#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v61 s SER 2 N 0.00 1.69 -0.56 1.61 0.01 -1.26 -5.10 113.70 110.08 1v61 s SER 2 Ca 0.00 -0.41 -0.21 0.00 1.31 0.00 0.00 55.95 56.64 1v61 s SER 2 Cb 0.00 0.27 0.07 0.00 0.21 0.00 0.00 66.02 66.57 1v61 s SER 2 CO 0.00 -0.35 0.78 -0.44 0.41 0.00 0.00 173.24 173.64 1v61 s SER 3 N 2.29 6.23 -0.67 2.44 0.01 -1.26 -4.99 113.70 117.75 1v61 s SER 3 Ca 0.07 -0.92 -0.27 0.00 1.31 0.00 0.00 55.95 56.13 1v61 s SER 3 Cb -0.16 -2.35 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1v61 s SER 3 CO -0.16 -1.12 1.52 -0.83 0.41 0.00 0.00 173.24 173.06 1v61 s GLY 4 N 3.12 0.63 -0.09 3.44 0.00 -1.26 -4.89 107.32 108.27 1v61 s GLY 4 Ca 0.19 -1.00 -0.32 0.00 0.00 0.00 0.00 44.72 43.58 1v61 s GLY 4 CO 0.12 2.96 1.18 -0.45 0.00 0.00 0.00 173.10 176.90 1v61 s SER 5 N 5.47 -0.14 0.41 1.64 0.15 -1.26 -5.16 113.70 114.80 1v61 s SER 5 Ca 0.49 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1v61 s SER 5 Cb -0.10 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1v61 s SER 5 CO 0.19 -0.35 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 1v61 n SER 6 N -0.26 -6.06 0.00 5.45 7.64 -1.26 -5.07 113.62 114.06 1v61 n SER 6 Ca -0.04 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1v61 n SER 6 Cb 0.60 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.26 1v61 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v61 n GLY 7 N -3.78 0.92 3.78 0.23 0.00 -1.26 -5.13 105.19 99.96 1v61 n GLY 7 Ca -0.05 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1v61 n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v61 s GLN 8 N 0.82 4.50 0.45 1.61 1.11 -1.26 -4.90 119.66 121.99 1v61 s GLN 8 Ca 0.00 1.42 0.30 0.00 0.01 0.00 0.00 55.36 57.09 1v61 s GLN 8 Cb 0.00 -2.80 1.41 0.00 -1.01 0.00 0.00 33.01 30.61 1v61 s GLN 8 CO 0.00 0.19 1.65 0.97 0.01 0.00 0.00 175.29 178.10 1v61 h ILE 9 N 2.58 0.18 0.00 1.08 2.10 -1.95 -3.37 117.51 118.12 1v61 h ILE 9 Ca -0.47 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1v61 h ILE 9 Cb 1.20 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1v61 h ILE 9 CO 0.65 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.74 1v61 n LEU 10 N -4.61 -1.11 0.19 2.19 -0.00 -1.26 -5.07 117.00 107.33 1v61 n LEU 10 Ca 0.36 0.46 0.00 0.00 -0.00 0.00 0.00 56.01 56.82 1v61 n LEU 10 Cb 1.39 1.19 0.00 0.00 -0.00 0.00 0.00 43.42 46.00 1v61 n LEU 10 CO 0.24 -0.45 0.00 -1.20 -0.00 0.00 0.00 177.39 175.98 1v61 n SER 11 N -3.19 -2.03 -4.95 1.45 7.64 -1.26 -5.09 113.62 106.18 1v61 n SER 11 Ca 0.00 0.69 -0.23 0.00 1.01 0.00 0.00 58.87 60.34 1v61 n SER 11 Cb 0.00 2.02 -0.00 0.00 -1.01 0.00 0.00 64.21 65.21 1v61 n SER 11 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1v61 s GLU 12 N -2.00 3.28 0.39 1.43 2.02 -1.26 -4.66 118.70 117.90 1v61 s GLU 12 Ca 0.00 -0.49 -0.07 0.00 0.02 0.00 0.00 54.97 54.43 1v61 s GLU 12 Cb 0.00 -2.65 0.09 0.00 0.10 0.00 0.00 34.13 31.67 1v61 s GLU 12 CO 0.00 -0.01 0.43 -0.35 0.02 0.00 0.00 175.26 175.35 1v61 n PRO 13 N -1.86 -1.10 -2.63 0.39 -0.04 -1.26 -4.26 135.00 124.23 1v61 n PRO 13 Ca -0.02 -0.67 -0.31 0.00 -0.04 0.00 0.00 63.50 62.46 1v61 n PRO 13 Cb 0.57 -0.53 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 1v61 n PRO 13 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1v61 s ILE 14 N -1.86 4.67 -0.20 0.52 1.01 -1.26 -4.52 121.20 119.55 1v61 s ILE 14 Ca 0.26 0.89 -0.07 0.00 0.00 0.00 0.00 60.65 61.73 1v61 s ILE 14 Cb -0.02 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1v61 s ILE 14 CO 0.19 -0.61 0.05 -1.58 0.00 0.00 0.00 174.94 173.00 1v61 s GLN 15 N -3.97 3.84 -0.60 2.79 0.74 0.73 -4.24 119.66 118.96 1v61 s GLN 15 Ca 0.55 -0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.55 1v61 s GLN 15 Cb -0.10 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.79 1v61 s GLN 15 CO 0.32 0.12 0.00 0.00 -0.55 0.00 0.00 175.29 175.18 1v61 n ALA 16 N 3.97 -0.09 -0.66 1.58 0.00 -1.26 0.21 120.51 124.26 1v61 n ALA 16 Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1v61 n ALA 16 Cb 0.52 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1v61 n ALA 16 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1v61 n TRP 17 N -2.88 0.00 -1.73 0.00 -0.00 -1.26 -4.59 117.44 106.98 1v61 n TRP 17 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.43 1v61 n TRP 17 Cb 0.20 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.31 31.33 1v61 n TRP 17 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1v61 n GLU 18 N -1.53 -1.65 0.00 5.87 -0.58 -1.26 -4.96 120.64 116.53 1v61 n GLU 18 Ca 0.00 1.55 0.00 0.00 -0.42 0.00 0.00 57.16 58.29 1v61 n GLU 18 Cb 0.00 -2.24 0.00 0.00 -0.57 0.00 0.00 31.44 28.63 1v61 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1v61 n GLY 19 N 0.60 -0.58 0.68 0.62 0.00 -1.26 -5.04 105.19 100.22 1v61 n GLY 19 Ca -0.10 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 1v61 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1v61 n ASP 20 N 0.00 1.25 -3.61 1.61 8.00 -1.26 -5.09 116.55 117.45 1v61 n ASP 20 Ca 0.00 0.19 -0.15 0.00 0.71 0.00 0.00 54.79 55.54 1v61 n ASP 20 Cb 0.00 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.59 1v61 n ASP 20 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1v61 s ASP 21 N -5.96 -0.72 0.15 -2.24 1.01 -1.26 -5.03 116.67 102.62 1v61 s ASP 21 Ca -0.12 1.27 0.12 0.00 0.71 0.00 0.00 52.55 54.53 1v61 s ASP 21 Cb 0.03 1.25 -0.11 0.00 1.01 0.00 0.00 42.92 45.10 1v61 s ASP 21 CO 0.17 -0.32 1.21 -0.29 0.21 0.00 0.00 175.17 176.15 1v61 h ILE 22 N 3.81 1.16 -0.00 0.77 2.10 -2.00 -3.08 117.51 120.27 1v61 h ILE 22 Ca -0.29 -2.73 0.00 0.00 1.08 0.00 0.00 64.86 62.92 1v61 h ILE 22 Cb 1.16 2.55 0.00 0.00 -1.09 0.00 0.00 36.82 39.43 1v61 h ILE 22 CO 0.13 0.66 -0.03 0.29 -1.08 0.00 0.00 178.15 178.12 1v61 n LYS 23 N -3.21 0.79 0.00 2.19 4.01 -1.26 -2.99 118.16 117.68 1v61 n LYS 23 Ca -0.02 -0.12 -0.02 0.00 -0.51 0.00 0.00 58.31 57.64 1v61 n LYS 23 Cb 0.87 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.78 1v61 n LYS 23 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1v61 n THR 24 N -1.00 1.20 0.00 -0.18 5.66 -1.17 -4.57 114.28 114.22 1v61 n THR 24 Ca 0.18 -0.72 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 1v61 n THR 24 Cb 0.21 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 1v61 n THR 24 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1v61 n LEU 25 N -2.85 1.21 -3.65 1.09 4.77 -1.16 -5.02 117.00 111.39 1v61 n LEU 25 Ca -0.14 0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1v61 n LEU 25 Cb 0.90 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.91 1v61 n LEU 25 CO 0.43 -0.01 1.04 -0.83 -1.33 0.00 0.00 177.39 176.70 1v61 s GLY 26 N -0.43 0.22 0.81 -0.72 0.00 -1.25 -5.05 107.32 100.89 1v61 s GLY 26 Ca 0.00 3.30 -0.16 0.00 0.00 0.00 0.00 44.72 47.85 1v61 s GLY 26 CO 0.00 1.92 -0.11 -2.01 0.00 0.00 0.00 173.10 172.90 1v61 n ASN 27 N 1.78 -3.60 -4.51 1.64 5.15 -1.26 -4.50 115.26 109.95 1v61 n ASN 27 Ca -0.11 0.42 -0.42 0.00 -0.60 0.00 0.00 54.58 53.87 1v61 n ASN 27 Cb 0.57 -0.97 -0.03 0.00 -0.53 0.00 0.00 39.78 38.81 1v61 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1v61 s VAL 28 N -2.04 4.03 0.00 3.44 1.01 -1.26 -4.08 120.40 121.51 1v61 s VAL 28 Ca 0.53 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1v61 s VAL 28 Cb -0.30 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.30 1v61 s VAL 28 CO 0.70 -1.60 0.73 -0.38 0.00 0.00 0.00 175.10 174.55 1v61 n ILE 29 N 6.20 0.00 -4.20 2.22 5.41 0.26 -4.67 119.36 124.58 1v61 n ILE 29 Ca 0.01 1.23 -0.31 0.00 1.00 0.00 0.00 62.75 64.68 1v61 n ILE 29 Cb 0.47 -2.13 -0.16 0.00 -0.71 0.00 0.00 39.64 37.11 1v61 n ILE 29 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1v61 s PHE 30 N -1.93 2.35 -0.14 1.39 2.19 -1.26 -5.00 117.98 115.58 1v61 s PHE 30 Ca 0.00 -1.30 0.01 0.00 0.33 0.00 0.00 56.93 55.97 1v61 s PHE 30 Cb 0.00 -1.68 0.02 0.00 -1.31 0.00 0.00 43.02 40.05 1v61 s PHE 30 CO 0.00 -0.67 -0.15 1.41 1.83 0.00 0.00 175.22 177.64 1v61 s MET 31 N 1.27 2.36 0.19 10.12 -2.45 -1.26 -3.42 119.30 126.11 1v61 s MET 31 Ca 0.02 -0.59 -0.23 0.00 -1.25 0.00 0.00 55.69 53.64 1v61 s MET 31 Cb -0.14 -2.11 0.06 0.00 1.25 0.00 0.00 34.83 33.89 1v61 s MET 31 CO -0.09 -0.19 0.65 -1.12 1.05 0.00 0.00 175.02 175.32 1v61 s SER 32 N 1.34 -0.47 -0.48 1.11 0.01 -1.26 -5.06 113.70 108.89 1v61 s SER 32 Ca 0.02 -0.19 -0.28 0.00 1.31 0.00 0.00 55.95 56.81 1v61 s SER 32 Cb -0.13 0.63 0.03 0.00 0.21 0.00 0.00 66.02 66.76 1v61 s SER 32 CO -0.09 -1.07 1.11 -1.58 0.41 0.00 0.00 173.24 172.02 1v61 s GLN 33 N -3.78 3.69 0.51 12.44 0.74 -1.26 -3.54 119.66 128.45 1v61 s GLN 33 Ca 0.04 0.49 0.08 0.00 0.05 0.00 0.00 55.36 56.02 1v61 s GLN 33 Cb -0.02 -3.92 0.03 0.00 1.10 0.00 0.00 33.01 30.20 1v61 s GLN 33 CO -0.07 -1.38 0.53 0.14 -0.55 0.00 0.00 175.29 173.96 1v61 s VAL 34 N 4.40 2.19 -0.26 1.34 -7.23 -0.01 -4.92 120.40 115.91 1v61 s VAL 34 Ca 0.46 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 1v61 s VAL 34 Cb -0.07 -2.45 0.07 0.00 0.56 0.00 0.00 36.38 34.48 1v61 s VAL 34 CO 0.31 0.00 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.37 1v61 s VAL 35 N -2.62 1.67 -0.09 1.32 1.01 -1.26 -0.55 120.40 119.88 1v61 s VAL 35 Ca 0.48 -1.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 1v61 s VAL 35 Cb -0.04 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1v61 s VAL 35 CO 0.29 -0.20 -0.05 -0.32 0.00 0.00 0.00 175.10 174.82 1v61 s MET 36 N 1.31 1.15 0.33 2.72 -2.45 0.53 -0.30 119.30 122.59 1v61 s MET 36 Ca -0.03 -0.12 0.03 0.00 -1.25 0.00 0.00 55.69 54.32 1v61 s MET 36 Cb -0.19 -1.28 -0.04 0.00 1.25 0.00 0.00 34.83 34.57 1v61 s MET 36 CO -0.08 -0.24 0.12 -1.14 1.05 0.00 0.00 175.02 174.73 1v61 s GLN 37 N 1.63 1.68 0.03 4.11 -0.44 -1.26 -4.26 119.66 121.16 1v61 s GLN 37 Ca 0.02 -1.97 -0.25 0.00 -2.50 0.00 0.00 55.36 50.66 1v61 s GLN 37 Cb -0.13 -0.46 -0.18 0.00 -1.64 0.00 0.00 33.01 30.60 1v61 s GLN 37 CO -0.05 -0.37 1.49 1.25 0.50 0.00 0.00 175.29 178.10 1v61 h HIS 38 N 2.08 -0.02 0.00 1.67 6.17 -1.95 -3.38 115.15 119.72 1v61 h HIS 38 Ca -0.37 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.71 1v61 h HIS 38 Cb 1.26 0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.19 1v61 h HIS 38 CO 0.98 0.23 0.00 0.41 0.71 0.00 0.00 177.93 180.26 1v61 n GLY 39 N -0.42 -0.64 1.68 5.26 0.00 -1.26 -4.93 105.19 104.88 1v61 n GLY 39 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1v61 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v61 n ALA 40 N -1.25 2.59 -0.31 4.61 0.00 -1.26 -5.06 120.51 119.82 1v61 n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1v61 n ALA 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1v61 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v61 h GLU 42 N 0.00 -0.22 0.00 0.00 5.08 -2.08 -3.45 114.58 113.90 1v61 h GLU 42 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1v61 h GLU 42 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1v61 h GLU 42 CO 0.00 -0.15 0.00 0.39 -1.00 0.00 0.00 179.01 178.25 1v61 n GLU 43 N -5.41 0.00 -1.71 2.33 -0.58 -1.19 -5.16 120.64 108.93 1v61 n GLU 43 Ca 0.01 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.46 1v61 n GLU 43 Cb 0.32 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.30 1v61 n GLU 43 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1v61 s LYS 44 N -1.89 1.73 -0.32 3.49 -2.85 -1.26 -4.78 119.74 113.85 1v61 s LYS 44 Ca 0.00 0.28 0.04 0.00 -1.00 0.00 0.00 55.97 55.29 1v61 s LYS 44 Cb 0.00 -1.91 0.09 0.00 -2.06 0.00 0.00 37.83 33.95 1v61 s LYS 44 CO 0.00 -1.79 0.02 -2.00 0.10 0.00 0.00 175.35 171.68 1v61 s GLU 45 N -5.38 1.62 0.35 1.78 2.56 -1.26 -5.00 118.70 113.36 1v61 s GLU 45 Ca 0.62 -1.74 -0.25 0.00 0.00 0.00 0.00 54.97 53.60 1v61 s GLU 45 Cb -0.13 -3.11 -0.10 0.00 2.00 0.00 0.00 34.13 32.79 1v61 s GLU 45 CO 0.52 -0.86 0.95 -1.21 -0.56 0.00 0.00 175.26 174.09 1v61 s GLU 46 N 0.96 4.50 0.31 4.30 2.02 -1.26 0.20 118.70 129.73 1v61 s GLU 46 Ca 0.07 1.29 -0.18 0.00 0.02 0.00 0.00 54.97 56.16 1v61 s GLU 46 Cb -0.19 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.44 1v61 s GLU 46 CO -0.08 0.20 0.87 1.03 0.02 0.00 0.00 175.26 177.30 1v61 s ARG 47 N -2.31 1.89 -0.11 1.61 0.52 0.29 -4.84 118.95 116.00 1v61 s ARG 47 Ca 0.53 -1.20 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1v61 s ARG 47 Cb -0.17 0.54 -0.01 0.00 0.52 0.00 0.00 34.95 35.84 1v61 s ARG 47 CO 0.22 -0.88 -0.19 -0.47 0.02 0.00 0.00 175.30 173.99 1v61 s TYR 48 N -2.43 2.67 -0.19 -0.53 5.04 -1.00 -0.83 117.35 120.08 1v61 s TYR 48 Ca 0.17 -0.83 0.01 0.00 -2.44 0.00 0.00 57.07 53.98 1v61 s TYR 48 Cb -0.04 -1.76 0.02 0.00 0.35 0.00 0.00 41.96 40.53 1v61 s TYR 48 CO 0.09 -0.30 -0.18 -0.06 -1.34 0.00 0.00 175.55 173.76 1v61 s PHE 49 N 0.30 2.85 -0.32 4.97 0.40 -1.23 -1.32 117.98 123.63 1v61 s PHE 49 Ca -0.14 -1.68 -0.07 0.00 -0.60 0.00 0.00 56.93 54.44 1v61 s PHE 49 Cb -0.17 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.46 1v61 s PHE 49 CO 0.07 -0.80 0.09 -0.51 0.70 0.00 0.00 175.22 174.77 1v61 s LEU 50 N 1.28 4.13 -0.29 -0.37 1.43 0.21 -3.99 118.68 121.08 1v61 s LEU 50 Ca 0.03 -0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 51.94 1v61 s LEU 50 Cb -0.14 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1v61 s LEU 50 CO -0.11 -0.27 0.72 -0.22 0.23 0.00 0.00 176.35 176.69 1v61 s LEU 51 N 1.44 4.10 0.00 1.79 2.96 -1.22 -0.83 118.68 126.92 1v61 s LEU 51 Ca -0.00 0.64 0.22 0.00 -0.22 0.00 0.00 54.13 54.77 1v61 s LEU 51 Cb -0.19 -2.98 0.36 0.00 0.50 0.00 0.00 46.19 43.89 1v61 s LEU 51 CO 0.03 -0.52 1.33 0.49 -1.32 0.00 0.00 176.35 176.35 1v61 n PHE 52 N 6.00 0.39 -2.69 5.38 3.01 -0.80 0.89 117.46 129.65 1v61 n PHE 52 Ca 0.02 -0.22 -0.07 0.00 1.01 0.00 0.00 57.45 58.19 1v61 n PHE 52 Cb 0.48 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.98 1v61 n PHE 52 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1v61 n SER 53 N 1.35 -2.79 0.00 4.37 3.41 -1.26 -4.35 113.62 114.34 1v61 n SER 53 Ca 0.17 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1v61 n SER 53 Cb 0.57 -2.06 0.00 0.00 -0.26 0.00 0.00 64.21 62.46 1v61 n SER 53 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1v61 n SER 54 N -0.85 0.00 -3.85 4.04 7.64 -1.26 -5.04 113.62 114.30 1v61 n SER 54 Ca -0.05 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.72 1v61 n SER 54 Cb 0.54 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.62 1v61 n SER 54 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1v61 s VAL 55 N 0.00 0.03 -0.64 0.44 0.11 -1.26 0.19 120.40 119.28 1v61 s VAL 55 Ca 0.00 -0.27 -0.10 0.00 -2.93 0.00 0.00 61.98 58.67 1v61 s VAL 55 Cb 0.00 -0.28 0.17 0.00 -1.53 0.00 0.00 36.38 34.74 1v61 s VAL 55 CO 0.00 -0.15 0.53 -0.22 -3.33 0.00 0.00 175.10 171.93 1v61 s LEU 56 N -0.48 6.03 0.07 2.54 1.98 0.38 -1.91 118.68 127.29 1v61 s LEU 56 Ca -0.06 -2.39 -0.30 0.00 -2.89 0.00 0.00 54.13 48.49 1v61 s LEU 56 Cb -0.04 -2.07 -0.05 0.00 0.66 0.00 0.00 46.19 44.69 1v61 s LEU 56 CO 0.01 -0.60 1.11 -0.63 -1.89 0.00 0.00 176.35 174.35 1v61 s ILE 57 N 0.65 4.26 -0.10 6.68 -1.09 -0.01 -1.88 121.20 129.70 1v61 s ILE 57 Ca 0.12 1.68 0.04 0.00 -2.23 0.00 0.00 60.65 60.26 1v61 s ILE 57 Cb -0.20 -4.08 -0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1v61 s ILE 57 CO -0.04 0.17 -0.22 -0.04 -1.23 0.00 0.00 174.94 173.58 1v61 s MET 58 N 0.74 3.03 0.25 2.79 -1.94 -1.06 0.68 119.30 123.78 1v61 s MET 58 Ca 0.55 -0.85 0.12 0.00 -1.71 0.00 0.00 55.69 53.80 1v61 s MET 58 Cb -0.27 -2.34 -0.05 0.00 2.01 0.00 0.00 34.83 34.18 1v61 s MET 58 CO 0.30 0.22 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.81 1v61 s LEU 59 N 0.25 2.54 0.11 -0.03 1.02 -0.43 -2.57 118.68 119.56 1v61 s LEU 59 Ca -0.15 -0.96 0.10 0.00 0.02 0.00 0.00 54.13 53.14 1v61 s LEU 59 Cb -0.17 -1.14 -0.04 0.00 0.02 0.00 0.00 46.19 44.87 1v61 s LEU 59 CO 0.07 0.07 -0.25 -0.55 0.02 0.00 0.00 176.35 175.72 1v61 s SER 60 N -3.18 3.44 -0.18 2.29 0.15 0.52 -2.37 113.70 114.37 1v61 s SER 60 Ca 0.26 -0.67 -0.11 0.00 0.70 0.00 0.00 55.95 56.14 1v61 s SER 60 Cb -0.06 -0.32 0.06 0.00 -1.71 0.00 0.00 66.02 63.99 1v61 s SER 60 CO 0.13 0.19 0.44 0.00 1.20 0.00 0.00 173.24 175.21 1v61 s ALA 61 N -1.04 -1.14 0.31 5.45 0.00 -1.26 -1.75 121.76 122.33 1v61 s ALA 61 Ca 0.15 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.73 1v61 s ALA 61 Cb -0.10 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 1v61 s ALA 61 CO 0.06 -0.27 0.10 -1.12 0.00 0.00 0.00 175.76 174.53 1v61 s SER 62 N 1.30 1.87 -1.17 0.00 0.01 -1.26 -5.01 113.70 109.44 1v61 s SER 62 Ca -0.09 -1.46 -0.12 0.00 1.31 0.00 0.00 55.95 55.59 1v61 s SER 62 Cb -0.07 0.19 -0.07 0.00 0.21 0.00 0.00 66.02 66.28 1v61 s SER 62 CO -0.12 -0.76 2.31 -0.81 0.41 0.00 0.00 173.24 174.28 1v61 n PRO 63 N -0.63 2.52 -3.94 12.44 -0.04 -1.26 -4.77 135.00 139.32 1v61 n PRO 63 Ca -0.01 -1.94 -0.09 0.00 -0.04 0.00 0.00 63.50 61.41 1v61 n PRO 63 Cb 0.66 -2.80 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 1v61 n PRO 63 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1v61 s ARG 64 N 3.39 1.74 -0.38 0.54 0.52 -1.26 -5.12 118.95 118.39 1v61 s ARG 64 Ca 0.52 -1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.19 1v61 s ARG 64 Cb 0.14 0.53 0.01 0.00 0.52 0.00 0.00 34.95 36.14 1v61 s ARG 64 CO -0.02 -0.76 1.43 1.41 0.02 0.00 0.00 175.30 177.38 1v61 s MET 65 N -3.67 3.62 0.00 3.54 -2.45 -1.26 -4.86 119.30 114.22 1v61 s MET 65 Ca 0.19 1.04 0.00 0.00 -1.25 0.00 0.00 55.69 55.67 1v61 s MET 65 Cb -0.03 -4.01 0.00 0.00 1.25 0.00 0.00 34.83 32.04 1v61 s MET 65 CO 0.10 -1.51 0.00 0.45 1.05 0.00 0.00 175.02 175.11 1v61 n SER 66 N 8.71 0.00 0.00 1.11 2.88 -1.26 -5.14 113.62 119.92 1v61 n SER 66 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1v61 n SER 66 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1v61 n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v61 n GLY 67 N -0.32 -2.67 3.71 0.46 0.00 -1.26 -4.80 105.19 100.30 1v61 n GLY 67 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 1v61 n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1v61 s PHE 68 N 0.00 3.07 -0.16 1.61 0.08 -1.26 -4.67 117.98 116.64 1v61 s PHE 68 Ca 0.00 0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.10 1v61 s PHE 68 Cb 0.00 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1v61 s PHE 68 CO 0.00 0.48 -0.18 1.41 -0.10 0.00 0.00 175.22 176.83 1v61 s MET 69 N -2.08 2.73 -0.15 0.44 -2.45 -0.72 -0.19 119.30 116.87 1v61 s MET 69 Ca 0.25 -0.73 -0.29 0.00 -1.25 0.00 0.00 55.69 53.66 1v61 s MET 69 Cb -0.12 -2.35 -0.02 0.00 1.25 0.00 0.00 34.83 33.59 1v61 s MET 69 CO 0.17 -0.17 1.37 -0.47 1.05 0.00 0.00 175.02 176.96 1v61 s TYR 70 N 1.24 2.61 -0.12 4.11 6.14 0.57 -0.35 117.35 131.54 1v61 s TYR 70 Ca 0.02 0.80 -0.10 0.00 0.64 0.00 0.00 57.07 58.42 1v61 s TYR 70 Cb -0.14 -3.64 -0.03 0.00 0.42 0.00 0.00 41.96 38.57 1v61 s TYR 70 CO -0.09 -2.24 -0.20 1.04 0.64 0.00 0.00 175.55 174.70 1v61 n GLN 71 N 6.82 0.38 -3.86 4.97 1.13 -1.06 -4.69 117.38 121.07 1v61 n GLN 71 Ca 0.15 0.34 -0.09 0.00 -1.94 0.00 0.00 57.00 55.46 1v61 n GLN 71 Cb 0.44 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 29.37 1v61 n GLN 71 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1v61 s GLY 72 N -4.13 0.14 -0.04 1.08 0.00 -1.26 -5.08 107.32 98.03 1v61 s GLY 72 Ca -0.16 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.09 1v61 s GLY 72 CO 0.24 -0.36 -0.08 -1.59 0.00 0.00 0.00 173.10 171.31 1v61 s LYS 73 N -3.94 1.09 -0.29 2.90 -2.85 -1.26 -2.58 119.74 112.82 1v61 s LYS 73 Ca 0.14 -0.26 -0.08 0.00 -1.00 0.00 0.00 55.97 54.77 1v61 s LYS 73 Cb -0.02 -1.00 -0.01 0.00 -2.06 0.00 0.00 37.83 34.75 1v61 s LYS 73 CO 0.04 0.03 0.11 0.42 0.10 0.00 0.00 175.35 176.04 1v61 s ILE 74 N 0.54 4.32 -0.05 3.79 1.01 -0.79 -4.88 121.20 125.14 1v61 s ILE 74 Ca -0.09 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1v61 s ILE 74 Cb -0.12 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1v61 s ILE 74 CO 0.01 0.13 1.22 -2.16 0.00 0.00 0.00 174.94 174.13 1v61 s PRO 75 N 1.57 4.35 0.60 2.79 0.04 -1.26 0.14 135.00 143.24 1v61 s PRO 75 Ca 0.04 1.70 0.28 0.00 0.04 0.00 0.00 61.00 63.06 1v61 s PRO 75 Cb -0.17 -3.55 1.43 0.00 0.04 0.00 0.00 34.50 32.25 1v61 s PRO 75 CO 0.04 -0.45 1.84 0.82 0.04 0.00 0.00 177.00 179.29 1v61 h ILE 76 N 4.99 0.27 0.49 0.56 1.08 0.18 0.18 117.51 125.27 1v61 h ILE 76 Ca -0.35 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 1v61 h ILE 76 Cb 1.16 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 1v61 h ILE 76 CO 0.88 0.00 -0.27 0.00 -0.69 0.00 0.00 178.15 178.07 1v61 h ALA 77 N 1.34 -1.15 -0.15 1.87 0.00 -1.90 -2.58 119.26 116.69 1v61 h ALA 77 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1v61 h ALA 77 Cb 1.25 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1v61 h ALA 77 CO -0.00 -1.11 0.00 0.41 0.00 0.00 0.00 179.25 178.55 1v61 n GLY 78 N -1.35 0.16 3.84 0.00 0.00 -0.43 -4.86 105.19 102.54 1v61 n GLY 78 Ca -0.09 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1v61 n GLY 78 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1v61 s MET 79 N -1.70 4.09 -0.20 1.61 0.00 0.51 -3.70 119.30 119.90 1v61 s MET 79 Ca 0.11 0.73 -0.04 0.00 0.00 0.00 0.00 55.69 56.49 1v61 s MET 79 Cb 0.06 -2.63 0.07 0.00 0.00 0.00 0.00 34.83 32.33 1v61 s MET 79 CO 0.06 0.26 0.08 0.08 0.00 0.00 0.00 175.02 175.51 1v61 s VAL 80 N -1.78 0.16 0.15 10.11 1.01 -0.26 -4.90 120.40 124.88 1v61 s VAL 80 Ca 0.49 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.12 1v61 s VAL 80 Cb -0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1v61 s VAL 80 CO 0.19 -0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 174.04 1v61 s VAL 81 N 2.02 2.62 0.00 2.92 1.01 -1.26 -2.20 120.40 125.52 1v61 s VAL 81 Ca 0.03 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1v61 s VAL 81 Cb -0.16 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1v61 s VAL 81 CO -0.14 0.01 0.00 -0.46 0.00 0.00 0.00 175.10 174.51 1v61 n ASN 82 N 0.57 0.00 -2.98 3.32 0.23 -1.25 -4.67 115.26 110.48 1v61 n ASN 82 Ca -0.15 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.68 1v61 n ASN 82 Cb 0.54 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.20 1v61 n ASN 82 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1v61 n ARG 83 N -0.17 2.27 -3.48 -3.83 0.63 -1.26 -3.61 116.66 107.20 1v61 n ARG 83 Ca 0.00 -1.44 -0.36 0.00 -0.92 0.00 0.00 57.85 55.12 1v61 n ARG 83 Cb 0.00 -2.39 0.04 0.00 0.45 0.00 0.00 32.46 30.56 1v61 n ARG 83 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1v61 n LEU 84 N 3.73 -2.62 -0.15 6.15 7.99 -1.26 -4.48 117.00 126.36 1v61 n LEU 84 Ca 0.48 -0.11 0.12 0.00 -0.01 0.00 0.00 56.01 56.49 1v61 n LEU 84 Cb 0.26 -1.61 0.61 0.00 -0.11 0.00 0.00 43.42 42.57 1v61 n LEU 84 CO 0.62 -0.14 0.90 -0.67 -1.51 0.00 0.00 177.39 176.59 1v61 n ASP 85 N -0.06 0.47 -0.02 -1.43 2.03 -1.26 -3.11 116.55 113.16 1v61 n ASP 85 Ca -0.08 -1.38 0.14 0.00 0.52 0.00 0.00 54.79 53.99 1v61 n ASP 85 Cb 0.67 -0.02 0.67 0.00 -0.72 0.00 0.00 41.12 41.72 1v61 n ASP 85 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1v61 n GLU 86 N -0.53 0.36 0.00 -0.67 1.02 -1.26 -4.80 120.64 114.75 1v61 n GLU 86 Ca 0.17 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1v61 n GLU 86 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1v61 n GLU 86 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1v61 n ILE 87 N -1.28 0.00 -3.25 -3.67 2.08 -1.18 -5.08 119.36 106.98 1v61 n ILE 87 Ca 0.12 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.19 1v61 n ILE 87 Cb 0.28 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.10 1v61 n ILE 87 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1v61 n GLU 88 N 0.00 1.52 -1.05 0.38 1.02 -1.26 -5.03 120.64 116.22 1v61 n GLU 88 Ca 0.00 -3.83 0.00 0.00 -0.02 0.00 0.00 57.16 53.31 1v61 n GLU 88 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1v61 n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v61 n GLY 89 N 0.99 -3.77 3.46 0.62 0.00 -1.26 -5.11 105.19 100.12 1v61 n GLY 89 Ca 0.25 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1v61 n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v61 s SER 90 N -0.12 -0.68 -0.26 1.61 0.15 -1.26 -5.13 113.70 108.01 1v61 s SER 90 Ca 0.00 0.94 0.03 0.00 0.70 0.00 0.00 55.95 57.61 1v61 s SER 90 Cb 0.00 1.75 0.06 0.00 -1.71 0.00 0.00 66.02 66.12 1v61 s SER 90 CO 0.00 -0.13 -0.09 -1.81 1.20 0.00 0.00 173.24 172.41 1v61 s ASP 91 N 2.47 4.34 0.00 5.45 1.11 -1.26 -4.67 116.67 124.11 1v61 s ASP 91 Ca -0.03 -1.38 0.00 0.00 0.18 0.00 0.00 52.55 51.32 1v61 s ASP 91 Cb -0.07 -1.48 0.00 0.00 1.07 0.00 0.00 42.92 42.44 1v61 s ASP 91 CO -0.18 -0.21 0.00 0.00 1.18 0.00 0.00 175.17 175.97 1v61 s MET 93 N -1.56 0.80 0.39 0.00 0.23 -1.26 -4.64 119.30 113.26 1v61 s MET 93 Ca 0.00 -1.34 0.04 0.00 -1.03 0.00 0.00 55.69 53.35 1v61 s MET 93 Cb 0.00 0.12 -0.03 0.00 -1.53 0.00 0.00 34.83 33.39 1v61 s MET 93 CO 0.00 -0.15 0.13 -0.59 -2.03 0.00 0.00 175.02 172.37 1v61 s PHE 94 N -3.90 1.78 0.08 3.16 -0.12 -1.26 -4.40 117.98 113.33 1v61 s PHE 94 Ca 0.15 -1.26 0.06 0.00 -0.05 0.00 0.00 56.93 55.84 1v61 s PHE 94 Cb 0.07 -1.13 -0.03 0.00 -0.63 0.00 0.00 43.02 41.30 1v61 s PHE 94 CO -0.04 -0.29 -0.16 -1.83 -0.05 0.00 0.00 175.22 172.84 1v61 s GLU 95 N -3.74 0.92 -0.45 1.99 -1.05 -1.24 -3.02 118.70 112.11 1v61 s GLU 95 Ca 0.27 -1.03 0.03 0.00 -0.15 0.00 0.00 54.97 54.09 1v61 s GLU 95 Cb 0.04 -1.01 0.13 0.00 -0.44 0.00 0.00 34.13 32.84 1v61 s GLU 95 CO 0.15 0.23 0.21 0.42 0.95 0.00 0.00 175.26 177.22 1v61 s ILE 96 N -1.25 2.01 0.33 1.83 1.01 -0.22 -3.96 121.20 120.95 1v61 s ILE 96 Ca 0.01 -2.80 0.05 0.00 0.00 0.00 0.00 60.65 57.91 1v61 s ILE 96 Cb -0.10 -2.42 0.05 0.00 0.01 0.00 0.00 42.46 40.00 1v61 s ILE 96 CO 0.03 -0.80 0.38 0.35 0.00 0.00 0.00 174.94 174.90 1v61 n THR 97 N 3.52 0.00 0.00 2.92 -2.24 -0.93 -2.97 114.28 114.58 1v61 n THR 97 Ca 0.06 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1v61 n THR 97 Cb 0.35 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1v61 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v61 n GLY 98 N 0.96 0.00 0.00 3.38 0.00 -1.24 -1.10 105.19 107.18 1v61 n GLY 98 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1v61 n GLY 98 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v61 n SER 99 N 0.00 0.00 0.29 1.61 2.88 -1.26 -4.80 113.62 112.34 1v61 n SER 99 Ca 0.00 -0.80 -0.17 0.00 -1.33 0.00 0.00 58.87 56.57 1v61 n SER 99 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1v61 n SER 99 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1v61 h THR 100 N 0.80 0.34 -0.42 2.46 2.02 -2.02 -3.40 112.91 112.69 1v61 h THR 100 Ca 0.00 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.89 1v61 h THR 100 Cb 0.00 0.34 -0.20 0.00 -1.74 0.00 0.00 68.15 66.55 1v61 h THR 100 CO 0.00 0.00 -0.61 0.52 0.37 0.00 0.00 175.52 175.80 1v61 n VAL 101 N -5.46 -0.10 -4.50 3.16 0.31 -1.26 -5.13 118.33 105.35 1v61 n VAL 101 Ca -0.12 -2.08 -0.24 0.00 -0.01 0.00 0.00 64.34 61.90 1v61 n VAL 101 Cb 0.35 0.92 -0.14 0.00 -0.91 0.00 0.00 33.84 34.07 1v61 n VAL 101 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1v61 s GLU 102 N 0.05 1.22 -0.09 5.55 2.56 -1.26 -5.14 118.70 121.59 1v61 s GLU 102 Ca 0.30 -0.92 -0.06 0.00 0.00 0.00 0.00 54.97 54.29 1v61 s GLU 102 Cb 0.25 -1.32 0.03 0.00 2.00 0.00 0.00 34.13 35.09 1v61 s GLU 102 CO -0.15 0.33 0.22 0.50 -0.56 0.00 0.00 175.26 175.59 1v61 s ARG 103 N -1.28 0.21 -0.32 4.30 3.52 -1.26 -4.26 118.95 119.85 1v61 s ARG 103 Ca 0.06 0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 56.04 1v61 s ARG 103 Cb -0.09 -0.03 0.06 0.00 -1.56 0.00 0.00 34.95 33.34 1v61 s ARG 103 CO 0.02 -0.11 0.04 0.42 -0.81 0.00 0.00 175.30 174.87 1v61 s ILE 104 N 0.76 3.01 -0.70 4.11 1.01 -1.16 -4.88 121.20 123.35 1v61 s ILE 104 Ca -0.05 -1.57 -0.21 0.00 0.00 0.00 0.00 60.65 58.82 1v61 s ILE 104 Cb -0.07 -2.82 0.09 0.00 0.01 0.00 0.00 42.46 39.67 1v61 s ILE 104 CO -0.04 -0.25 0.94 -0.69 0.00 0.00 0.00 174.94 174.90 1v61 s VAL 105 N 1.21 4.53 -0.22 2.92 1.01 -1.26 -1.06 120.40 127.54 1v61 s VAL 105 Ca -0.02 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1v61 s VAL 105 Cb -0.20 -4.66 -0.02 0.00 0.00 0.00 0.00 36.38 31.50 1v61 s VAL 105 CO -0.02 -1.40 0.72 -0.69 0.00 0.00 0.00 175.10 173.71 1v61 s VAL 106 N 3.44 4.94 0.57 2.92 1.01 -1.17 -3.99 120.40 128.13 1v61 s VAL 106 Ca 0.22 1.35 -0.16 0.00 0.00 0.00 0.00 61.98 63.40 1v61 s VAL 106 Cb -0.16 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1v61 s VAL 106 CO 0.05 0.03 1.03 -1.00 0.00 0.00 0.00 175.10 175.21 1v61 s HIS 107 N 2.31 3.18 -0.22 5.22 3.76 0.59 -4.13 115.29 126.01 1v61 s HIS 107 Ca 0.31 1.48 -0.14 0.00 -0.15 0.00 0.00 55.06 56.56 1v61 s HIS 107 Cb -0.16 -2.92 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 1v61 s HIS 107 CO 0.10 -0.85 0.34 0.00 -0.85 0.00 0.00 174.74 173.47 1v61 h ASN 109 N 7.46 -0.64 0.00 0.00 2.35 -1.95 -3.43 115.58 119.37 1v61 h ASN 109 Ca -0.36 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1v61 h ASN 109 Cb 1.16 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.81 1v61 h ASN 109 CO 0.70 -0.27 0.00 -3.20 -1.65 0.00 0.00 177.43 173.01 1v61 n ASN 110 N -5.34 -0.27 0.00 5.81 5.15 -1.26 -5.08 115.26 114.27 1v61 n ASN 110 Ca -0.04 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 1v61 n ASN 110 Cb 0.26 0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 1v61 n ASN 110 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1v61 n ASN 111 N -3.22 0.00 0.45 1.20 5.15 -1.26 -5.00 115.26 112.58 1v61 n ASN 111 Ca 0.00 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.81 1v61 n ASN 111 Cb 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.17 1v61 n ASN 111 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1v61 h GLN 112 N 0.00 -1.10 -0.68 1.20 4.20 -1.98 0.14 115.11 116.89 1v61 h GLN 112 Ca 0.00 0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.85 1v61 h GLN 112 Cb 0.00 0.25 -0.08 0.00 0.30 0.00 0.00 27.48 27.95 1v61 h GLN 112 CO 0.00 -0.73 -0.41 -0.44 -0.67 0.00 0.00 178.83 176.58 1v61 h ASP 113 N -1.18 -1.50 -0.18 1.46 5.19 -1.99 0.82 116.42 119.04 1v61 h ASP 113 Ca -0.12 0.23 0.05 0.00 -0.62 0.00 0.00 57.03 56.57 1v61 h ASP 113 Cb 0.87 0.66 -0.07 0.00 0.18 0.00 0.00 39.33 40.98 1v61 h ASP 113 CO 0.19 -0.17 -0.29 0.15 -3.12 0.00 0.00 179.24 176.00 1v61 h PHE 114 N -0.01 -0.81 0.00 4.55 3.04 -1.89 -1.70 116.94 120.12 1v61 h PHE 114 Ca 0.11 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1v61 h PHE 114 Cb 0.29 0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1v61 h PHE 114 CO -0.99 -0.37 0.00 0.94 -2.02 0.00 0.00 178.31 175.87 1v61 n GLN 115 N -5.40 0.00 -0.16 1.11 0.00 0.48 0.12 117.38 113.54 1v61 n GLN 115 Ca -0.02 0.75 -0.12 0.00 -0.00 0.00 0.00 57.00 57.61 1v61 n GLN 115 Cb 0.31 -1.18 -0.08 0.00 0.00 0.00 0.00 30.24 29.29 1v61 n GLN 115 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1v61 h GLU 116 N 0.00 -0.33 -0.12 3.69 4.39 -1.15 1.07 114.58 122.13 1v61 h GLU 116 Ca 0.00 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1v61 h GLU 116 Cb 0.00 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1v61 h GLU 116 CO 0.00 -0.22 -0.10 -1.49 -1.16 0.00 0.00 179.01 176.04 1v61 h TRP 117 N -0.35 -0.32 0.00 4.33 4.06 -0.16 1.64 115.95 125.15 1v61 h TRP 117 Ca 0.10 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.07 1v61 h TRP 117 Cb 0.58 0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 1v61 h TRP 117 CO -0.72 -0.08 0.25 0.00 -3.56 0.00 0.00 178.44 174.33 1v61 h MET 118 N -0.04 0.00 0.00 0.49 -0.00 0.18 -1.33 114.93 114.23 1v61 h MET 118 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 1v61 h MET 118 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 1v61 h MET 118 CO -0.13 0.00 0.00 -1.91 -0.00 0.00 0.00 176.91 174.87 1v61 n GLU 119 N -2.83 0.00 -0.16 -0.10 0.00 0.51 -2.73 120.64 115.32 1v61 n GLU 119 Ca -0.02 0.47 -0.07 0.00 0.00 0.00 0.00 57.16 57.54 1v61 n GLU 119 Cb 0.30 -1.08 -0.01 0.00 0.00 0.00 0.00 31.44 30.66 1v61 n GLU 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1v61 h GLN 120 N 0.00 -0.20 -0.75 5.31 3.07 0.39 0.67 115.11 123.59 1v61 h GLN 120 Ca 0.00 0.01 0.14 0.00 0.09 0.00 0.00 58.65 58.89 1v61 h GLN 120 Cb 0.00 0.05 -0.14 0.00 0.08 0.00 0.00 27.48 27.47 1v61 h GLN 120 CO 0.00 -0.14 -0.27 -0.07 0.09 0.00 0.00 178.83 178.44 1v61 h LEU 121 N -0.21 -0.99 -1.50 0.06 3.38 -1.42 1.96 115.31 116.59 1v61 h LEU 121 Ca 0.20 0.25 0.29 0.00 0.09 0.00 0.00 57.88 58.70 1v61 h LEU 121 Cb 0.54 0.56 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1v61 h LEU 121 CO -0.61 -0.28 0.71 -1.13 0.09 0.00 0.00 178.44 177.22 1v61 h ASN 122 N -0.06 0.34 0.00 -0.43 -0.73 -0.68 0.85 115.58 114.88 1v61 h ASN 122 Ca 0.32 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.55 1v61 h ASN 122 Cb 0.57 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.18 1v61 h ASN 122 CO -0.80 0.05 -0.19 -0.09 -0.37 0.00 0.00 177.43 176.04 1v61 h ARG 123 N 0.29 0.00 -0.44 6.67 2.43 0.30 -0.51 114.38 123.12 1v61 h ARG 123 Ca 0.59 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.84 1v61 h ARG 123 Cb 1.70 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 31.16 1v61 h ARG 123 CO -0.24 0.16 -0.44 -0.07 -1.51 0.00 0.00 179.97 177.87 1v61 h LEU 124 N -1.00 -1.47 0.36 3.80 3.38 0.17 -2.96 115.31 117.60 1v61 h LEU 124 Ca -0.02 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1v61 h LEU 124 Cb 0.30 0.64 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1v61 h LEU 124 CO -0.01 -0.36 -0.17 0.71 0.09 0.00 0.00 178.44 178.69 1v61 h THR 125 N -0.31 0.00 -3.16 0.22 1.35 0.52 -3.47 112.91 108.06 1v61 h THR 125 Ca 0.14 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1v61 h THR 125 Cb 0.58 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 1v61 h THR 125 CO -0.60 0.00 -0.24 1.17 -0.25 0.00 0.00 175.52 175.60 1v61 n LYS 126 N -4.00 -0.74 -0.03 4.72 4.81 -0.20 -4.98 118.16 117.73 1v61 n LYS 126 Ca -0.06 0.98 -0.04 0.00 -0.87 0.00 0.00 58.31 58.32 1v61 n LYS 126 Cb 0.19 -1.56 -0.01 0.00 0.02 0.00 0.00 35.03 33.67 1v61 n LYS 126 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1v61 n SER 127 N 0.27 0.96 -4.29 3.14 7.64 -1.26 -5.02 113.62 115.07 1v61 n SER 127 Ca -0.06 0.16 -0.19 0.00 1.01 0.00 0.00 58.87 59.79 1v61 n SER 127 Cb 0.09 -0.54 -0.11 0.00 -1.01 0.00 0.00 64.21 62.64 1v61 n SER 127 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v61 s GLY 128 N -3.93 1.23 -0.92 0.23 0.00 -1.26 -5.07 107.32 97.59 1v61 s GLY 128 Ca -0.13 -1.43 -0.24 0.00 0.00 0.00 0.00 44.72 42.92 1v61 s GLY 128 CO 0.19 -1.50 1.67 2.56 0.00 0.00 0.00 173.10 176.02 1v61 s PRO 129 N -2.97 3.06 0.00 2.90 0.04 -1.26 -4.56 135.00 132.21 1v61 s PRO 129 Ca 0.14 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1v61 s PRO 129 Cb -0.04 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.41 1v61 s PRO 129 CO 0.05 -2.73 0.00 0.43 0.04 0.00 0.00 177.00 174.79 1v61 n SER 130 N 11.31 0.00 -0.13 6.66 7.64 -1.26 -4.85 113.62 132.99 1v61 n SER 130 Ca 0.33 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.23 1v61 n SER 130 Cb 0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1v61 n SER 130 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1v61 n SER 131 N 1.63 -0.69 0.00 6.43 2.88 -1.26 -5.17 113.62 117.44 1v61 n SER 131 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1v61 n SER 131 Cb 0.00 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1v61 n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42