#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 -0.66 -0.22 1.61 0.15 -1.26 -4.89 113.70 108.43 1v61 s SER 2 Ca 0.00 1.20 -0.36 0.00 0.70 0.00 0.00 55.95 57.49 1v61 s SER 2 Cb 0.00 1.17 0.15 0.00 -1.71 0.00 0.00 66.02 65.63 1v61 s SER 2 CO 0.00 -0.21 1.32 -0.55 1.20 0.00 0.00 173.24 175.01 1v61 s SER 3 N 0.72 -0.06 0.00 5.45 0.15 -1.26 -5.17 113.70 113.53 1v61 s SER 3 Ca -0.03 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1v61 s SER 3 Cb -0.05 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1v61 s SER 3 CO -0.05 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1v61 n GLY 4 N -0.12 1.44 3.22 9.45 0.00 -1.26 -4.80 105.19 113.11 1v61 n GLY 4 Ca 0.01 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1v61 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v61 n SER 5 N -0.22 4.78 0.00 1.61 3.41 -1.26 -4.83 113.62 117.11 1v61 n SER 5 Ca 0.00 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 1v61 n SER 5 Cb 0.00 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.31 1v61 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1v61 n SER 6 N 6.35 0.00 0.00 4.04 7.64 -1.26 -5.12 113.62 125.27 1v61 n SER 6 Ca 0.45 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1v61 n SER 6 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.17 -0.20 3.06 0.23 0.00 -1.26 -4.51 105.19 102.33 1v61 n GLY 7 Ca 0.00 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1v61 n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1v61 n GLN 8 N 0.00 -0.13 0.00 1.61 3.00 -1.26 -4.52 117.38 116.07 1v61 n GLN 8 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1v61 n GLN 8 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.10 1v61 n GLN 8 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1v61 n ILE 9 N -3.03 0.00 0.08 5.09 2.08 -1.26 -4.88 119.36 117.43 1v61 n ILE 9 Ca -0.01 0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.63 1v61 n ILE 9 Cb 0.62 -0.98 0.00 0.00 -0.75 0.00 0.00 39.64 38.53 1v61 n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1v61 n LEU 10 N 0.00 0.24 0.03 1.39 -0.00 -1.26 -5.07 117.00 112.32 1v61 n LEU 10 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1v61 n LEU 10 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1v61 n LEU 10 CO 0.00 -0.66 0.00 -1.20 -0.00 0.00 0.00 177.39 175.53 1v61 n SER 11 N -3.30 -0.03 -4.75 1.45 7.64 -1.26 -5.10 113.62 108.27 1v61 n SER 11 Ca 0.00 0.09 -0.38 0.00 1.01 0.00 0.00 58.87 59.59 1v61 n SER 11 Cb 0.05 0.07 0.04 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.18 3.00 0.00 1.43 2.02 -1.26 -5.02 118.70 117.70 1v61 s GLU 12 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.11 1v61 s GLU 12 Cb 0.00 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1v61 s GLU 12 CO 0.00 -1.26 0.00 -0.35 0.02 0.00 0.00 175.26 173.67 1v61 n PRO 13 N -1.29 0.59 -4.13 0.39 -0.04 -1.26 -4.61 135.00 124.65 1v61 n PRO 13 Ca 0.12 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 1v61 n PRO 13 Cb 0.46 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.27 4.28 -0.10 0.52 1.01 -1.26 -4.34 121.20 121.04 1v61 s ILE 14 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 1v61 s ILE 14 Cb 0.00 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1v61 s ILE 14 CO 0.00 0.19 0.18 -1.58 0.00 0.00 0.00 174.94 173.74 1v61 s GLN 15 N -2.13 3.51 0.00 2.79 0.74 0.11 -4.07 119.66 120.61 1v61 s GLN 15 Ca 0.25 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.62 1v61 s GLN 15 Cb -0.12 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.80 1v61 s GLN 15 CO 0.18 0.76 0.00 0.00 -0.55 0.00 0.00 175.29 175.68 1v61 n ALA 16 N 1.94 0.00 -1.49 1.58 0.00 -1.26 0.19 120.51 121.47 1v61 n ALA 16 Ca -0.19 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.78 1v61 n ALA 16 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.00 1.65 -4.24 0.00 -0.00 -1.26 -4.90 117.44 106.69 1v61 n TRP 17 Ca 0.00 0.16 -0.14 0.00 -0.00 0.00 0.00 57.50 57.52 1v61 n TRP 17 Cb 0.00 -2.59 -0.10 0.00 -0.00 0.00 0.00 31.31 28.62 1v61 n TRP 17 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 1v61 s GLU 18 N 6.48 1.07 5.72 5.87 -1.05 -1.26 -5.07 118.70 130.47 1v61 s GLU 18 Ca 1.07 -1.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 1v61 s GLU 18 Cb -0.69 -0.47 0.00 0.00 -0.44 0.00 0.00 34.13 32.53 1v61 s GLU 18 CO 0.44 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 177.05 1v61 n GLY 19 N -0.21 1.40 3.26 -3.83 0.00 -1.26 -4.85 105.19 99.71 1v61 n GLY 19 Ca -0.09 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 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 4.58 -3.43 -4.93 1.61 9.92 -1.26 -4.94 116.55 118.10 1v61 n ASP 20 Ca 0.00 0.61 -0.25 0.00 -0.53 0.00 0.00 54.79 54.62 1v61 n ASP 20 Cb 0.00 -0.90 0.04 0.00 -0.64 0.00 0.00 41.12 39.62 1v61 n ASP 20 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1v61 s ASP 21 N -1.05 5.34 -0.04 -2.24 1.01 -1.26 -5.01 116.67 113.42 1v61 s ASP 21 Ca 0.57 0.51 -0.01 0.00 0.71 0.00 0.00 52.55 54.33 1v61 s ASP 21 Cb -0.45 -1.41 -0.26 0.00 1.01 0.00 0.00 42.92 41.80 1v61 s ASP 21 CO 0.66 -1.20 0.69 -0.29 0.21 0.00 0.00 175.17 175.24 1v61 h ILE 22 N -0.22 0.96 -0.38 0.77 2.10 -1.98 -3.29 117.51 115.47 1v61 h ILE 22 Ca -0.45 -2.66 0.11 0.00 1.08 0.00 0.00 64.86 62.94 1v61 h ILE 22 Cb 1.28 2.63 -0.02 0.00 -1.09 0.00 0.00 36.82 39.62 1v61 h ILE 22 CO 0.59 0.78 0.52 0.11 -1.08 0.00 0.00 178.15 179.07 1v61 h LYS 23 N 0.06 0.00 -0.44 2.19 1.79 -1.99 0.80 116.57 118.97 1v61 h LYS 23 Ca -0.30 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.14 1v61 h LYS 23 Cb 2.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.65 1v61 h LYS 23 CO 0.13 0.00 0.15 1.79 -1.08 0.00 0.00 179.45 180.44 1v61 h THR 24 N 0.00 1.18 0.00 -0.16 1.35 -1.98 -3.36 112.91 109.94 1v61 h THR 24 Ca 0.18 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1v61 h THR 24 Cb 1.23 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1v61 h THR 24 CO -0.00 0.22 0.00 0.18 -0.25 0.00 0.00 175.52 175.67 1v61 n LEU 25 N -4.34 0.56 -1.22 3.87 4.77 0.27 -4.88 117.00 116.03 1v61 n LEU 25 Ca 0.03 0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.13 1v61 n LEU 25 Cb 0.17 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1v61 n LEU 25 CO 0.38 -0.20 -0.44 0.61 -1.33 0.00 0.00 177.39 176.40 1v61 n GLY 26 N 2.16 -3.60 0.00 -0.72 0.00 -0.65 -4.79 105.19 97.60 1v61 n GLY 26 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1v61 n GLY 26 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1v61 n ASN 27 N -3.01 -1.61 -3.72 1.61 5.15 -1.26 -4.92 115.26 107.50 1v61 n ASN 27 Ca -0.03 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.65 1v61 n ASN 27 Cb 0.46 0.80 -0.14 0.00 -0.53 0.00 0.00 39.78 40.37 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 -0.80 1.26 0.00 3.44 1.01 -1.26 -4.25 120.40 119.80 1v61 s VAL 28 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 59.77 1v61 s VAL 28 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1v61 s VAL 28 CO 0.00 -0.83 0.44 -0.38 0.00 0.00 0.00 175.10 174.33 1v61 n ILE 29 N 3.94 0.00 -4.97 2.22 5.41 0.14 -4.57 119.36 121.53 1v61 n ILE 29 Ca 0.06 0.94 -0.30 0.00 1.00 0.00 0.00 62.75 64.44 1v61 n ILE 29 Cb 0.37 -1.50 -0.17 0.00 -0.71 0.00 0.00 39.64 37.63 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 -0.87 2.24 -0.14 1.39 2.19 -1.26 -4.99 117.98 116.53 1v61 s PHE 30 Ca 0.00 -0.92 -0.01 0.00 0.33 0.00 0.00 56.93 56.33 1v61 s PHE 30 Cb 0.00 -1.53 0.04 0.00 -1.31 0.00 0.00 43.02 40.22 1v61 s PHE 30 CO 0.00 -0.40 -0.02 1.41 1.83 0.00 0.00 175.22 178.05 1v61 s MET 31 N 0.49 1.04 0.26 10.12 -2.45 -1.26 -3.27 119.30 124.22 1v61 s MET 31 Ca -0.16 -0.31 -0.09 0.00 -1.25 0.00 0.00 55.69 53.88 1v61 s MET 31 Cb -0.17 -1.72 -0.01 0.00 1.25 0.00 0.00 34.83 34.18 1v61 s MET 31 CO 0.06 -0.43 0.41 0.45 1.05 0.00 0.00 175.02 176.57 1v61 s SER 32 N 1.78 0.13 -0.54 1.11 0.15 -1.26 -5.04 113.70 110.03 1v61 s SER 32 Ca 0.02 -1.11 -0.23 0.00 0.70 0.00 0.00 55.95 55.33 1v61 s SER 32 Cb -0.15 0.56 0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1v61 s SER 32 CO -0.07 -1.12 0.86 -1.58 1.20 0.00 0.00 173.24 172.53 1v61 s GLN 33 N -3.86 3.27 0.35 5.44 0.74 -1.26 -3.46 119.66 120.88 1v61 s GLN 33 Ca 0.27 -0.45 0.07 0.00 0.05 0.00 0.00 55.36 55.30 1v61 s GLN 33 Cb 0.01 -4.07 -0.02 0.00 1.10 0.00 0.00 33.01 30.02 1v61 s GLN 33 CO 0.12 -1.43 0.33 0.14 -0.55 0.00 0.00 175.29 173.89 1v61 s VAL 34 N 3.60 3.39 -0.30 1.34 -7.23 0.43 -4.89 120.40 116.74 1v61 s VAL 34 Ca 0.26 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 59.08 1v61 s VAL 34 Cb -0.14 -3.16 0.05 0.00 0.56 0.00 0.00 36.38 33.68 1v61 s VAL 34 CO 0.17 -0.14 0.00 -0.69 -0.31 0.00 0.00 175.10 174.14 1v61 s VAL 35 N -2.33 3.03 -0.08 1.32 1.01 -1.26 0.98 120.40 123.07 1v61 s VAL 35 Ca 0.43 -1.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1v61 s VAL 35 Cb -0.06 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1v61 s VAL 35 CO 0.27 -0.10 -0.02 -0.32 0.00 0.00 0.00 175.10 174.93 1v61 s MET 36 N 1.26 0.83 0.38 2.72 -2.45 0.53 -0.76 119.30 121.82 1v61 s MET 36 Ca -0.05 0.00 0.03 0.00 -1.25 0.00 0.00 55.69 54.42 1v61 s MET 36 Cb -0.20 -1.09 -0.01 0.00 1.25 0.00 0.00 34.83 34.79 1v61 s MET 36 CO -0.01 -0.27 0.09 0.00 1.05 0.00 0.00 175.02 175.89 1v61 n GLN 37 N 4.97 0.71 -0.10 4.11 10.64 -1.26 -4.38 117.38 132.07 1v61 n GLN 37 Ca -0.10 -3.07 -0.21 0.00 -1.83 0.00 0.00 57.00 51.78 1v61 n GLN 37 Cb 0.50 1.43 -0.12 0.00 -0.86 0.00 0.00 30.24 31.20 1v61 n GLN 37 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1v61 h HIS 38 N 1.49 0.01 0.00 2.61 -0.00 -1.97 -3.38 115.15 113.92 1v61 h HIS 38 Ca -0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 1v61 h HIS 38 Cb 1.08 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.49 1v61 h HIS 38 CO 0.00 1.43 0.00 0.41 -0.00 0.00 0.00 177.93 179.77 1v61 n GLY 39 N 1.47 -0.36 3.56 5.26 0.00 -1.26 -4.98 105.19 108.87 1v61 n GLY 39 Ca -0.29 0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 1v61 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v61 s ALA 40 N -1.00 2.38 0.36 4.61 0.00 -1.26 -4.91 121.76 121.93 1v61 s ALA 40 Ca 0.00 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.34 1v61 s ALA 40 Cb 0.00 -4.45 -0.03 0.00 0.00 0.00 0.00 23.12 18.64 1v61 s ALA 40 CO 0.00 -3.89 0.16 0.00 0.00 0.00 0.00 175.76 172.02 1v61 n GLU 42 N -0.74 0.00 -4.30 0.00 1.02 -1.26 -4.85 120.64 110.51 1v61 n GLU 42 Ca -0.01 0.22 -0.18 0.00 -0.02 0.00 0.00 57.16 57.17 1v61 n GLU 42 Cb 0.65 -0.68 -0.09 0.00 -0.02 0.00 0.00 31.44 31.30 1v61 n GLU 42 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1v61 s GLU 43 N -0.48 1.61 0.17 3.49 2.02 -1.26 -5.11 118.70 119.14 1v61 s GLU 43 Ca 0.00 -1.92 -0.28 0.00 0.02 0.00 0.00 54.97 52.79 1v61 s GLU 43 Cb 0.00 0.14 -0.17 0.00 0.10 0.00 0.00 34.13 34.20 1v61 s GLU 43 CO 0.00 -0.53 0.55 0.36 0.02 0.00 0.00 175.26 175.66 1v61 n LYS 44 N -0.56 0.00 -3.38 1.61 2.85 -1.26 -4.86 118.16 112.55 1v61 n LYS 44 Ca 0.04 0.00 -0.45 0.00 -1.05 0.00 0.00 58.31 56.85 1v61 n LYS 44 Cb 0.64 -1.01 -0.05 0.00 -0.65 0.00 0.00 35.03 33.96 1v61 n LYS 44 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1v61 s GLU 45 N -0.86 3.08 0.11 -1.58 2.56 -1.26 -4.99 118.70 115.76 1v61 s GLU 45 Ca 0.64 -2.02 -0.30 0.00 0.00 0.00 0.00 54.97 53.29 1v61 s GLU 45 Cb -0.93 -4.25 -0.06 0.00 2.00 0.00 0.00 34.13 30.90 1v61 s GLU 45 CO 0.54 -1.28 0.99 -1.21 -0.56 0.00 0.00 175.26 173.74 1v61 s GLU 46 N 0.98 4.66 0.24 4.30 2.02 -1.26 0.20 118.70 129.84 1v61 s GLU 46 Ca 0.09 1.50 -0.10 0.00 0.02 0.00 0.00 54.97 56.49 1v61 s GLU 46 Cb -0.22 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.63 1v61 s GLU 46 CO -0.02 0.16 0.40 1.03 0.02 0.00 0.00 175.26 176.85 1v61 s ARG 47 N 0.06 1.49 -0.21 1.61 0.52 0.27 -4.89 118.95 117.81 1v61 s ARG 47 Ca 0.48 -1.37 -0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1v61 s ARG 47 Cb -0.24 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.65 1v61 s ARG 47 CO 0.30 -0.60 -0.09 -0.47 0.02 0.00 0.00 175.30 174.47 1v61 s TYR 48 N -3.99 2.91 -0.23 -0.53 5.04 0.18 -0.43 117.35 120.31 1v61 s TYR 48 Ca 0.27 -1.15 -0.07 0.00 -2.44 0.00 0.00 57.07 53.68 1v61 s TYR 48 Cb 0.01 -2.05 -0.03 0.00 0.35 0.00 0.00 41.96 40.24 1v61 s TYR 48 CO 0.10 -0.62 0.05 -0.06 -1.34 0.00 0.00 175.55 173.67 1v61 s PHE 49 N 1.42 3.08 -0.33 4.97 0.40 -1.22 0.16 117.98 126.46 1v61 s PHE 49 Ca 0.05 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1v61 s PHE 49 Cb -0.14 -2.17 0.04 0.00 0.51 0.00 0.00 43.02 41.26 1v61 s PHE 49 CO -0.06 -0.27 0.09 -0.51 0.70 0.00 0.00 175.22 175.17 1v61 s LEU 50 N 1.29 4.27 -0.50 -0.37 1.43 0.37 -4.00 118.68 121.16 1v61 s LEU 50 Ca 0.04 -1.16 -0.25 0.00 -1.03 0.00 0.00 54.13 51.74 1v61 s LEU 50 Cb -0.15 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.26 1v61 s LEU 50 CO 0.03 -0.32 0.91 -0.22 0.23 0.00 0.00 176.35 176.98 1v61 s LEU 51 N 1.38 4.08 0.00 1.79 2.96 -1.20 -1.29 118.68 126.40 1v61 s LEU 51 Ca -0.02 -0.13 0.21 0.00 -0.22 0.00 0.00 54.13 53.97 1v61 s LEU 51 Cb -0.20 -3.00 0.65 0.00 0.50 0.00 0.00 46.19 44.14 1v61 s LEU 51 CO 0.02 -1.11 1.50 0.49 -1.32 0.00 0.00 176.35 175.93 1v61 n PHE 52 N 7.24 0.28 -2.72 5.38 3.01 -0.89 0.28 117.46 130.04 1v61 n PHE 52 Ca 0.04 -0.14 -0.08 0.00 1.01 0.00 0.00 57.45 58.28 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 0.45 1.01 0.00 0.00 176.76 178.22 1v61 n SER 53 N 0.64 -2.84 0.00 4.37 2.88 -1.26 -4.66 113.62 112.75 1v61 n SER 53 Ca 0.17 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1v61 n SER 53 Cb 0.40 -2.19 0.00 0.00 -0.75 0.00 0.00 64.21 61.67 1v61 n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v61 n SER 54 N -0.96 0.00 -3.86 -3.46 7.64 -1.26 -5.02 113.62 106.69 1v61 n SER 54 Ca -0.05 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.72 1v61 n SER 54 Cb 0.54 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.05 -0.75 0.44 0.11 -1.26 0.14 120.40 119.13 1v61 s VAL 55 Ca 0.00 -0.43 -0.10 0.00 -2.93 0.00 0.00 61.98 58.52 1v61 s VAL 55 Cb 0.00 -0.32 0.20 0.00 -1.53 0.00 0.00 36.38 34.73 1v61 s VAL 55 CO 0.00 -0.24 0.64 -0.22 -3.33 0.00 0.00 175.10 171.95 1v61 s LEU 56 N -0.80 6.16 -0.04 2.54 1.98 0.53 -2.08 118.68 126.97 1v61 s LEU 56 Ca -0.09 -2.75 -0.30 0.00 -2.89 0.00 0.00 54.13 48.11 1v61 s LEU 56 Cb -0.05 -2.07 -0.03 0.00 0.66 0.00 0.00 46.19 44.70 1v61 s LEU 56 CO 0.01 -0.50 1.14 -0.63 -1.89 0.00 0.00 176.35 174.48 1v61 s ILE 57 N 0.09 4.40 -0.14 6.68 -1.09 -0.42 -2.35 121.20 128.37 1v61 s ILE 57 Ca 0.17 1.71 -0.03 0.00 -2.23 0.00 0.00 60.65 60.27 1v61 s ILE 57 Cb -0.14 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1v61 s ILE 57 CO -0.07 0.03 -0.03 -0.04 -1.23 0.00 0.00 174.94 173.61 1v61 s MET 58 N 1.87 3.55 0.20 2.79 -1.94 -1.25 0.14 119.30 124.67 1v61 s MET 58 Ca 0.54 -0.50 0.09 0.00 -1.71 0.00 0.00 55.69 54.11 1v61 s MET 58 Cb -0.24 -2.89 -0.05 0.00 2.01 0.00 0.00 34.83 33.67 1v61 s MET 58 CO 0.23 0.32 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.88 1v61 s LEU 59 N 0.15 2.52 -0.14 -0.03 1.02 0.42 -2.03 118.68 120.59 1v61 s LEU 59 Ca -0.01 -0.97 -0.07 0.00 0.02 0.00 0.00 54.13 53.10 1v61 s LEU 59 Cb -0.14 -0.79 0.05 0.00 0.02 0.00 0.00 46.19 45.33 1v61 s LEU 59 CO 0.03 -0.09 0.33 -0.94 0.02 0.00 0.00 176.35 175.70 1v61 s SER 60 N -3.13 -0.37 -0.62 2.29 1.04 -0.31 0.49 113.70 113.10 1v61 s SER 60 Ca 0.21 0.72 -0.16 0.00 0.48 0.00 0.00 55.95 57.21 1v61 s SER 60 Cb -0.03 0.63 0.15 0.00 0.10 0.00 0.00 66.02 66.86 1v61 s SER 60 CO 0.08 -0.18 0.61 0.00 0.98 0.00 0.00 173.24 174.72 1v61 s ALA 61 N 1.42 3.70 -0.05 5.32 0.00 -1.26 -1.35 121.76 129.53 1v61 s ALA 61 Ca -0.09 -2.67 -0.21 0.00 0.00 0.00 0.00 51.96 49.00 1v61 s ALA 61 Cb -0.10 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 1v61 s ALA 61 CO -0.11 -2.15 0.85 0.77 0.00 0.00 0.00 175.76 175.12 1v61 h SER 62 N 8.70 -0.19 -3.14 0.00 0.02 -1.92 -3.44 113.55 113.59 1v61 h SER 62 Ca -0.20 -0.35 -0.54 0.00 -0.84 0.00 0.00 61.79 59.86 1v61 h SER 62 Cb 1.08 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1v61 h SER 62 CO 0.99 0.37 0.63 -2.16 -1.14 0.00 0.00 176.83 175.52 1v61 s PRO 63 N -3.37 4.39 -1.12 3.45 0.04 -1.26 -4.93 135.00 132.19 1v61 s PRO 63 Ca -0.12 1.71 -0.22 0.00 0.04 0.00 0.00 61.00 62.41 1v61 s PRO 63 Cb 0.00 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1v61 s PRO 63 CO 0.46 -0.35 1.84 0.50 0.04 0.00 0.00 177.00 179.49 1v61 s ARG 64 N 1.68 2.95 0.00 4.56 3.52 -1.26 -3.89 118.95 126.50 1v61 s ARG 64 Ca 0.57 -1.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 1v61 s ARG 64 Cb -0.27 -5.28 0.00 0.00 -1.56 0.00 0.00 34.95 27.85 1v61 s ARG 64 CO 0.25 -3.28 0.00 -0.12 -0.81 0.00 0.00 175.30 171.35 1v61 n MET 65 N 8.51 0.00 -2.99 5.12 1.56 -1.26 -5.18 117.12 122.89 1v61 n MET 65 Ca 0.43 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.84 1v61 n MET 65 Cb 0.47 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.85 1v61 n MET 65 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1v61 n SER 66 N -1.60 -1.15 0.00 6.12 3.41 -1.25 -5.17 113.62 113.98 1v61 n SER 66 Ca 0.00 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 1v61 n SER 66 Cb 0.00 1.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 1v61 n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v61 n GLY 67 N -0.46 -2.56 3.23 5.00 0.00 -1.26 -4.81 105.19 104.33 1v61 n GLY 67 Ca -0.02 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.33 1.33 -0.15 1.61 0.08 -1.26 -4.55 117.98 111.71 1v61 s PHE 68 Ca 0.00 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.49 1v61 s PHE 68 Cb 0.00 -0.70 0.02 0.00 -0.57 0.00 0.00 43.02 41.77 1v61 s PHE 68 CO 0.00 0.11 -0.16 1.41 -0.10 0.00 0.00 175.22 176.48 1v61 s MET 69 N -2.65 2.51 0.36 0.44 -2.45 -0.46 -0.71 119.30 116.34 1v61 s MET 69 Ca 0.08 -0.65 -0.27 0.00 -1.25 0.00 0.00 55.69 53.61 1v61 s MET 69 Cb -0.05 -2.22 -0.09 0.00 1.25 0.00 0.00 34.83 33.73 1v61 s MET 69 CO 0.02 -0.19 1.17 -0.47 1.05 0.00 0.00 175.02 176.60 1v61 s TYR 70 N 1.32 3.18 -0.30 4.11 5.04 0.52 -1.16 117.35 130.06 1v61 s TYR 70 Ca 0.03 1.57 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 1v61 s TYR 70 Cb -0.13 -3.40 0.17 0.00 0.35 0.00 0.00 41.96 38.94 1v61 s TYR 70 CO -0.09 -1.20 0.44 -0.65 -1.34 0.00 0.00 175.55 172.71 1v61 s GLN 71 N -2.05 0.48 0.49 4.97 -1.52 -0.86 -4.71 119.66 116.46 1v61 s GLN 71 Ca 0.53 0.08 0.00 0.00 -1.95 0.00 0.00 55.36 54.02 1v61 s GLN 71 Cb -0.32 -0.24 0.00 0.00 -0.22 0.00 0.00 33.01 32.23 1v61 s GLN 71 CO 0.41 -1.06 0.00 0.41 -0.25 0.00 0.00 175.29 174.79 1v61 n GLY 72 N 5.21 -3.12 3.18 3.09 0.00 -1.26 -4.53 105.19 107.76 1v61 n GLY 72 Ca 0.03 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1v61 n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v61 s LYS 73 N -3.87 0.33 -0.30 1.61 -2.85 -1.26 -3.79 119.74 109.60 1v61 s LYS 73 Ca 0.00 0.59 -0.07 0.00 -1.00 0.00 0.00 55.97 55.50 1v61 s LYS 73 Cb 0.00 0.01 0.01 0.00 -2.06 0.00 0.00 37.83 35.80 1v61 s LYS 73 CO 0.00 -0.12 0.08 0.42 0.10 0.00 0.00 175.35 175.83 1v61 s ILE 74 N 0.94 3.93 0.17 3.79 1.01 -0.99 -4.91 121.20 125.14 1v61 s ILE 74 Ca -0.06 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1v61 s ILE 74 Cb -0.07 -3.06 -0.07 0.00 0.01 0.00 0.00 42.46 39.27 1v61 s ILE 74 CO -0.07 0.04 1.12 -2.16 0.00 0.00 0.00 174.94 173.87 1v61 s PRO 75 N 1.48 4.56 0.25 2.79 0.04 -1.26 0.20 135.00 143.06 1v61 s PRO 75 Ca 0.02 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 1v61 s PRO 75 Cb -0.18 -3.28 0.50 0.00 0.04 0.00 0.00 34.50 31.58 1v61 s PRO 75 CO 0.02 0.02 1.72 0.82 0.04 0.00 0.00 177.00 179.62 1v61 h ILE 76 N 3.80 0.61 0.02 0.56 1.08 0.83 1.69 117.51 126.10 1v61 h ILE 76 Ca -0.44 -0.14 0.02 0.00 -0.39 0.00 0.00 64.86 63.91 1v61 h ILE 76 Cb 1.21 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 1v61 h ILE 76 CO 0.73 0.08 -0.16 0.00 -0.69 0.00 0.00 178.15 178.11 1v61 h ALA 77 N 1.58 -0.21 -0.04 1.87 0.00 -1.91 0.22 119.26 120.77 1v61 h ALA 77 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1v61 h ALA 77 Cb 0.70 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1v61 h ALA 77 CO -0.44 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 178.56 1v61 n GLY 78 N -1.30 -0.70 3.90 0.00 0.00 -0.01 -4.85 105.19 102.24 1v61 n GLY 78 Ca -0.05 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.95 3.52 -0.22 1.61 0.00 0.55 -4.16 119.30 118.66 1v61 s MET 79 Ca 0.28 0.34 -0.04 0.00 0.00 0.00 0.00 55.69 56.27 1v61 s MET 79 Cb 0.13 -2.29 0.09 0.00 0.00 0.00 0.00 34.83 32.77 1v61 s MET 79 CO 0.22 -0.34 0.17 0.08 0.00 0.00 0.00 175.02 175.15 1v61 s VAL 80 N -2.88 -0.21 -0.11 10.11 1.01 -0.86 -4.92 120.40 122.54 1v61 s VAL 80 Ca 0.50 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1v61 s VAL 80 Cb -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1v61 s VAL 80 CO 0.47 -0.36 -0.20 -0.69 0.00 0.00 0.00 175.10 174.33 1v61 s VAL 81 N 2.23 2.42 -0.33 2.92 1.01 -1.26 -3.30 120.40 124.07 1v61 s VAL 81 Ca 0.06 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1v61 s VAL 81 Cb -0.16 -1.95 0.30 0.00 0.00 0.00 0.00 36.38 34.57 1v61 s VAL 81 CO -0.18 0.55 1.29 0.59 0.00 0.00 0.00 175.10 177.35 1v61 n ASN 82 N 3.46 -1.49 -4.23 3.32 3.02 -1.26 -4.97 115.26 113.10 1v61 n ASN 82 Ca -0.19 -2.13 -0.38 0.00 -0.03 0.00 0.00 54.58 51.86 1v61 n ASN 82 Cb 0.53 0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 40.49 1v61 n ASN 82 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1v61 n ARG 83 N -0.80 -0.66 0.00 3.52 0.63 -1.26 -0.73 116.66 117.36 1v61 n ARG 83 Ca -0.11 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1v61 n ARG 83 Cb 0.79 -3.14 0.00 0.00 0.45 0.00 0.00 32.46 30.57 1v61 n ARG 83 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1v61 n LEU 84 N -4.80 0.00 -3.15 6.15 -0.00 -1.25 -4.45 117.00 109.49 1v61 n LEU 84 Ca -0.24 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 55.81 1v61 n LEU 84 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.06 1v61 n LEU 84 CO 0.81 0.00 0.31 1.51 -0.00 0.00 0.00 177.39 180.02 1v61 s ASP 85 N 0.00 -1.07 0.00 1.96 -4.77 0.09 -4.81 116.67 108.08 1v61 s ASP 85 Ca 0.00 0.46 0.00 0.00 -3.30 0.00 0.00 52.55 49.71 1v61 s ASP 85 Cb 0.00 1.81 0.00 0.00 -1.09 0.00 0.00 42.92 43.64 1v61 s ASP 85 CO 0.00 -0.20 0.73 -0.62 0.70 0.00 0.00 175.17 175.78 1v61 n GLU 86 N 5.40 0.00 -1.51 2.11 1.02 -0.64 -4.79 120.64 122.23 1v61 n GLU 86 Ca 0.00 0.73 0.01 0.00 -0.02 0.00 0.00 57.16 57.89 1v61 n GLU 86 Cb 0.53 -1.18 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 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 -2.21 -2.39 -0.81 -3.67 -0.00 -1.26 -3.88 119.36 105.14 1v61 n ILE 87 Ca 0.00 1.23 -0.22 0.00 -0.00 0.00 0.00 62.75 63.76 1v61 n ILE 87 Cb 0.00 -2.03 -0.04 0.00 -0.00 0.00 0.00 39.64 37.57 1v61 n ILE 87 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 1v61 n GLU 88 N -2.69 2.19 0.00 0.38 0.28 -1.26 -4.18 120.64 115.37 1v61 n GLU 88 Ca -0.01 -1.42 0.00 0.00 -0.16 0.00 0.00 57.16 55.57 1v61 n GLU 88 Cb 0.44 -2.38 0.00 0.00 1.43 0.00 0.00 31.44 30.92 1v61 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1v61 n GLY 89 N 3.52 2.13 0.00 -1.84 0.00 -1.26 -5.18 105.19 102.56 1v61 n GLY 89 Ca 0.47 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1v61 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v61 n SER 90 N 0.00 0.00 -3.35 1.61 7.64 -1.25 -5.11 113.62 113.17 1v61 n SER 90 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1v61 n SER 90 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1v61 n SER 90 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1v61 s ASP 91 N 0.00 -0.85 -0.30 6.43 1.11 -1.26 -4.84 116.67 116.95 1v61 s ASP 91 Ca 0.00 0.88 -0.20 0.00 0.18 0.00 0.00 52.55 53.41 1v61 s ASP 91 Cb 0.00 1.87 0.19 0.00 1.07 0.00 0.00 42.92 46.05 1v61 s ASP 91 CO 0.00 -0.26 1.30 0.00 1.18 0.00 0.00 175.17 177.40 1v61 n MET 93 N 4.79 -0.54 -3.63 0.00 2.81 -1.26 -4.65 117.12 114.64 1v61 n MET 93 Ca -0.07 0.35 -0.11 0.00 -1.81 0.00 0.00 57.70 56.07 1v61 n MET 93 Cb 0.56 -0.65 -0.05 0.00 -0.71 0.00 0.00 33.22 32.36 1v61 n MET 93 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1v61 s PHE 94 N -0.57 -0.21 0.21 2.03 -0.71 -1.26 -3.97 117.98 113.50 1v61 s PHE 94 Ca 0.00 -0.08 0.10 0.00 -1.04 0.00 0.00 56.93 55.91 1v61 s PHE 94 Cb 0.00 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 42.02 1v61 s PHE 94 CO 0.00 -0.69 -0.20 -1.83 -1.34 0.00 0.00 175.22 171.17 1v61 s GLU 95 N -3.67 1.45 -0.36 1.99 -1.05 -1.26 -2.76 118.70 113.05 1v61 s GLU 95 Ca 0.02 -1.56 0.03 0.00 -0.15 0.00 0.00 54.97 53.31 1v61 s GLU 95 Cb 0.02 -1.54 0.11 0.00 -0.44 0.00 0.00 34.13 32.27 1v61 s GLU 95 CO -0.11 0.30 0.10 0.42 0.95 0.00 0.00 175.26 176.92 1v61 s ILE 96 N -2.22 1.93 0.32 1.83 1.01 0.96 -4.47 121.20 120.56 1v61 s ILE 96 Ca 0.22 -2.26 0.02 0.00 0.00 0.00 0.00 60.65 58.63 1v61 s ILE 96 Cb -0.05 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 40.03 1v61 s ILE 96 CO 0.10 -0.66 0.19 0.35 0.00 0.00 0.00 174.94 174.92 1v61 n THR 97 N 4.20 0.00 0.00 2.92 -2.24 -1.21 -1.94 114.28 116.02 1v61 n THR 97 Ca 0.03 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1v61 n THR 97 Cb 0.40 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.13 0.81 0.39 3.38 0.00 -1.26 -2.03 105.19 107.61 1v61 n GLY 98 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.77 0.03 1.61 2.88 -1.26 -4.73 113.62 111.38 1v61 n SER 99 Ca 0.00 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1v61 n SER 99 Cb 0.00 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 1v61 n SER 99 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1v61 n THR 100 N -3.08 0.00 -2.66 2.46 5.66 -1.26 -5.03 114.28 110.37 1v61 n THR 100 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1v61 n THR 100 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 1v61 n THR 100 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1v61 n VAL 101 N -2.53 0.00 -4.11 1.08 3.14 -1.26 -5.15 118.33 109.50 1v61 n VAL 101 Ca 0.00 -0.70 -0.15 0.00 -2.96 0.00 0.00 64.34 60.54 1v61 n VAL 101 Cb 0.00 0.89 -0.14 0.00 -1.06 0.00 0.00 33.84 33.54 1v61 n VAL 101 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1v61 s GLU 102 N 0.05 0.40 -0.12 1.45 2.12 -1.26 -5.13 118.70 116.21 1v61 s GLU 102 Ca 0.14 -0.30 -0.00 0.00 0.36 0.00 0.00 54.97 55.16 1v61 s GLU 102 Cb 0.21 -0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.29 1v61 s GLU 102 CO -0.12 0.08 -0.08 0.50 -0.54 0.00 0.00 175.26 175.11 1v61 s ARG 103 N -0.46 1.54 -0.42 4.30 3.52 -1.26 -4.08 118.95 122.09 1v61 s ARG 103 Ca -0.01 -0.30 -0.20 0.00 -0.13 0.00 0.00 55.73 55.09 1v61 s ARG 103 Cb -0.04 -1.66 0.02 0.00 -1.56 0.00 0.00 34.95 31.71 1v61 s ARG 103 CO -0.00 -0.29 0.60 0.42 -0.81 0.00 0.00 175.30 175.23 1v61 s ILE 104 N 1.69 4.88 -0.65 4.11 1.01 -0.82 -4.85 121.20 126.57 1v61 s ILE 104 Ca 0.04 0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.63 1v61 s ILE 104 Cb -0.13 -4.15 0.11 0.00 0.01 0.00 0.00 42.46 38.30 1v61 s ILE 104 CO -0.08 -0.51 0.79 -0.69 0.00 0.00 0.00 174.94 174.44 1v61 s VAL 105 N 2.68 4.81 -0.16 2.92 1.01 -1.26 -0.02 120.40 130.38 1v61 s VAL 105 Ca 0.21 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 1v61 s VAL 105 Cb -0.15 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.68 1v61 s VAL 105 CO 0.17 -1.20 0.92 -0.69 0.00 0.00 0.00 175.10 174.30 1v61 s VAL 106 N 2.65 4.82 0.60 2.92 1.01 -1.11 -4.04 120.40 127.24 1v61 s VAL 106 Ca 0.15 1.82 -0.06 0.00 0.00 0.00 0.00 61.98 63.90 1v61 s VAL 106 Cb -0.20 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.97 1v61 s VAL 106 CO 0.04 -0.01 0.90 -1.00 0.00 0.00 0.00 175.10 175.03 1v61 s HIS 107 N 2.25 3.23 0.17 5.22 3.76 0.06 -4.27 115.29 125.71 1v61 s HIS 107 Ca 0.42 0.62 -0.24 0.00 -0.15 0.00 0.00 55.06 55.72 1v61 s HIS 107 Cb -0.17 -2.76 0.07 0.00 1.11 0.00 0.00 32.58 30.83 1v61 s HIS 107 CO 0.13 -0.86 1.01 0.00 -0.85 0.00 0.00 174.74 174.17 1v61 n ASN 109 N -0.84 2.03 -2.03 0.00 4.13 -1.26 -5.08 115.26 112.21 1v61 n ASN 109 Ca -0.05 -2.54 0.00 0.00 1.68 0.00 0.00 54.58 53.67 1v61 n ASN 109 Cb 0.60 -0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 1v61 n ASN 109 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1v61 n ASN 110 N -0.96 -8.63 0.00 6.41 4.13 -1.26 -5.09 115.26 109.86 1v61 n ASN 110 Ca 0.08 1.39 0.00 0.00 1.68 0.00 0.00 54.58 57.73 1v61 n ASN 110 Cb 0.48 -4.83 0.00 0.00 -1.54 0.00 0.00 39.78 33.89 1v61 n ASN 110 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1v61 n ASN 111 N 1.77 0.00 -0.14 6.41 4.13 -1.26 -4.96 115.26 121.21 1v61 n ASN 111 Ca 0.00 0.00 0.22 0.00 1.68 0.00 0.00 54.58 56.48 1v61 n ASN 111 Cb 0.00 0.00 0.64 0.00 -1.54 0.00 0.00 39.78 38.88 1v61 n ASN 111 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1v61 h GLN 112 N 0.00 0.13 0.88 3.52 4.20 -1.99 -1.23 115.11 120.62 1v61 h GLN 112 Ca 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1v61 h GLN 112 Cb 0.00 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.76 1v61 h GLN 112 CO 0.00 0.09 -0.42 -0.44 -0.67 0.00 0.00 178.83 177.39 1v61 h ASP 113 N 0.14 -1.00 -0.06 1.46 5.19 -1.99 -1.96 116.42 118.20 1v61 h ASP 113 Ca 0.37 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.83 1v61 h ASP 113 Cb 1.27 0.26 -0.03 0.00 0.18 0.00 0.00 39.33 41.01 1v61 h ASP 113 CO -0.06 -0.66 -0.30 0.15 -3.12 0.00 0.00 179.24 175.26 1v61 h PHE 114 N -1.28 -0.89 -0.99 4.55 3.57 -1.62 0.07 116.94 120.34 1v61 h PHE 114 Ca -0.12 0.03 0.36 0.00 3.53 0.00 0.00 57.97 61.77 1v61 h PHE 114 Cb 0.91 0.40 -0.17 0.00 2.79 0.00 0.00 35.95 39.87 1v61 h PHE 114 CO -0.00 -0.31 0.41 1.96 -2.23 0.00 0.00 178.31 178.14 1v61 h GLN 115 N -0.33 0.07 0.88 1.11 4.20 -1.45 0.36 115.11 119.94 1v61 h GLN 115 Ca 0.02 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1v61 h GLN 115 Cb 0.38 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1v61 h GLN 115 CO -0.23 0.04 -0.42 1.49 -0.67 0.00 0.00 178.83 179.04 1v61 h GLU 116 N 0.07 -1.13 -0.78 1.46 4.57 -0.24 0.52 114.58 119.04 1v61 h GLU 116 Ca 0.75 0.08 0.17 0.00 -1.18 0.00 0.00 59.36 59.18 1v61 h GLU 116 Cb 1.85 0.26 -0.11 0.00 -0.16 0.00 0.00 28.75 30.59 1v61 h GLU 116 CO -0.77 -0.75 0.28 -1.49 -1.18 0.00 0.00 179.01 175.09 1v61 h TRP 117 N -1.22 0.45 -0.66 0.92 4.06 0.11 0.51 115.95 120.12 1v61 h TRP 117 Ca -0.12 0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.83 1v61 h TRP 117 Cb 0.91 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.96 1v61 h TRP 117 CO -0.01 -0.02 0.24 0.52 -3.56 0.00 0.00 178.44 175.61 1v61 h MET 118 N 0.37 0.99 0.01 0.49 2.86 -0.19 -0.84 114.93 118.62 1v61 h MET 118 Ca 0.45 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1v61 h MET 118 Cb 0.76 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1v61 h MET 118 CO -0.47 0.83 -0.00 0.93 1.06 0.00 0.00 176.91 179.25 1v61 h GLU 119 N 0.97 -0.01 -0.54 1.72 4.39 0.49 -0.03 114.58 121.57 1v61 h GLU 119 Ca 0.22 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.00 1v61 h GLU 119 Cb 0.23 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.78 1v61 h GLU 119 CO -0.01 -0.01 -0.45 -0.56 -1.16 0.00 0.00 179.01 176.82 1v61 h GLN 120 N -0.01 -0.25 -0.70 2.33 3.07 -1.00 0.26 115.11 118.80 1v61 h GLN 120 Ca -0.00 0.02 0.15 0.00 0.09 0.00 0.00 58.65 58.91 1v61 h GLN 120 Cb 0.01 0.06 -0.12 0.00 0.08 0.00 0.00 27.48 27.50 1v61 h GLN 120 CO 0.00 -0.17 -0.04 -0.07 0.09 0.00 0.00 178.83 178.64 1v61 h LEU 121 N -0.26 -0.41 -2.03 0.06 3.38 -1.22 1.97 115.31 116.80 1v61 h LEU 121 Ca 0.16 0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.43 1v61 h LEU 121 Cb 0.57 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1v61 h LEU 121 CO -0.66 -0.18 0.31 0.78 0.09 0.00 0.00 178.44 178.78 1v61 h ASN 122 N 0.08 0.00 0.00 -0.43 2.35 0.15 0.05 115.58 117.78 1v61 h ASN 122 Ca 0.37 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 1v61 h ASN 122 Cb 0.61 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1v61 h ASN 122 CO -0.64 0.00 -0.36 -0.09 -1.65 0.00 0.00 177.43 174.69 1v61 h ARG 123 N 0.00 0.00 0.00 0.81 2.43 0.39 -2.74 114.38 115.28 1v61 h ARG 123 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1v61 h ARG 123 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1v61 h ARG 123 CO -0.00 0.08 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 1v61 n LEU 124 N -4.66 0.00 0.07 3.80 4.77 0.44 -1.65 117.00 119.76 1v61 n LEU 124 Ca -0.06 0.93 -0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1v61 n LEU 124 Cb 0.20 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 1v61 n LEU 124 CO 0.08 -0.43 0.64 0.71 -1.33 0.00 0.00 177.39 177.07 1v61 h THR 125 N 0.00 0.28 -3.25 -5.08 1.35 -1.21 -3.34 112.91 101.67 1v61 h THR 125 Ca 0.00 0.00 -0.74 0.00 -0.55 0.00 0.00 66.41 65.12 1v61 h THR 125 Cb 0.00 0.28 -0.26 0.00 -1.73 0.00 0.00 68.15 66.44 1v61 h THR 125 CO 0.00 0.00 -0.33 -0.75 -0.25 0.00 0.00 175.52 174.19 1v61 s LYS 126 N -5.99 2.77 -1.07 4.72 2.20 -0.97 -4.96 119.74 116.44 1v61 s LYS 126 Ca -0.16 -1.62 -0.15 0.00 -0.36 0.00 0.00 55.97 53.68 1v61 s LYS 126 Cb 0.09 -4.07 0.17 0.00 -1.51 0.00 0.00 37.83 32.51 1v61 s LYS 126 CO 0.65 -1.17 1.23 0.45 -0.36 0.00 0.00 175.35 176.15 1v61 s SER 127 N 2.90 6.92 0.65 1.43 0.15 -0.66 -3.50 113.70 121.59 1v61 s SER 127 Ca 0.04 -2.71 0.00 0.00 0.70 0.00 0.00 55.95 53.98 1v61 s SER 127 Cb -0.27 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1v61 s SER 127 CO 0.02 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.29 1v61 n GLY 128 N 4.41 0.83 3.77 9.45 0.00 -1.26 -4.75 105.19 117.64 1v61 n GLY 128 Ca 0.29 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1v61 n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v61 s PRO 129 N 0.00 0.16 -0.38 1.61 0.04 -1.26 -5.02 135.00 130.15 1v61 s PRO 129 Ca 0.00 -0.08 -0.12 0.00 0.04 0.00 0.00 61.00 60.84 1v61 s PRO 129 Cb 0.00 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.80 1v61 s PRO 129 CO 0.00 -2.79 0.23 -1.54 0.04 0.00 0.00 177.00 172.95 1v61 s SER 130 N -4.29 5.85 0.04 6.66 1.04 -1.26 -5.03 113.70 116.71 1v61 s SER 130 Ca 0.70 -0.94 -0.28 0.00 0.48 0.00 0.00 55.95 55.90 1v61 s SER 130 Cb -0.09 -2.07 0.09 0.00 0.10 0.00 0.00 66.02 64.06 1v61 s SER 130 CO 0.54 -0.40 1.06 -0.94 0.98 0.00 0.00 173.24 174.48 1v61 s SER 131 N 1.60 -0.18 0.00 7.02 1.04 -1.26 -5.28 113.70 116.63 1v61 s SER 131 Ca 0.03 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1v61 s SER 131 Cb -0.19 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1v61 s SER 131 CO 0.08 -0.61 0.02 0.61 0.98 0.00 0.00 173.24 174.31