#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v61 n SER 2 N 0.00 0.05 0.23 1.61 7.64 -1.26 -4.92 113.62 116.97 1v61 n SER 2 Ca 0.00 0.38 -0.17 0.00 1.01 0.00 0.00 58.87 60.09 1v61 n SER 2 Cb 0.00 0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 1v61 n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1v61 h SER 3 N 0.00 -1.41 0.00 6.43 0.87 -2.06 -3.46 113.55 113.93 1v61 h SER 3 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1v61 h SER 3 Cb 0.02 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1v61 h SER 3 CO 0.00 -0.61 0.00 0.61 -0.53 0.00 0.00 176.83 176.30 1v61 n GLY 4 N -1.52 0.97 2.82 5.77 0.00 -1.26 -4.62 105.19 107.35 1v61 n GLY 4 Ca -0.11 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 1v61 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v61 s SER 5 N -4.00 -1.45 -0.15 1.61 0.15 -1.26 -5.13 113.70 103.46 1v61 s SER 5 Ca 0.00 -1.59 -0.00 0.00 0.70 0.00 0.00 55.95 55.06 1v61 s SER 5 Cb 0.00 1.90 -0.01 0.00 -1.71 0.00 0.00 66.02 66.20 1v61 s SER 5 CO 0.00 -0.07 -0.14 -0.55 1.20 0.00 0.00 173.24 173.68 1v61 s SER 6 N 1.01 3.81 0.00 5.45 0.15 -1.26 -4.93 113.70 117.93 1v61 s SER 6 Ca 0.28 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1v61 s SER 6 Cb -0.00 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 1v61 s SER 6 CO -0.05 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1v61 n GLY 7 N 3.95 0.96 1.52 9.45 0.00 -1.26 -3.97 105.19 115.83 1v61 n GLY 7 Ca -0.19 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1v61 n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1v61 n GLN 8 N 0.00 -4.33 0.00 1.61 7.27 -1.26 -4.97 117.38 115.70 1v61 n GLN 8 Ca 0.00 3.20 0.00 0.00 0.07 0.00 0.00 57.00 60.27 1v61 n GLN 8 Cb 0.00 -3.59 0.00 0.00 2.41 0.00 0.00 30.24 29.06 1v61 n GLN 8 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1v61 n ILE 9 N -0.61 0.00 0.12 1.69 2.08 -1.26 -5.04 119.36 116.35 1v61 n ILE 9 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1v61 n ILE 9 Cb 0.00 -0.43 0.00 0.00 -0.75 0.00 0.00 39.64 38.46 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 -0.08 0.00 1.39 -0.00 -1.26 -5.11 117.00 111.94 1v61 n LEU 10 Ca 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 1v61 n LEU 10 Cb 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1v61 n LEU 10 CO 0.00 -0.75 0.00 -1.20 -0.00 0.00 0.00 177.39 175.44 1v61 n SER 11 N -3.35 0.00 -4.16 1.45 7.64 -1.26 -5.15 113.62 108.80 1v61 n SER 11 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1v61 n SER 11 Cb 0.00 0.19 0.05 0.00 -1.01 0.00 0.00 64.21 63.44 1v61 n SER 11 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1v61 n GLU 12 N -1.63 -0.00 -1.92 1.43 1.02 -1.26 -4.91 120.64 113.36 1v61 n GLU 12 Ca 0.00 0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.83 1v61 n GLU 12 Cb 0.00 -1.21 0.02 0.00 -0.02 0.00 0.00 31.44 30.23 1v61 n GLU 12 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1v61 s PRO 13 N -2.10 3.25 0.12 3.49 0.04 -1.26 -4.99 135.00 133.56 1v61 s PRO 13 Ca 0.49 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 1v61 s PRO 13 Cb -0.27 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1v61 s PRO 13 CO 0.75 -0.86 1.34 0.42 0.04 0.00 0.00 177.00 178.69 1v61 s ILE 14 N -2.67 3.42 0.48 0.56 1.01 -1.26 -4.83 121.20 117.91 1v61 s ILE 14 Ca 0.61 1.05 -0.22 0.00 0.00 0.00 0.00 60.65 62.10 1v61 s ILE 14 Cb -0.15 -3.67 -0.08 0.00 0.01 0.00 0.00 42.46 38.57 1v61 s ILE 14 CO 0.42 0.10 1.10 -1.58 0.00 0.00 0.00 174.94 174.98 1v61 s GLN 15 N 0.83 3.75 0.00 2.79 0.74 -0.83 -2.60 119.66 124.35 1v61 s GLN 15 Ca 0.62 1.57 0.00 0.00 0.05 0.00 0.00 55.36 57.60 1v61 s GLN 15 Cb -0.35 -2.25 0.00 0.00 1.10 0.00 0.00 33.01 31.51 1v61 s GLN 15 CO 0.32 -0.51 0.00 0.00 -0.55 0.00 0.00 175.29 174.55 1v61 n ALA 16 N -0.74 0.00 -2.32 1.58 0.00 -1.26 0.15 120.51 117.93 1v61 n ALA 16 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1v61 n ALA 16 Cb 0.50 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 1v61 n ALA 16 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1v61 s TRP 17 N -2.33 3.15 0.37 0.00 -0.11 -1.07 -4.75 118.94 114.20 1v61 s TRP 17 Ca 0.00 1.06 0.04 0.00 1.22 0.00 0.00 56.10 58.41 1v61 s TRP 17 Cb 0.00 -3.55 -0.03 0.00 -1.50 0.00 0.00 33.47 28.39 1v61 s TRP 17 CO 0.00 -1.87 0.13 -1.21 -4.62 0.00 0.00 176.95 169.38 1v61 s GLU 18 N 1.80 1.82 4.96 5.86 0.41 -1.26 -5.05 118.70 127.22 1v61 s GLU 18 Ca 0.61 -2.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.09 1v61 s GLU 18 Cb -0.30 -0.52 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 1v61 s GLU 18 CO 0.27 -0.43 0.00 0.41 -0.49 0.00 0.00 175.26 175.01 1v61 n GLY 19 N -0.80 0.93 2.78 -1.39 0.00 -1.26 -4.88 105.19 100.56 1v61 n GLY 19 Ca -0.04 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 5.70 2.10 -4.66 1.61 9.92 -1.26 -5.10 116.55 124.86 1v61 n ASP 20 Ca 0.00 -2.31 -0.31 0.00 -0.53 0.00 0.00 54.79 51.64 1v61 n ASP 20 Cb 0.00 -0.10 0.17 0.00 -0.64 0.00 0.00 41.12 40.56 1v61 n ASP 20 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1v61 n ASP 21 N -2.03 0.19 0.08 -2.24 8.00 -1.26 -4.92 116.55 114.37 1v61 n ASP 21 Ca 0.02 0.39 -0.02 0.00 0.71 0.00 0.00 54.79 55.88 1v61 n ASP 21 Cb 0.45 -1.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.03 1v61 n ASP 21 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1v61 h ILE 22 N -1.94 1.13 0.00 0.53 2.10 -1.96 -3.13 117.51 114.24 1v61 h ILE 22 Ca -0.44 -2.67 0.00 0.00 1.08 0.00 0.00 64.86 62.83 1v61 h ILE 22 Cb 1.27 2.53 0.00 0.00 -1.09 0.00 0.00 36.82 39.54 1v61 h ILE 22 CO 0.41 0.65 0.00 0.11 -1.08 0.00 0.00 178.15 178.24 1v61 h LYS 23 N 0.00 0.00 -0.01 2.19 1.79 -1.92 0.12 116.57 118.75 1v61 h LYS 23 Ca -0.05 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.27 1v61 h LYS 23 Cb 1.60 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.23 1v61 h LYS 23 CO 0.09 0.00 -0.73 1.79 -1.08 0.00 0.00 179.45 179.51 1v61 h THR 24 N 0.00 1.51 0.13 -0.16 1.35 -1.92 -3.30 112.91 110.53 1v61 h THR 24 Ca 0.00 -2.46 -0.01 0.00 -0.55 0.00 0.00 66.41 63.40 1v61 h THR 24 Cb 0.04 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1v61 h THR 24 CO 0.00 0.71 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.84 1v61 h LEU 25 N 0.03 -0.15 0.00 3.87 3.38 -0.95 -3.51 115.31 117.98 1v61 h LEU 25 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1v61 h LEU 25 Cb 1.30 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1v61 h LEU 25 CO 0.10 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1v61 n GLY 26 N 1.02 -0.28 0.00 0.83 0.00 -1.11 -4.83 105.19 100.83 1v61 n GLY 26 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1v61 n GLY 26 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1v61 n ASN 27 N 0.00 1.66 -4.09 1.61 6.94 -1.26 -4.56 115.26 115.55 1v61 n ASN 27 Ca 0.00 -0.18 -0.33 0.00 -0.02 0.00 0.00 54.58 54.05 1v61 n ASN 27 Cb 0.00 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.28 1v61 n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1v61 s VAL 28 N 0.33 2.65 0.00 3.53 1.01 -1.25 -3.95 120.40 122.71 1v61 s VAL 28 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1v61 s VAL 28 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1v61 s VAL 28 CO 0.00 -0.39 0.71 -0.38 0.00 0.00 0.00 175.10 175.04 1v61 n ILE 29 N 4.45 0.00 -4.06 2.22 5.41 0.56 -4.33 119.36 123.61 1v61 n ILE 29 Ca -0.05 1.21 -0.30 0.00 1.00 0.00 0.00 62.75 64.61 1v61 n ILE 29 Cb 0.42 -2.21 -0.16 0.00 -0.71 0.00 0.00 39.64 36.98 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 -1.85 2.13 -0.11 1.39 2.19 -1.25 -4.82 117.98 115.65 1v61 s PHE 30 Ca 0.00 -1.17 0.03 0.00 0.33 0.00 0.00 56.93 56.12 1v61 s PHE 30 Cb 0.00 -1.57 0.01 0.00 -1.31 0.00 0.00 43.02 40.15 1v61 s PHE 30 CO 0.00 -0.65 -0.21 1.41 1.83 0.00 0.00 175.22 177.60 1v61 s MET 31 N 1.44 2.80 0.26 10.12 -2.45 -1.26 -3.34 119.30 126.88 1v61 s MET 31 Ca 0.04 -0.78 -0.20 0.00 -1.25 0.00 0.00 55.69 53.49 1v61 s MET 31 Cb -0.13 -2.21 0.02 0.00 1.25 0.00 0.00 34.83 33.76 1v61 s MET 31 CO -0.10 0.06 0.67 -1.12 1.05 0.00 0.00 175.02 175.58 1v61 s SER 32 N 0.64 -0.27 -0.55 1.11 0.01 -1.25 -5.06 113.70 108.32 1v61 s SER 32 Ca -0.12 -0.58 -0.24 0.00 1.31 0.00 0.00 55.95 56.32 1v61 s SER 32 Cb -0.16 0.69 0.04 0.00 0.21 0.00 0.00 66.02 66.80 1v61 s SER 32 CO 0.03 -1.28 0.94 -1.58 0.41 0.00 0.00 173.24 171.76 1v61 s GLN 33 N -3.91 3.32 0.57 12.44 0.74 -1.26 -3.50 119.66 128.05 1v61 s GLN 33 Ca 0.11 -0.30 0.08 0.00 0.05 0.00 0.00 55.36 55.29 1v61 s GLN 33 Cb -0.05 -4.06 0.07 0.00 1.10 0.00 0.00 33.01 30.07 1v61 s GLN 33 CO 0.05 -1.49 0.61 0.14 -0.55 0.00 0.00 175.29 174.04 1v61 s VAL 34 N 3.93 1.83 -0.09 1.34 -7.23 -0.11 -4.95 120.40 115.12 1v61 s VAL 34 Ca 0.30 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1v61 s VAL 34 Cb -0.13 -2.08 0.04 0.00 0.56 0.00 0.00 36.38 34.77 1v61 s VAL 34 CO 0.19 0.00 0.04 -0.69 -0.31 0.00 0.00 175.10 174.32 1v61 s VAL 35 N -2.74 0.17 -0.05 1.32 1.01 -1.26 -0.60 120.40 118.25 1v61 s VAL 35 Ca 0.47 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 1v61 s VAL 35 Cb -0.04 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.89 1v61 s VAL 35 CO 0.30 0.10 0.03 -0.32 0.00 0.00 0.00 175.10 175.20 1v61 s MET 36 N 2.05 0.24 0.05 2.72 -2.45 0.56 -0.81 119.30 121.66 1v61 s MET 36 Ca 0.04 0.22 0.07 0.00 -1.25 0.00 0.00 55.69 54.77 1v61 s MET 36 Cb -0.13 -0.67 -0.03 0.00 1.25 0.00 0.00 34.83 35.25 1v61 s MET 36 CO -0.05 -0.28 -0.19 -1.14 1.05 0.00 0.00 175.02 174.40 1v61 s GLN 37 N 1.88 1.23 0.06 4.11 2.00 -1.26 -4.34 119.66 123.34 1v61 s GLN 37 Ca 0.02 -0.93 -0.17 0.00 -2.00 0.00 0.00 55.36 52.28 1v61 s GLN 37 Cb -0.12 -1.34 -0.06 0.00 0.80 0.00 0.00 33.01 32.29 1v61 s GLN 37 CO -0.04 0.33 1.28 1.25 -0.50 0.00 0.00 175.29 177.62 1v61 h HIS 38 N 4.76 -0.86 0.00 1.67 -0.00 -1.97 -3.41 115.15 115.34 1v61 h HIS 38 Ca -0.42 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 1v61 h HIS 38 Cb 1.17 0.40 0.00 0.00 -0.00 0.00 0.00 27.41 28.98 1v61 h HIS 38 CO 0.53 -0.26 0.00 0.41 -0.00 0.00 0.00 177.93 178.61 1v61 n GLY 39 N -1.20 1.39 3.56 5.26 0.00 -1.26 -4.81 105.19 108.13 1v61 n GLY 39 Ca -0.02 0.24 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 1.11 0.30 4.61 0.00 -1.26 -4.85 121.76 120.67 1v61 s ALA 40 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1v61 s ALA 40 Cb 0.00 -4.48 -0.04 0.00 0.00 0.00 0.00 23.12 18.59 1v61 s ALA 40 CO 0.00 -5.29 0.12 0.00 0.00 0.00 0.00 175.76 170.60 1v61 n GLU 42 N -0.59 0.00 -1.68 0.00 1.02 -1.26 -4.83 120.64 113.30 1v61 n GLU 42 Ca -0.00 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1v61 n GLU 42 Cb 0.66 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1v61 n GLU 42 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v61 n GLU 43 N -2.24 0.59 -1.39 3.49 -0.58 -1.26 -5.14 120.64 114.11 1v61 n GLU 43 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 1v61 n GLU 43 Cb 0.00 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 30.95 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 -1.52 2.29 -0.31 3.49 -2.85 -1.26 -4.99 119.74 114.59 1v61 s LYS 44 Ca 0.00 1.35 -0.02 0.00 -1.00 0.00 0.00 55.97 56.31 1v61 s LYS 44 Cb 0.00 -1.89 0.05 0.00 -2.06 0.00 0.00 37.83 33.94 1v61 s LYS 44 CO 0.00 -1.64 0.02 -2.00 0.10 0.00 0.00 175.35 171.82 1v61 s GLU 45 N -4.48 2.40 -0.05 1.78 2.56 -1.26 -5.01 118.70 114.64 1v61 s GLU 45 Ca 0.65 -1.31 -0.20 0.00 0.00 0.00 0.00 54.97 54.11 1v61 s GLU 45 Cb -0.20 -3.22 -0.05 0.00 2.00 0.00 0.00 34.13 32.66 1v61 s GLU 45 CO 0.50 -0.66 0.58 -2.00 -0.56 0.00 0.00 175.26 173.12 1v61 s GLU 46 N 1.25 4.33 0.26 4.30 -6.30 -1.26 0.21 118.70 121.48 1v61 s GLU 46 Ca -0.04 0.67 -0.13 0.00 -2.50 0.00 0.00 54.97 52.96 1v61 s GLU 46 Cb -0.20 -3.39 -0.00 0.00 0.00 0.00 0.00 34.13 30.54 1v61 s GLU 46 CO -0.01 0.26 0.51 1.03 0.02 0.00 0.00 175.26 177.06 1v61 s ARG 47 N 0.22 1.59 -0.12 4.30 0.52 0.24 -4.88 118.95 120.82 1v61 s ARG 47 Ca 0.31 -1.24 -0.02 0.00 -0.52 0.00 0.00 55.73 54.26 1v61 s ARG 47 Cb -0.17 0.49 -0.03 0.00 0.52 0.00 0.00 34.95 35.76 1v61 s ARG 47 CO 0.15 -0.67 -0.05 -0.47 0.02 0.00 0.00 175.30 174.27 1v61 s TYR 48 N -3.95 2.98 -0.17 -0.53 5.04 0.64 -0.93 117.35 120.43 1v61 s TYR 48 Ca 0.21 -0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.67 1v61 s TYR 48 Cb -0.01 -1.85 0.01 0.00 0.35 0.00 0.00 41.96 40.46 1v61 s TYR 48 CO 0.09 0.11 -0.19 -0.06 -1.34 0.00 0.00 175.55 174.17 1v61 s PHE 49 N -0.14 2.77 -0.34 4.97 0.40 -1.23 0.52 117.98 124.93 1v61 s PHE 49 Ca 0.02 -1.45 -0.06 0.00 -0.60 0.00 0.00 56.93 54.84 1v61 s PHE 49 Cb -0.13 -1.91 0.04 0.00 0.51 0.00 0.00 43.02 41.54 1v61 s PHE 49 CO 0.03 -0.71 0.11 -0.51 0.70 0.00 0.00 175.22 174.84 1v61 s LEU 50 N 1.14 4.35 -0.40 -0.37 1.43 0.34 -3.94 118.68 121.24 1v61 s LEU 50 Ca 0.01 -1.20 -0.24 0.00 -1.03 0.00 0.00 54.13 51.67 1v61 s LEU 50 Cb -0.14 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1v61 s LEU 50 CO -0.08 -0.34 0.83 -0.22 0.23 0.00 0.00 176.35 176.77 1v61 s LEU 51 N 1.38 4.12 0.00 1.79 2.96 -1.21 -0.71 118.68 127.01 1v61 s LEU 51 Ca -0.01 0.22 0.24 0.00 -0.22 0.00 0.00 54.13 54.35 1v61 s LEU 51 Cb -0.20 -3.07 0.25 0.00 0.50 0.00 0.00 46.19 43.67 1v61 s LEU 51 CO 0.02 -0.85 1.25 0.49 -1.32 0.00 0.00 176.35 175.94 1v61 n PHE 52 N 6.67 0.00 0.00 5.38 3.01 -0.62 0.21 117.46 132.11 1v61 n PHE 52 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1v61 n PHE 52 Cb 0.48 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 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 -0.37 0.00 0.00 4.37 3.41 -1.26 -4.47 113.62 115.30 1v61 n SER 53 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1v61 n SER 53 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1v61 n SER 53 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1v61 n SER 54 N 0.00 0.45 -3.63 4.04 2.88 -1.26 -4.88 113.62 111.23 1v61 n SER 54 Ca 0.00 -0.80 -0.04 0.00 -1.33 0.00 0.00 58.87 56.70 1v61 n SER 54 Cb 0.00 0.19 -0.04 0.00 -0.75 0.00 0.00 64.21 63.60 1v61 n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1v61 s VAL 55 N -0.19 0.00 -0.64 2.46 0.11 -1.26 -3.26 120.40 117.62 1v61 s VAL 55 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1v61 s VAL 55 Cb 0.00 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 34.02 1v61 s VAL 55 CO 0.00 0.00 0.54 -0.22 -3.33 0.00 0.00 175.10 172.09 1v61 s LEU 56 N -1.05 6.04 0.21 2.54 1.98 0.56 -1.58 118.68 127.38 1v61 s LEU 56 Ca 0.06 -2.39 -0.30 0.00 -2.89 0.00 0.00 54.13 48.61 1v61 s LEU 56 Cb -0.01 -2.07 -0.08 0.00 0.66 0.00 0.00 46.19 44.69 1v61 s LEU 56 CO -0.05 -0.60 1.03 -0.63 -1.89 0.00 0.00 176.35 174.20 1v61 s ILE 57 N 0.64 3.93 -0.07 6.68 -1.09 0.12 -1.95 121.20 129.46 1v61 s ILE 57 Ca 0.12 1.81 0.05 0.00 -2.23 0.00 0.00 60.65 60.41 1v61 s ILE 57 Cb -0.20 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.52 1v61 s ILE 57 CO -0.04 0.38 -0.24 -0.04 -1.23 0.00 0.00 174.94 173.77 1v61 s MET 58 N -0.86 2.64 0.20 2.79 -1.94 -1.23 0.13 119.30 121.02 1v61 s MET 58 Ca 0.45 -0.87 0.10 0.00 -1.71 0.00 0.00 55.69 53.66 1v61 s MET 58 Cb -0.28 -2.15 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 1v61 s MET 58 CO 0.35 0.30 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.94 1v61 s LEU 59 N 0.02 2.47 -0.14 -0.03 1.02 0.19 -0.69 118.68 121.52 1v61 s LEU 59 Ca -0.09 -0.90 -0.07 0.00 0.02 0.00 0.00 54.13 53.10 1v61 s LEU 59 Cb -0.15 -1.00 0.06 0.00 0.02 0.00 0.00 46.19 45.11 1v61 s LEU 59 CO 0.05 0.03 0.32 -0.94 0.02 0.00 0.00 176.35 175.83 1v61 s SER 60 N -2.85 -0.26 -0.70 2.29 1.04 -0.32 -0.26 113.70 112.65 1v61 s SER 60 Ca 0.21 0.70 -0.17 0.00 0.48 0.00 0.00 55.95 57.16 1v61 s SER 60 Cb -0.06 0.65 0.14 0.00 0.10 0.00 0.00 66.02 66.85 1v61 s SER 60 CO 0.09 -0.19 0.76 0.00 0.98 0.00 0.00 173.24 174.89 1v61 s ALA 61 N 1.59 3.60 -0.11 5.32 0.00 -1.26 -2.83 121.76 128.06 1v61 s ALA 61 Ca -0.07 -2.62 -0.17 0.00 0.00 0.00 0.00 51.96 49.10 1v61 s ALA 61 Cb -0.10 -3.58 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 1v61 s ALA 61 CO -0.10 -2.40 0.49 0.77 0.00 0.00 0.00 175.76 174.52 1v61 h SER 62 N 8.76 -0.03 1.48 0.00 0.02 -1.96 -3.32 113.55 118.50 1v61 h SER 62 Ca -0.13 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1v61 h SER 62 Cb 1.07 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1v61 h SER 62 CO 1.01 0.71 -0.02 1.55 -1.14 0.00 0.00 176.83 178.95 1v61 h PRO 63 N -0.98 0.00 -4.69 3.45 0.13 -2.00 -3.48 132.00 124.43 1v61 h PRO 63 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1v61 h PRO 63 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1v61 h PRO 63 CO 0.01 0.02 -0.79 -2.13 -0.23 0.00 0.00 178.00 174.88 1v61 n ARG 64 N -3.11 -2.79 -3.58 0.86 0.63 -1.25 -5.08 116.66 102.34 1v61 n ARG 64 Ca 0.02 2.33 0.02 0.00 -0.92 0.00 0.00 57.85 59.30 1v61 n ARG 64 Cb 0.42 -4.49 -0.01 0.00 0.45 0.00 0.00 32.46 28.84 1v61 n ARG 64 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1v61 s MET 65 N -1.30 0.09 -0.49 -0.14 1.75 -1.26 -5.11 119.30 112.83 1v61 s MET 65 Ca 0.00 -0.04 -0.46 0.00 -1.25 0.00 0.00 55.69 53.94 1v61 s MET 65 Cb -0.00 0.03 -0.20 0.00 2.84 0.00 0.00 34.83 37.50 1v61 s MET 65 CO 0.62 -0.04 1.62 0.43 -0.65 0.00 0.00 175.02 177.01 1v61 n SER 66 N -0.39 1.16 0.00 1.11 7.64 -1.26 -4.57 113.62 117.30 1v61 n SER 66 Ca -0.06 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1v61 n SER 66 Cb 0.62 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1v61 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v61 n GLY 67 N 4.24 2.01 3.36 0.23 0.00 -1.26 -5.11 105.19 108.67 1v61 n GLY 67 Ca 0.33 -2.10 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.93 1.64 -0.23 1.61 0.08 -1.26 -4.90 117.98 112.99 1v61 s PHE 68 Ca 0.00 -1.30 -0.01 0.00 0.12 0.00 0.00 56.93 55.75 1v61 s PHE 68 Cb 0.00 -0.94 0.06 0.00 -0.57 0.00 0.00 43.02 41.58 1v61 s PHE 68 CO 0.00 -0.42 0.00 1.41 -0.10 0.00 0.00 175.22 176.11 1v61 s MET 69 N -3.84 1.13 0.48 0.44 -2.45 -1.13 -1.97 119.30 111.96 1v61 s MET 69 Ca 0.35 -0.79 -0.24 0.00 -1.25 0.00 0.00 55.69 53.76 1v61 s MET 69 Cb 0.05 -2.35 -0.08 0.00 1.25 0.00 0.00 34.83 33.71 1v61 s MET 69 CO 0.16 -0.66 1.28 0.98 1.05 0.00 0.00 175.02 177.83 1v61 n TYR 70 N 4.84 2.12 -3.27 4.11 9.36 0.41 -1.17 117.16 133.55 1v61 n TYR 70 Ca -0.09 0.47 -0.05 0.00 3.32 0.00 0.00 57.90 61.54 1v61 n TYR 70 Cb 0.45 -2.36 -0.05 0.00 -0.63 0.00 0.00 39.34 36.75 1v61 n TYR 70 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1v61 s GLN 71 N -2.48 0.45 0.60 2.98 -1.52 0.14 -4.68 119.66 115.14 1v61 s GLN 71 Ca 0.65 0.40 0.00 0.00 -1.95 0.00 0.00 55.36 54.46 1v61 s GLN 71 Cb -0.47 -0.14 0.00 0.00 -0.22 0.00 0.00 33.01 32.19 1v61 s GLN 71 CO 0.54 -0.90 0.00 0.41 -0.25 0.00 0.00 175.29 175.09 1v61 n GLY 72 N 5.38 -3.44 2.99 3.09 0.00 -1.26 -4.30 105.19 107.64 1v61 n GLY 72 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.72 0.15 -0.31 1.61 -2.85 -1.26 -3.55 119.74 108.81 1v61 s LYS 73 Ca 0.00 0.33 -0.08 0.00 -1.00 0.00 0.00 55.97 55.22 1v61 s LYS 73 Cb 0.00 -0.05 0.01 0.00 -2.06 0.00 0.00 37.83 35.72 1v61 s LYS 73 CO 0.00 -0.10 0.12 0.42 0.10 0.00 0.00 175.35 175.89 1v61 s ILE 74 N 0.71 4.23 0.12 3.79 1.01 -0.82 -4.91 121.20 125.33 1v61 s ILE 74 Ca -0.05 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 1v61 s ILE 74 Cb -0.07 -3.21 -0.07 0.00 0.01 0.00 0.00 42.46 39.12 1v61 s ILE 74 CO -0.04 0.02 1.14 -2.16 0.00 0.00 0.00 174.94 173.90 1v61 s PRO 75 N 1.54 4.52 0.45 2.79 0.04 -1.26 0.21 135.00 143.29 1v61 s PRO 75 Ca 0.03 1.73 0.26 0.00 0.04 0.00 0.00 61.00 63.06 1v61 s PRO 75 Cb -0.18 -3.31 1.30 0.00 0.04 0.00 0.00 34.50 32.35 1v61 s PRO 75 CO 0.04 -0.07 1.75 0.82 0.04 0.00 0.00 177.00 179.59 1v61 h ILE 76 N 4.08 0.42 -3.20 0.56 1.08 -1.88 -3.29 117.51 115.27 1v61 h ILE 76 Ca -0.43 -0.08 -0.53 0.00 -0.39 0.00 0.00 64.86 63.44 1v61 h ILE 76 Cb 1.21 0.17 0.03 0.00 -3.07 0.00 0.00 36.82 35.17 1v61 h ILE 76 CO 0.76 0.04 0.70 0.00 -0.69 0.00 0.00 178.15 178.96 1v61 s ALA 77 N -5.29 3.57 0.00 1.87 0.00 -1.26 -1.74 121.76 118.91 1v61 s ALA 77 Ca -0.07 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1v61 s ALA 77 Cb 0.25 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1v61 s ALA 77 CO 0.81 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1v61 n GLY 78 N 2.87 1.28 3.77 0.00 0.00 -1.26 -4.95 105.19 106.91 1v61 n GLY 78 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.17 4.14 -0.27 1.61 0.00 -0.71 -4.30 119.30 119.60 1v61 s MET 79 Ca 0.00 2.36 0.03 0.00 0.00 0.00 0.00 55.69 58.08 1v61 s MET 79 Cb 0.00 -2.95 0.07 0.00 0.00 0.00 0.00 34.83 31.95 1v61 s MET 79 CO 0.00 -0.42 -0.07 0.08 0.00 0.00 0.00 175.02 174.61 1v61 s VAL 80 N -1.16 2.11 0.10 10.11 1.01 0.12 -4.95 120.40 127.74 1v61 s VAL 80 Ca 0.53 -1.73 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1v61 s VAL 80 Cb -0.42 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1v61 s VAL 80 CO 0.56 -0.16 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 1v61 s VAL 81 N 1.10 1.19 0.00 2.92 1.01 -1.26 -2.19 120.40 123.17 1v61 s VAL 81 Ca -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1v61 s VAL 81 Cb -0.20 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1v61 s VAL 81 CO -0.06 -0.35 0.00 -0.46 0.00 0.00 0.00 175.10 174.23 1v61 n ASN 82 N 0.87 0.00 0.00 3.32 0.23 -1.26 -4.97 115.26 113.45 1v61 n ASN 82 Ca -0.18 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.01 1v61 n ASN 82 Cb 0.56 0.00 0.86 0.00 -2.08 0.00 0.00 39.78 39.12 1v61 n ASN 82 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1v61 n ARG 83 N -0.25 0.90 -0.95 -3.83 1.74 -1.26 -3.83 116.66 109.18 1v61 n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1v61 n ARG 83 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1v61 n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1v61 n LEU 84 N -1.00 0.55 -0.01 0.55 4.77 -1.26 -4.50 117.00 116.10 1v61 n LEU 84 Ca 0.22 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.23 1v61 n LEU 84 Cb 0.10 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 39.65 1v61 n LEU 84 CO 0.16 -0.50 -0.65 -0.67 -1.33 0.00 0.00 177.39 174.40 1v61 n ASP 85 N -0.45 2.81 0.00 -1.43 2.03 -1.26 -4.98 116.55 113.27 1v61 n ASP 85 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1v61 n ASP 85 Cb 0.23 1.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.91 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 -1.94 0.00 0.00 -0.67 1.02 -1.26 -4.95 120.64 112.84 1v61 n GLU 86 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1v61 n GLU 86 Cb 0.36 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 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 -2.00 0.00 -2.32 -3.67 2.08 -1.26 -5.04 119.36 107.15 1v61 n ILE 87 Ca 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.29 1v61 n ILE 87 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 38.88 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 0.26 0.00 0.38 1.02 -1.26 -4.99 120.64 116.04 1v61 n GLU 88 Ca 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.53 1v61 n GLU 88 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.01 -0.26 4.00 0.62 0.00 -1.26 -5.05 105.19 103.24 1v61 n GLY 89 Ca -0.11 0.55 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 1v61 n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v61 n SER 90 N 0.00 -4.28 -4.29 1.61 2.88 -1.26 -4.75 113.62 103.52 1v61 n SER 90 Ca 0.00 -1.24 -0.41 0.00 -1.33 0.00 0.00 58.87 55.89 1v61 n SER 90 Cb 0.00 -2.05 0.00 0.00 -0.75 0.00 0.00 64.21 61.42 1v61 n SER 90 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1v61 n ASP 91 N -2.28 -3.00 0.00 -3.46 8.00 -1.26 -4.73 116.55 109.82 1v61 n ASP 91 Ca -0.11 0.78 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1v61 n ASP 91 Cb 0.57 -0.88 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1v61 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v61 s MET 93 N -0.90 0.69 0.07 0.00 0.23 -1.26 -4.74 119.30 113.39 1v61 s MET 93 Ca 0.00 -0.43 -0.09 0.00 -1.03 0.00 0.00 55.69 54.14 1v61 s MET 93 Cb 0.00 0.20 0.00 0.00 -1.53 0.00 0.00 34.83 33.50 1v61 s MET 93 CO 0.00 -0.32 0.19 -0.59 -2.03 0.00 0.00 175.02 172.27 1v61 s PHE 94 N -2.21 0.12 0.38 3.16 -0.71 -1.26 -4.22 117.98 113.24 1v61 s PHE 94 Ca 0.23 -0.48 0.08 0.00 -1.04 0.00 0.00 56.93 55.72 1v61 s PHE 94 Cb -0.00 -0.05 -0.07 0.00 -1.21 0.00 0.00 43.02 41.69 1v61 s PHE 94 CO 0.00 -0.51 -0.00 -1.83 -1.34 0.00 0.00 175.22 171.54 1v61 s GLU 95 N -3.46 1.97 -0.31 1.99 -1.05 -1.25 -2.84 118.70 113.75 1v61 s GLU 95 Ca 0.02 -1.95 -0.02 0.00 -0.15 0.00 0.00 54.97 52.87 1v61 s GLU 95 Cb 0.03 -1.76 0.10 0.00 -0.44 0.00 0.00 34.13 32.07 1v61 s GLU 95 CO -0.09 0.04 0.12 0.42 0.95 0.00 0.00 175.26 176.71 1v61 s ILE 96 N -2.63 0.51 0.26 1.83 1.01 0.04 -4.26 121.20 117.96 1v61 s ILE 96 Ca 0.35 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1v61 s ILE 96 Cb 0.05 -1.40 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 1v61 s ILE 96 CO 0.18 -0.73 0.04 0.35 0.00 0.00 0.00 174.94 174.79 1v61 n THR 97 N 4.87 0.00 0.00 2.92 -2.24 -0.93 -2.64 114.28 116.26 1v61 n THR 97 Ca -0.02 -1.38 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 1v61 n THR 97 Cb 0.41 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.01 3.93 5.00 3.38 0.00 -1.26 0.12 105.19 117.36 1v61 n GLY 98 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.03 1.61 2.88 -1.26 -4.70 113.62 111.12 1v61 n SER 99 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1v61 n SER 99 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1v61 n SER 99 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1v61 n THR 100 N 0.00 0.00 0.00 2.46 -2.24 -1.26 -5.05 114.28 108.19 1v61 n THR 100 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1v61 n THR 100 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1v61 n THR 100 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1v61 n VAL 101 N 0.00 0.00 -1.69 2.28 3.14 -1.26 -5.09 118.33 115.70 1v61 n VAL 101 Ca 0.00 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.94 1v61 n VAL 101 Cb 0.00 -0.25 -0.02 0.00 -1.06 0.00 0.00 33.84 32.51 1v61 n VAL 101 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1v61 n GLU 102 N -2.14 2.26 -3.45 1.45 0.00 -1.26 -4.94 120.64 112.57 1v61 n GLU 102 Ca 0.00 0.80 -0.37 0.00 0.00 0.00 0.00 57.16 57.59 1v61 n GLU 102 Cb 0.00 -2.50 -0.07 0.00 0.00 0.00 0.00 31.44 28.86 1v61 n GLU 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1v61 s ARG 103 N -0.41 4.22 -0.50 5.31 3.52 -1.26 -4.74 118.95 125.08 1v61 s ARG 103 Ca 0.67 0.16 -0.21 0.00 -0.13 0.00 0.00 55.73 56.22 1v61 s ARG 103 Cb -0.60 -3.49 0.04 0.00 -1.56 0.00 0.00 34.95 29.35 1v61 s ARG 103 CO 0.49 0.08 0.72 0.42 -0.81 0.00 0.00 175.30 176.20 1v61 s ILE 104 N 0.93 4.73 -0.65 4.11 1.01 -1.08 -4.71 121.20 125.53 1v61 s ILE 104 Ca 0.18 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.53 1v61 s ILE 104 Cb -0.14 -4.34 0.13 0.00 0.01 0.00 0.00 42.46 38.12 1v61 s ILE 104 CO 0.07 -0.83 0.72 -0.69 0.00 0.00 0.00 174.94 174.20 1v61 s VAL 105 N 3.04 4.99 -0.23 2.92 1.01 -1.26 -0.78 120.40 130.08 1v61 s VAL 105 Ca 0.21 -1.35 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 1v61 s VAL 105 Cb -0.16 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1v61 s VAL 105 CO 0.16 -1.11 0.92 -0.69 0.00 0.00 0.00 175.10 174.38 1v61 s VAL 106 N 2.14 4.77 0.82 2.92 1.01 -1.13 -3.70 120.40 127.23 1v61 s VAL 106 Ca 0.13 1.78 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 1v61 s VAL 106 Cb -0.21 -4.20 0.08 0.00 0.00 0.00 0.00 36.38 32.05 1v61 s VAL 106 CO 0.02 -0.12 1.09 -1.00 0.00 0.00 0.00 175.10 175.09 1v61 s HIS 107 N 2.98 2.58 0.14 5.22 3.76 0.01 -4.23 115.29 125.74 1v61 s HIS 107 Ca 0.39 1.33 -0.16 0.00 -0.15 0.00 0.00 55.06 56.48 1v61 s HIS 107 Cb -0.15 -3.09 0.03 0.00 1.11 0.00 0.00 32.58 30.48 1v61 s HIS 107 CO 0.07 -1.97 0.41 0.00 -0.85 0.00 0.00 174.74 172.40 1v61 n ASN 109 N -0.24 2.10 -2.61 0.00 3.02 -1.26 -5.04 115.26 111.23 1v61 n ASN 109 Ca -0.15 -2.62 -0.00 0.00 -0.03 0.00 0.00 54.58 51.78 1v61 n ASN 109 Cb 0.64 -0.26 -0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1v61 n ASN 109 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1v61 n ASN 110 N -1.02 -7.45 -3.30 6.41 4.13 -1.26 -5.07 115.26 107.70 1v61 n ASN 110 Ca 0.09 1.32 -0.09 0.00 1.68 0.00 0.00 54.58 57.58 1v61 n ASN 110 Cb 0.50 -4.98 -0.00 0.00 -1.54 0.00 0.00 39.78 33.76 1v61 n ASN 110 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1v61 s ASN 111 N -1.48 0.06 0.44 6.41 0.01 -1.26 -5.01 114.94 114.11 1v61 s ASN 111 Ca -0.00 -1.04 0.12 0.00 -0.71 0.00 0.00 52.86 51.23 1v61 s ASN 111 Cb 0.00 0.77 1.03 0.00 0.41 0.00 0.00 41.25 43.46 1v61 s ASN 111 CO 0.72 -1.50 2.04 -0.61 -1.51 0.00 0.00 177.10 176.23 1v61 h GLN 112 N 2.04 0.36 0.12 -0.60 4.15 -2.00 -1.73 115.11 117.46 1v61 h GLN 112 Ca -0.28 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.11 1v61 h GLN 112 Cb 1.25 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1v61 h GLN 112 CO 0.36 0.24 -0.06 -0.44 -1.93 0.00 0.00 178.83 177.00 1v61 h ASP 113 N 0.37 -0.14 -0.11 -0.69 3.32 -1.99 -0.40 116.42 116.78 1v61 h ASP 113 Ca 0.18 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.18 1v61 h ASP 113 Cb 0.26 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 1v61 h ASP 113 CO -0.04 0.01 -0.34 0.15 -1.72 0.00 0.00 179.24 177.29 1v61 h PHE 114 N -0.28 -0.95 -0.21 4.55 3.57 -1.72 -1.57 116.94 120.32 1v61 h PHE 114 Ca -0.02 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1v61 h PHE 114 Cb 0.23 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1v61 h PHE 114 CO -0.03 -0.42 -0.13 0.37 -2.23 0.00 0.00 178.31 175.87 1v61 h GLN 115 N -0.43 -0.11 -0.52 1.11 -0.00 -1.37 -2.47 115.11 111.33 1v61 h GLN 115 Ca 0.09 0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.80 1v61 h GLN 115 Cb 0.57 0.03 -0.08 0.00 0.00 0.00 0.00 27.48 27.99 1v61 h GLN 115 CO -0.35 -0.07 -0.49 1.49 0.00 0.00 0.00 178.83 179.41 1v61 h GLU 116 N -0.11 -0.22 -0.82 1.69 4.57 -0.37 1.58 114.58 120.90 1v61 h GLU 116 Ca 0.12 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.46 1v61 h GLU 116 Cb 0.29 0.05 -0.15 0.00 -0.16 0.00 0.00 28.75 28.79 1v61 h GLU 116 CO -0.28 -0.15 -0.32 -1.49 -1.18 0.00 0.00 179.01 175.59 1v61 h TRP 117 N -0.23 -0.84 -0.69 0.92 4.06 -0.96 0.84 115.95 119.06 1v61 h TRP 117 Ca 0.09 0.09 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 1v61 h TRP 117 Cb 0.46 0.49 -0.03 0.00 -1.00 0.00 0.00 29.16 29.08 1v61 h TRP 117 CO -0.81 -0.39 0.38 0.52 -3.56 0.00 0.00 178.44 174.58 1v61 h MET 118 N -0.05 0.96 0.40 0.49 2.86 -0.15 0.37 114.93 119.81 1v61 h MET 118 Ca 0.33 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1v61 h MET 118 Cb 0.59 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1v61 h MET 118 CO -0.86 0.72 -0.42 0.93 1.06 0.00 0.00 176.91 178.35 1v61 h GLU 119 N 0.95 -0.79 0.56 1.72 4.39 0.87 0.13 114.58 122.40 1v61 h GLU 119 Ca 0.24 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.97 1v61 h GLU 119 Cb 0.04 0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1v61 h GLU 119 CO -0.04 -0.53 -0.27 -0.56 -1.16 0.00 0.00 179.01 176.45 1v61 h GLN 120 N -0.82 -0.73 -1.46 2.33 3.07 -0.34 -1.55 115.11 115.60 1v61 h GLN 120 Ca -0.05 0.05 0.42 0.00 0.09 0.00 0.00 58.65 59.16 1v61 h GLN 120 Cb 0.71 0.17 -0.06 0.00 0.08 0.00 0.00 27.48 28.38 1v61 h GLN 120 CO -0.06 -0.48 1.05 -0.07 0.09 0.00 0.00 178.83 179.36 1v61 h LEU 121 N -0.76 0.01 -0.40 0.06 3.38 -0.20 2.47 115.31 119.87 1v61 h LEU 121 Ca -0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1v61 h LEU 121 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1v61 h LEU 121 CO 0.13 -0.00 -0.30 -1.13 0.09 0.00 0.00 178.44 177.22 1v61 h ASN 122 N 0.01 0.96 0.80 -0.43 -0.73 0.29 -0.48 115.58 116.00 1v61 h ASN 122 Ca 0.70 -0.44 -0.24 0.00 1.87 0.00 0.00 56.30 58.19 1v61 h ASN 122 Cb 2.79 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 41.08 1v61 h ASN 122 CO -0.02 1.20 -1.26 0.08 -0.37 0.00 0.00 177.43 177.06 1v61 h ARG 123 N 0.74 0.02 0.00 6.67 0.11 0.37 -2.44 114.38 119.85 1v61 h ARG 123 Ca 0.08 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1v61 h ARG 123 Cb 0.88 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1v61 h ARG 123 CO 0.08 0.85 0.00 1.28 0.10 0.00 0.00 179.97 182.28 1v61 n LEU 124 N -3.26 0.32 0.35 0.08 4.77 0.55 -4.23 117.00 115.57 1v61 n LEU 124 Ca -0.06 0.67 -0.17 0.00 -0.03 0.00 0.00 56.01 56.42 1v61 n LEU 124 Cb 0.98 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 1v61 n LEU 124 CO 0.47 -0.36 0.53 0.71 -1.33 0.00 0.00 177.39 177.41 1v61 h THR 125 N 0.00 0.00 -2.50 -5.08 1.35 -1.27 -3.45 112.91 101.96 1v61 h THR 125 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1v61 h THR 125 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1v61 h THR 125 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1v61 n LYS 126 N -5.12 1.97 -3.63 4.72 5.02 -0.92 -5.00 118.16 115.19 1v61 n LYS 126 Ca -0.12 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.09 1v61 n LYS 126 Cb 0.43 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.37 1v61 n LYS 126 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1v61 s SER 127 N -1.00 -0.34 0.00 4.39 0.15 -1.20 -4.23 113.70 111.47 1v61 s SER 127 Ca 0.00 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1v61 s SER 127 Cb 0.00 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 1v61 s SER 127 CO 0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1v61 n GLY 128 N 1.84 6.15 3.79 9.45 0.00 -1.26 -5.07 105.19 120.09 1v61 n GLY 128 Ca -0.11 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 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 1.58 4.00 0.24 1.61 0.04 -1.26 -5.04 135.00 136.17 1v61 s PRO 129 Ca 0.00 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 1v61 s PRO 129 Cb 0.00 -2.34 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 1v61 s PRO 129 CO 0.00 -0.28 0.64 -1.54 0.04 0.00 0.00 177.00 175.86 1v61 s SER 130 N -1.74 6.80 0.36 6.66 1.04 -1.26 -5.02 113.70 120.53 1v61 s SER 130 Ca 0.62 1.16 -0.28 0.00 0.48 0.00 0.00 55.95 57.93 1v61 s SER 130 Cb -0.20 -2.32 -0.12 0.00 0.10 0.00 0.00 66.02 63.49 1v61 s SER 130 CO 0.24 -0.05 1.38 -1.54 0.98 0.00 0.00 173.24 174.25 1v61 n SER 131 N 0.18 3.22 0.00 7.02 3.41 -1.26 -5.36 113.62 120.83 1v61 n SER 131 Ca -0.00 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 1v61 n SER 131 Cb 0.52 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1v61 n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49