#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 5.99 0.07 1.61 0.15 -1.26 -5.11 113.70 115.15 1v61 s SER 2 Ca 0.00 0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.82 1v61 s SER 2 Cb 0.00 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 1v61 s SER 2 CO 0.00 0.19 0.19 -0.94 1.20 0.00 0.00 173.24 173.88 1v61 s SER 3 N -2.36 6.20 0.00 5.45 1.04 -1.26 -5.09 113.70 117.68 1v61 s SER 3 Ca 0.31 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1v61 s SER 3 Cb -0.13 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1v61 s SER 3 CO 0.24 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.23 1v61 n GLY 4 N 0.24 2.77 1.56 7.32 0.00 -1.26 -5.13 105.19 110.69 1v61 n GLY 4 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1v61 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v61 n SER 5 N 0.00 -8.32 -1.46 1.61 7.64 -1.26 -4.98 113.62 106.84 1v61 n SER 5 Ca 0.00 1.17 0.01 0.00 1.01 0.00 0.00 58.87 61.06 1v61 n SER 5 Cb 0.00 -4.35 -0.01 0.00 -1.01 0.00 0.00 64.21 58.85 1v61 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v61 n SER 6 N -0.23 -7.87 -3.29 6.43 7.64 -1.26 -4.91 113.62 110.13 1v61 n SER 6 Ca 0.00 1.73 -0.25 0.00 1.01 0.00 0.00 58.87 61.35 1v61 n SER 6 Cb 0.00 -4.69 -0.08 0.00 -1.01 0.00 0.00 64.21 58.43 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 -2.69 2.72 0.32 0.23 0.00 -1.26 -4.93 105.19 99.57 1v61 n GLY 7 Ca -0.01 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 1.92 0.42 -0.34 1.61 3.00 -1.26 -4.28 117.38 118.45 1v61 n GLN 8 Ca 0.25 0.17 0.36 0.00 -0.01 0.00 0.00 57.00 57.77 1v61 n GLN 8 Cb 0.50 -1.23 0.65 0.00 0.00 0.00 0.00 30.24 30.16 1v61 n GLN 8 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1v61 h ILE 9 N -0.77 0.12 -2.73 5.09 2.10 -1.92 -3.25 117.51 116.16 1v61 h ILE 9 Ca -0.17 0.00 -0.48 0.00 1.08 0.00 0.00 64.86 65.29 1v61 h ILE 9 Cb 0.99 0.17 -0.14 0.00 -1.09 0.00 0.00 36.82 36.74 1v61 h ILE 9 CO -0.10 0.00 -0.70 -1.48 -1.08 0.00 0.00 178.15 174.79 1v61 s LEU 10 N -7.35 2.50 0.00 2.19 0.05 -1.26 -4.82 118.68 110.00 1v61 s LEU 10 Ca -0.04 -1.12 0.00 0.00 0.05 0.00 0.00 54.13 53.02 1v61 s LEU 10 Cb 0.20 -0.66 0.00 0.00 -2.05 0.00 0.00 46.19 43.68 1v61 s LEU 10 CO 0.67 -0.27 0.00 -1.20 -0.55 0.00 0.00 176.35 175.00 1v61 n SER 11 N -0.51 0.00 -4.81 1.48 7.64 -1.26 -4.84 113.62 111.32 1v61 n SER 11 Ca -0.06 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.49 1v61 n SER 11 Cb 0.62 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.00 3.70 0.29 1.43 2.02 -1.23 -5.02 118.70 119.90 1v61 s GLU 12 Ca 0.00 1.17 -0.29 0.00 0.02 0.00 0.00 54.97 55.88 1v61 s GLU 12 Cb 0.00 -2.09 -0.09 0.00 0.10 0.00 0.00 34.13 32.05 1v61 s GLU 12 CO 0.00 -0.50 1.08 -1.25 0.02 0.00 0.00 175.26 174.61 1v61 s PRO 13 N -3.76 4.60 0.12 0.39 0.04 -1.26 -4.84 135.00 130.28 1v61 s PRO 13 Ca 0.63 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 1v61 s PRO 13 Cb -0.14 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.22 1v61 s PRO 13 CO 0.29 0.20 0.79 0.42 0.04 0.00 0.00 177.00 178.73 1v61 s ILE 14 N -1.23 4.51 0.24 0.56 1.01 -1.26 -4.76 121.20 120.28 1v61 s ILE 14 Ca 0.46 1.71 -0.30 0.00 0.00 0.00 0.00 60.65 62.52 1v61 s ILE 14 Cb -0.30 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 37.93 1v61 s ILE 14 CO 0.38 0.44 1.09 -1.58 0.00 0.00 0.00 174.94 175.28 1v61 s GLN 15 N -0.63 4.64 -1.34 2.79 0.74 -0.08 -2.71 119.66 123.08 1v61 s GLN 15 Ca 0.38 1.75 0.00 0.00 0.05 0.00 0.00 55.36 57.54 1v61 s GLN 15 Cb -0.22 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.66 1v61 s GLN 15 CO 0.25 0.19 0.00 0.00 -0.55 0.00 0.00 175.29 175.19 1v61 n ALA 16 N 1.59 -0.20 -2.71 1.58 0.00 -1.26 0.17 120.51 119.68 1v61 n ALA 16 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1v61 n ALA 16 Cb 0.45 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.48 2.67 0.11 0.00 -0.11 -1.10 -4.61 118.94 113.42 1v61 s TRP 17 Ca 0.00 -0.78 0.09 0.00 1.22 0.00 0.00 56.10 56.64 1v61 s TRP 17 Cb 0.00 -4.50 -0.04 0.00 -1.50 0.00 0.00 33.47 27.44 1v61 s TRP 17 CO 0.00 -1.79 -0.21 -1.83 -4.62 0.00 0.00 176.95 168.50 1v61 s GLU 18 N 4.34 1.71 0.00 5.86 4.04 -1.26 -4.82 118.70 128.57 1v61 s GLU 18 Ca 0.36 -1.20 0.00 0.00 0.04 0.00 0.00 54.97 54.17 1v61 s GLU 18 Cb -0.06 -2.06 0.00 0.00 0.02 0.00 0.00 34.13 32.03 1v61 s GLU 18 CO -0.01 0.48 0.00 0.41 -1.84 0.00 0.00 175.26 174.30 1v61 n GLY 19 N 0.93 2.52 0.00 -3.83 0.00 -1.26 -5.06 105.19 98.49 1v61 n GLY 19 Ca -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1v61 n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1v61 n ASP 20 N 0.00 0.00 -4.76 1.61 -0.08 -1.26 -5.15 116.55 106.90 1v61 n ASP 20 Ca 0.00 -0.71 -0.34 0.00 -1.51 0.00 0.00 54.79 52.24 1v61 n ASP 20 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 1v61 n ASP 20 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1v61 s ASP 21 N -0.12 5.06 0.12 1.67 1.01 -1.26 -4.95 116.67 118.20 1v61 s ASP 21 Ca 0.00 2.08 0.12 0.00 0.71 0.00 0.00 52.55 55.47 1v61 s ASP 21 Cb 0.00 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.25 1v61 s ASP 21 CO 0.00 -1.67 1.12 -0.29 0.21 0.00 0.00 175.17 174.54 1v61 h ILE 22 N 0.16 1.06 0.00 0.77 2.10 -2.00 -3.19 117.51 116.40 1v61 h ILE 22 Ca -0.47 -2.65 0.00 0.00 1.08 0.00 0.00 64.86 62.82 1v61 h ILE 22 Cb 1.26 2.48 0.00 0.00 -1.09 0.00 0.00 36.82 39.46 1v61 h ILE 22 CO 0.54 0.60 0.00 0.11 -1.08 0.00 0.00 178.15 178.32 1v61 h LYS 23 N 0.00 0.00 0.00 2.19 1.79 -1.92 -0.48 116.57 118.14 1v61 h LYS 23 Ca -0.09 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 1v61 h LYS 23 Cb 1.66 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.31 1v61 h LYS 23 CO 0.08 0.00 -0.29 1.79 -1.08 0.00 0.00 179.45 179.96 1v61 h THR 24 N 0.00 0.77 0.00 -0.16 1.35 -1.95 -3.32 112.91 109.61 1v61 h THR 24 Ca 0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1v61 h THR 24 Cb 0.22 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1v61 h THR 24 CO 0.00 0.28 0.00 0.18 -0.25 0.00 0.00 175.52 175.73 1v61 n LEU 25 N -3.57 0.33 0.00 3.87 4.77 -0.20 -5.11 117.00 117.09 1v61 n LEU 25 Ca -0.01 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1v61 n LEU 25 Cb 0.42 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1v61 n LEU 25 CO 0.35 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1v61 n GLY 26 N 2.04 -0.66 0.00 -0.72 0.00 -1.15 -5.05 105.19 99.65 1v61 n GLY 26 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1v61 n GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1v61 n ASN 27 N 0.00 0.95 -4.15 1.61 4.13 -1.26 -4.66 115.26 111.88 1v61 n ASN 27 Ca 0.00 -0.78 -0.36 0.00 1.68 0.00 0.00 54.58 55.12 1v61 n ASN 27 Cb 0.00 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.12 1v61 n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1v61 s VAL 28 N 0.37 3.20 0.00 2.41 1.01 -1.26 -4.02 120.40 122.12 1v61 s VAL 28 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1v61 s VAL 28 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1v61 s VAL 28 CO 0.00 -0.45 0.65 -0.38 0.00 0.00 0.00 175.10 174.92 1v61 n ILE 29 N 4.61 0.00 -4.09 2.22 5.41 0.32 -4.75 119.36 123.08 1v61 n ILE 29 Ca -0.07 1.15 -0.24 0.00 1.00 0.00 0.00 62.75 64.60 1v61 n ILE 29 Cb 0.42 -2.05 -0.17 0.00 -0.71 0.00 0.00 39.64 37.13 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 -1.62 1.09 -0.05 1.39 2.19 -1.26 -5.00 117.98 114.73 1v61 s PHE 30 Ca 0.00 -0.42 0.05 0.00 0.33 0.00 0.00 56.93 56.89 1v61 s PHE 30 Cb 0.00 -0.94 -0.01 0.00 -1.31 0.00 0.00 43.02 40.76 1v61 s PHE 30 CO 0.00 -0.33 -0.22 0.00 1.83 0.00 0.00 175.22 176.50 1v61 s MET 31 N 1.33 2.25 0.13 10.12 0.23 -1.26 -3.52 119.30 128.57 1v61 s MET 31 Ca -0.04 -0.80 -0.24 0.00 -1.03 0.00 0.00 55.69 53.59 1v61 s MET 31 Cb -0.14 -1.93 0.07 0.00 -1.53 0.00 0.00 34.83 31.31 1v61 s MET 31 CO -0.03 0.34 0.66 -1.54 -2.03 0.00 0.00 175.02 172.42 1v61 s SER 32 N -0.10 -0.52 -0.54 -1.18 1.04 -1.26 -5.04 113.70 106.10 1v61 s SER 32 Ca -0.03 -0.02 -0.27 0.00 0.48 0.00 0.00 55.95 56.11 1v61 s SER 32 Cb -0.13 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1v61 s SER 32 CO 0.03 -0.92 1.08 -1.58 0.98 0.00 0.00 173.24 172.83 1v61 s GLN 33 N -3.64 3.49 0.49 4.02 0.74 -1.26 -3.40 119.66 120.11 1v61 s GLN 33 Ca 0.02 0.14 0.08 0.00 0.05 0.00 0.00 55.36 55.65 1v61 s GLN 33 Cb -0.01 -4.00 0.02 0.00 1.10 0.00 0.00 33.01 30.12 1v61 s GLN 33 CO -0.12 -1.52 0.50 0.14 -0.55 0.00 0.00 175.29 173.74 1v61 s VAL 34 N 4.44 2.28 -0.26 1.34 -7.23 0.65 -4.88 120.40 116.74 1v61 s VAL 34 Ca 0.39 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1v61 s VAL 34 Cb -0.09 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.37 1v61 s VAL 34 CO 0.25 0.00 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.34 1v61 s VAL 35 N -2.59 1.44 -0.12 1.32 1.01 -1.26 0.94 120.40 121.15 1v61 s VAL 35 Ca 0.48 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1v61 s VAL 35 Cb -0.04 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1v61 s VAL 35 CO 0.29 -0.29 -0.11 -0.32 0.00 0.00 0.00 175.10 174.67 1v61 s MET 36 N 1.40 1.83 0.07 2.72 -2.45 0.12 -1.29 119.30 121.71 1v61 s MET 36 Ca -0.00 -0.39 0.06 0.00 -1.25 0.00 0.00 55.69 54.11 1v61 s MET 36 Cb -0.18 -1.74 -0.03 0.00 1.25 0.00 0.00 34.83 34.12 1v61 s MET 36 CO -0.10 -0.21 -0.16 -1.14 1.05 0.00 0.00 175.02 174.46 1v61 s GLN 37 N 1.46 0.94 0.00 4.11 -0.44 -1.26 -4.40 119.66 120.07 1v61 s GLN 37 Ca 0.02 -0.99 0.00 0.00 -2.50 0.00 0.00 55.36 51.89 1v61 s GLN 37 Cb -0.13 -1.03 0.00 0.00 -1.64 0.00 0.00 33.01 30.21 1v61 s GLN 37 CO -0.07 0.24 0.07 1.58 0.50 0.00 0.00 175.29 177.61 1v61 n HIS 38 N 1.33 0.00 -3.02 1.67 -0.00 -1.26 -4.59 115.22 109.35 1v61 n HIS 38 Ca -0.20 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.53 1v61 n HIS 38 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.53 1v61 n HIS 38 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1v61 s GLY 39 N 0.00 -1.37 0.04 1.57 0.00 -1.26 -4.91 107.32 101.38 1v61 s GLY 39 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1v61 s GLY 39 CO 0.00 3.95 0.00 0.00 0.00 0.00 0.00 173.10 177.05 1v61 n ALA 40 N 4.19 -2.83 -3.00 3.20 0.00 -1.26 -5.12 120.51 115.69 1v61 n ALA 40 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1v61 n ALA 40 Cb 0.60 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1v61 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v61 n GLU 42 N 0.00 0.00 -2.96 0.00 1.02 -1.26 -4.97 120.64 112.47 1v61 n GLU 42 Ca 0.00 0.12 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 1v61 n GLU 42 Cb 0.00 -0.88 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 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 -0.50 0.23 -0.95 3.49 1.02 -1.26 -5.14 120.64 117.53 1v61 n GLU 43 Ca 0.00 -1.50 -0.35 0.00 -0.02 0.00 0.00 57.16 55.29 1v61 n GLU 43 Cb 0.00 1.28 0.07 0.00 -0.02 0.00 0.00 31.44 32.77 1v61 n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1v61 n LYS 44 N -0.29 -0.08 -3.86 3.49 5.02 -1.26 -4.93 118.16 116.25 1v61 n LYS 44 Ca 0.03 -0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 1v61 n LYS 44 Cb 0.28 -1.31 -0.12 0.00 -0.02 0.00 0.00 35.03 33.86 1v61 n LYS 44 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1v61 s GLU 45 N -2.52 2.29 0.14 1.97 2.02 -1.26 -5.01 118.70 116.32 1v61 s GLU 45 Ca 0.47 -3.18 -0.31 0.00 0.02 0.00 0.00 54.97 51.96 1v61 s GLU 45 Cb -0.21 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.69 1v61 s GLU 45 CO 0.76 -1.28 1.47 -1.21 0.02 0.00 0.00 175.26 175.02 1v61 s GLU 46 N -1.23 4.27 0.35 1.61 8.01 -1.26 0.14 118.70 130.58 1v61 s GLU 46 Ca 0.25 2.21 -0.04 0.00 0.01 0.00 0.00 54.97 57.39 1v61 s GLU 46 Cb -0.05 -3.20 0.01 0.00 -4.31 0.00 0.00 34.13 26.57 1v61 s GLU 46 CO -0.16 -0.51 0.51 1.03 0.01 0.00 0.00 175.26 176.14 1v61 s ARG 47 N 1.10 1.94 -0.10 1.61 0.52 0.27 -4.86 118.95 119.42 1v61 s ARG 47 Ca 0.67 -1.71 0.03 0.00 -0.52 0.00 0.00 55.73 54.20 1v61 s ARG 47 Cb -0.40 0.46 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1v61 s ARG 47 CO 0.31 -0.81 -0.22 -0.47 0.02 0.00 0.00 175.30 174.12 1v61 s TYR 48 N -3.01 2.44 -0.25 -0.53 5.04 -0.73 -0.25 117.35 120.06 1v61 s TYR 48 Ca 0.29 -1.04 -0.00 0.00 -2.44 0.00 0.00 57.07 53.88 1v61 s TYR 48 Cb -0.01 -1.65 0.03 0.00 0.35 0.00 0.00 41.96 40.69 1v61 s TYR 48 CO 0.19 -0.44 -0.08 -0.06 -1.34 0.00 0.00 175.55 173.83 1v61 s PHE 49 N 0.48 3.10 -0.37 4.97 0.40 -1.22 -0.80 117.98 124.54 1v61 s PHE 49 Ca -0.16 -1.75 -0.11 0.00 -0.60 0.00 0.00 56.93 54.30 1v61 s PHE 49 Cb -0.17 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.35 1v61 s PHE 49 CO 0.06 -0.78 0.21 -0.51 0.70 0.00 0.00 175.22 174.91 1v61 s LEU 50 N 1.27 4.67 -0.41 -0.37 1.43 0.19 -3.99 118.68 121.47 1v61 s LEU 50 Ca -0.02 -0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 51.98 1v61 s LEU 50 Cb -0.17 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1v61 s LEU 50 CO -0.05 -0.36 0.75 -0.22 0.23 0.00 0.00 176.35 176.70 1v61 s LEU 51 N 1.59 4.24 0.00 1.79 2.96 -1.23 -1.04 118.68 126.99 1v61 s LEU 51 Ca 0.03 0.04 0.23 0.00 -0.22 0.00 0.00 54.13 54.20 1v61 s LEU 51 Cb -0.19 -2.93 0.60 0.00 0.50 0.00 0.00 46.19 44.17 1v61 s LEU 51 CO 0.07 -0.80 1.48 0.49 -1.32 0.00 0.00 176.35 176.27 1v61 n PHE 52 N 6.49 0.27 -2.59 5.38 3.01 -0.89 0.12 117.46 129.25 1v61 n PHE 52 Ca 0.02 -0.13 -0.06 0.00 1.01 0.00 0.00 57.45 58.28 1v61 n PHE 52 Cb 0.48 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.97 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 0.83 -2.86 0.00 4.37 3.41 -1.26 -4.53 113.62 113.58 1v61 n SER 53 Ca 0.17 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1v61 n SER 53 Cb 0.46 -1.63 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 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 0.54 0.00 -3.90 4.04 2.88 -1.26 -4.99 113.62 110.93 1v61 n SER 54 Ca -0.02 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.42 1v61 n SER 54 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 0.08 -0.65 2.46 0.11 -1.26 0.20 120.40 121.34 1v61 s VAL 55 Ca 0.00 -0.65 -0.10 0.00 -2.93 0.00 0.00 61.98 58.30 1v61 s VAL 55 Cb 0.00 -0.33 0.17 0.00 -1.53 0.00 0.00 36.38 34.69 1v61 s VAL 55 CO 0.00 -0.36 0.55 -0.22 -3.33 0.00 0.00 175.10 171.74 1v61 s LEU 56 N -1.17 6.06 -0.06 2.54 1.98 0.47 -2.11 118.68 126.40 1v61 s LEU 56 Ca -0.13 -2.42 -0.30 0.00 -2.89 0.00 0.00 54.13 48.39 1v61 s LEU 56 Cb -0.07 -2.07 -0.03 0.00 0.66 0.00 0.00 46.19 44.67 1v61 s LEU 56 CO 0.00 -0.59 1.13 -0.63 -1.89 0.00 0.00 176.35 174.37 1v61 s ILE 57 N 0.59 4.44 -0.13 6.68 -1.09 -0.21 -2.56 121.20 128.92 1v61 s ILE 57 Ca 0.13 1.75 -0.02 0.00 -2.23 0.00 0.00 60.65 60.27 1v61 s ILE 57 Cb -0.19 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1v61 s ILE 57 CO -0.04 0.02 -0.06 -0.04 -1.23 0.00 0.00 174.94 173.60 1v61 s MET 58 N 1.96 3.46 0.25 2.79 -1.94 -1.14 0.56 119.30 125.24 1v61 s MET 58 Ca 0.54 -0.55 0.09 0.00 -1.71 0.00 0.00 55.69 54.06 1v61 s MET 58 Cb -0.23 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.75 1v61 s MET 58 CO 0.22 0.32 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.89 1v61 s LEU 59 N 0.12 2.57 -0.03 -0.03 1.02 0.02 -2.62 118.68 119.74 1v61 s LEU 59 Ca -0.02 -1.05 0.01 0.00 0.02 0.00 0.00 54.13 53.08 1v61 s LEU 59 Cb -0.14 -0.85 0.02 0.00 0.02 0.00 0.00 46.19 45.24 1v61 s LEU 59 CO 0.03 -0.11 -0.01 -0.44 0.02 0.00 0.00 176.35 175.85 1v61 s SER 60 N -3.42 0.43 0.11 2.29 0.01 0.53 -1.77 113.70 111.88 1v61 s SER 60 Ca 0.27 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1v61 s SER 60 Cb -0.02 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.00 1v61 s SER 60 CO 0.11 -0.08 0.01 0.00 0.41 0.00 0.00 173.24 173.68 1v61 n ALA 61 N 4.00 0.10 0.00 1.44 0.00 -1.26 -2.22 120.51 122.57 1v61 n ALA 61 Ca -0.26 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1v61 n ALA 61 Cb 0.51 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1v61 n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1v61 n SER 62 N -1.24 0.00 -3.53 0.00 2.88 -1.26 -5.08 113.62 105.40 1v61 n SER 62 Ca -0.04 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.24 1v61 n SER 62 Cb 0.14 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.80 1v61 n SER 62 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1v61 n PRO 63 N 0.00 -1.99 -3.44 -1.46 -0.04 -1.26 -5.04 135.00 121.77 1v61 n PRO 63 Ca 0.00 -1.65 -0.26 0.00 -0.04 0.00 0.00 63.50 61.55 1v61 n PRO 63 Cb 0.00 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 1v61 n PRO 63 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1v61 n ARG 64 N -3.91 1.17 0.00 0.54 1.85 -1.26 -4.76 116.66 110.28 1v61 n ARG 64 Ca 0.14 -3.76 0.00 0.00 -1.00 0.00 0.00 57.85 53.22 1v61 n ARG 64 Cb 0.50 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 1v61 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1v61 n MET 65 N 1.81 0.00 -1.53 2.89 0.00 -1.26 -5.15 117.12 113.88 1v61 n MET 65 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.69 1v61 n MET 65 Cb 0.45 0.00 0.19 0.00 0.00 0.00 0.00 33.22 33.86 1v61 n MET 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1v61 n SER 66 N 0.00 -0.30 0.00 3.17 7.64 -1.26 -5.10 113.62 117.77 1v61 n SER 66 Ca 0.00 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1v61 n SER 66 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 -2.89 0.66 3.20 0.23 0.00 -1.26 -5.02 105.19 100.11 1v61 n GLY 67 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 1.96 1.19 -0.13 1.61 0.08 -1.26 -4.87 117.98 116.56 1v61 s PHE 68 Ca 0.00 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.43 1v61 s PHE 68 Cb 0.00 -0.64 -0.01 0.00 -0.57 0.00 0.00 43.02 41.81 1v61 s PHE 68 CO 0.00 0.06 -0.16 1.41 -0.10 0.00 0.00 175.22 176.43 1v61 s MET 69 N -2.80 3.29 0.16 0.44 -2.45 -0.94 -0.90 119.30 116.10 1v61 s MET 69 Ca 0.07 -0.73 -0.20 0.00 -1.25 0.00 0.00 55.69 53.58 1v61 s MET 69 Cb -0.03 -2.57 -0.08 0.00 1.25 0.00 0.00 34.83 33.40 1v61 s MET 69 CO 0.01 0.17 0.66 -0.47 1.05 0.00 0.00 175.02 176.44 1v61 s TYR 70 N 0.44 3.72 0.00 4.11 6.14 0.46 -0.35 117.35 131.88 1v61 s TYR 70 Ca -0.11 1.34 0.00 0.00 0.64 0.00 0.00 57.07 58.94 1v61 s TYR 70 Cb -0.16 -2.57 0.00 0.00 0.42 0.00 0.00 41.96 39.65 1v61 s TYR 70 CO 0.05 0.45 0.00 1.04 0.64 0.00 0.00 175.55 177.73 1v61 n GLN 71 N 1.13 0.00 -4.31 4.97 1.13 -1.08 -4.64 117.38 114.59 1v61 n GLN 71 Ca -0.05 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.80 1v61 n GLN 71 Cb 0.51 -0.09 -0.08 0.00 0.11 0.00 0.00 30.24 30.69 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 -2.74 2.39 -0.09 1.08 0.00 -1.26 -5.06 107.32 101.63 1v61 s GLY 72 Ca 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 44.72 42.70 1v61 s GLY 72 CO 0.00 -1.52 0.21 -1.59 0.00 0.00 0.00 173.10 170.20 1v61 s LYS 73 N -3.47 0.20 -0.17 2.90 -2.85 -1.26 -2.87 119.74 112.22 1v61 s LYS 73 Ca 0.38 0.40 -0.01 0.00 -1.00 0.00 0.00 55.97 55.74 1v61 s LYS 73 Cb 0.02 -0.02 -0.00 0.00 -2.06 0.00 0.00 37.83 35.77 1v61 s LYS 73 CO 0.26 -0.10 -0.13 0.42 0.10 0.00 0.00 175.35 175.90 1v61 s ILE 74 N 0.73 2.82 -0.01 3.79 1.01 -1.06 -4.88 121.20 123.60 1v61 s ILE 74 Ca -0.05 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 1v61 s ILE 74 Cb -0.07 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1v61 s ILE 74 CO -0.04 0.50 1.20 -2.16 0.00 0.00 0.00 174.94 174.44 1v61 s PRO 75 N 0.98 4.38 0.56 2.79 0.04 -1.26 0.18 135.00 142.68 1v61 s PRO 75 Ca -0.02 1.71 0.36 0.00 0.04 0.00 0.00 61.00 63.10 1v61 s PRO 75 Cb -0.15 -3.48 1.48 0.00 0.04 0.00 0.00 34.50 32.39 1v61 s PRO 75 CO -0.02 -0.37 1.70 0.82 0.04 0.00 0.00 177.00 179.16 1v61 h ILE 76 N 4.83 0.26 0.00 0.56 1.08 0.19 0.27 117.51 124.70 1v61 h ILE 76 Ca -0.37 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1v61 h ILE 76 Cb 1.18 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1v61 h ILE 76 CO 0.85 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.31 1v61 n ALA 77 N -2.65 -0.34 0.29 1.87 0.00 -1.26 -2.45 120.51 115.97 1v61 n ALA 77 Ca 0.26 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.89 1v61 n ALA 77 Cb 1.34 0.04 0.97 0.00 0.00 0.00 0.00 19.45 21.80 1v61 n ALA 77 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1v61 h GLY 78 N 0.00 0.00 -4.23 0.00 0.00 -1.56 -3.43 103.07 93.84 1v61 h GLY 78 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1v61 h GLY 78 CO 0.00 0.00 0.69 -0.13 0.00 0.00 0.00 176.54 177.10 1v61 n MET 79 N -2.82 2.40 -3.81 4.80 0.00 0.84 -3.90 117.12 114.63 1v61 n MET 79 Ca -0.02 0.85 -0.27 0.00 0.00 0.00 0.00 57.70 58.26 1v61 n MET 79 Cb 0.09 -2.53 -0.17 0.00 0.00 0.00 0.00 33.22 30.61 1v61 n MET 79 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1v61 s VAL 80 N -0.65 0.75 0.06 1.12 1.01 -1.11 -4.88 120.40 116.70 1v61 s VAL 80 Ca 0.59 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.21 1v61 s VAL 80 Cb -0.54 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1v61 s VAL 80 CO 0.57 0.06 -0.14 -0.69 0.00 0.00 0.00 175.10 174.90 1v61 s VAL 81 N 1.79 3.13 -0.15 2.92 1.01 -1.26 -3.43 120.40 124.41 1v61 s VAL 81 Ca 0.01 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 60.89 1v61 s VAL 81 Cb -0.15 -2.38 0.18 0.00 0.00 0.00 0.00 36.38 34.02 1v61 s VAL 81 CO -0.07 0.26 0.95 0.59 0.00 0.00 0.00 175.10 176.83 1v61 n ASN 82 N 1.24 -0.67 -2.90 3.32 3.02 -1.26 -4.82 115.26 113.18 1v61 n ASN 82 Ca -0.15 -1.52 -0.08 0.00 -0.03 0.00 0.00 54.58 52.80 1v61 n ASN 82 Cb 0.52 0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 1v61 n ASN 82 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1v61 n ARG 83 N -0.67 -0.98 -3.94 3.52 1.85 -1.26 0.28 116.66 115.46 1v61 n ARG 83 Ca -0.09 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.37 1v61 n ARG 83 Cb 0.66 -0.95 0.03 0.00 -1.05 0.00 0.00 32.46 31.15 1v61 n ARG 83 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1v61 n LEU 84 N -1.87 -1.15 0.00 2.89 7.99 -1.15 -4.58 117.00 119.12 1v61 n LEU 84 Ca -0.07 -1.20 0.00 0.00 -0.01 0.00 0.00 56.01 54.72 1v61 n LEU 84 Cb 0.17 -1.89 0.00 0.00 -0.11 0.00 0.00 43.42 41.59 1v61 n LEU 84 CO 0.22 0.69 0.00 -0.90 -1.51 0.00 0.00 177.39 175.90 1v61 n ASP 85 N -2.34 0.00 0.00 -1.43 5.68 0.80 -4.90 116.55 114.35 1v61 n ASP 85 Ca -0.11 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.27 1v61 n ASP 85 Cb 0.57 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.95 1v61 n ASP 85 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1v61 n GLU 86 N -0.61 0.00 0.00 0.11 1.02 -1.26 -4.66 120.64 115.24 1v61 n GLU 86 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1v61 n GLU 86 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.50 0.00 -2.94 -3.67 5.41 -1.26 -4.93 119.36 110.47 1v61 n ILE 87 Ca 0.05 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.66 1v61 n ILE 87 Cb 0.22 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.16 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 0.00 1.04 0.00 0.38 0.28 -1.26 -4.95 120.64 116.13 1v61 n GLU 88 Ca 0.00 -3.03 0.00 0.00 -0.16 0.00 0.00 57.16 53.97 1v61 n GLU 88 Cb 0.00 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.51 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 0.13 0.44 5.05 -1.84 0.00 -1.26 -5.05 105.19 102.66 1v61 n GLY 89 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -4.87 1.61 2.88 -1.26 -4.65 113.62 107.33 1v61 n SER 90 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1v61 n SER 90 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1v61 n SER 90 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1v61 s ASP 91 N -0.64 4.59 -0.69 -3.46 1.11 -1.26 -5.08 116.67 111.22 1v61 s ASP 91 Ca 0.00 -1.24 -0.01 0.00 0.18 0.00 0.00 52.55 51.48 1v61 s ASP 91 Cb 0.00 0.26 0.18 0.00 1.07 0.00 0.00 42.92 44.43 1v61 s ASP 91 CO 0.00 -0.99 0.52 0.00 1.18 0.00 0.00 175.17 175.88 1v61 n MET 93 N 3.03 0.00 -4.03 0.00 0.00 -1.26 -4.55 117.12 110.31 1v61 n MET 93 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.72 1v61 n MET 93 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.52 1v61 n MET 93 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1v61 s PHE 94 N -2.00 0.53 0.15 3.17 -0.71 -1.26 -2.93 117.98 114.93 1v61 s PHE 94 Ca 0.00 -0.86 0.08 0.00 -1.04 0.00 0.00 56.93 55.11 1v61 s PHE 94 Cb 0.00 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1v61 s PHE 94 CO 0.00 -0.87 -0.18 -1.83 -1.34 0.00 0.00 175.22 171.00 1v61 s GLU 95 N -4.04 1.21 -0.46 1.99 -1.05 -1.26 -2.86 118.70 112.24 1v61 s GLU 95 Ca 0.25 -1.34 0.03 0.00 -0.15 0.00 0.00 54.97 53.76 1v61 s GLU 95 Cb 0.02 -1.28 0.13 0.00 -0.44 0.00 0.00 34.13 32.56 1v61 s GLU 95 CO 0.08 0.27 0.23 0.42 0.95 0.00 0.00 175.26 177.20 1v61 s ILE 96 N -1.89 1.86 0.50 1.83 1.01 0.20 -4.18 121.20 120.54 1v61 s ILE 96 Ca 0.13 -2.76 0.07 0.00 0.00 0.00 0.00 60.65 58.09 1v61 s ILE 96 Cb -0.06 -2.31 0.09 0.00 0.01 0.00 0.00 42.46 40.18 1v61 s ILE 96 CO 0.06 -0.83 0.70 0.35 0.00 0.00 0.00 174.94 175.21 1v61 n THR 97 N 3.50 0.00 0.00 2.92 -2.24 -1.22 -3.04 114.28 114.19 1v61 n THR 97 Ca 0.06 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 1v61 n THR 97 Cb 0.34 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.04 -1.74 1.64 3.38 0.00 -1.25 -2.73 105.19 103.45 1v61 n GLY 98 Ca 0.14 0.48 0.01 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.55 0.63 -1.77 1.61 2.88 -1.26 -4.84 113.62 109.32 1v61 n SER 99 Ca 0.00 -2.01 -0.05 0.00 -1.33 0.00 0.00 58.87 55.47 1v61 n SER 99 Cb 0.00 -0.18 -0.02 0.00 -0.75 0.00 0.00 64.21 63.26 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 0.18 0.00 -0.02 2.46 -2.24 -1.26 -5.07 114.28 108.32 1v61 n THR 100 Ca -0.01 -0.61 -0.02 0.00 -2.27 0.00 0.00 64.05 61.14 1v61 n THR 100 Cb 1.01 0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 1v61 n THR 100 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1v61 n VAL 101 N -0.19 0.30 -0.32 2.28 0.24 -1.26 -4.66 118.33 114.73 1v61 n VAL 101 Ca 0.01 -0.20 0.14 0.00 -2.04 0.00 0.00 64.34 62.25 1v61 n VAL 101 Cb 0.15 -0.78 0.28 0.00 -1.47 0.00 0.00 33.84 32.02 1v61 n VAL 101 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1v61 n GLU 102 N -2.14 -0.07 -1.70 7.34 0.00 -1.26 -4.89 120.64 117.91 1v61 n GLU 102 Ca -0.07 1.38 0.00 0.00 0.00 0.00 0.00 57.16 58.47 1v61 n GLU 102 Cb 0.62 -2.20 0.00 0.00 0.00 0.00 0.00 31.44 29.85 1v61 n GLU 102 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1v61 n ARG 103 N -5.35 -4.83 -3.40 5.31 0.63 -1.26 -4.84 116.66 102.90 1v61 n ARG 103 Ca 0.22 3.55 -0.44 0.00 -0.92 0.00 0.00 57.85 60.26 1v61 n ARG 103 Cb 0.73 -3.95 -0.09 0.00 0.45 0.00 0.00 32.46 29.60 1v61 n ARG 103 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1v61 s ILE 104 N -2.75 5.21 -0.64 5.15 1.01 -1.17 -4.82 121.20 123.19 1v61 s ILE 104 Ca 0.00 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 1v61 s ILE 104 Cb 0.00 -4.04 0.12 0.00 0.01 0.00 0.00 42.46 38.55 1v61 s ILE 104 CO 0.00 -0.45 0.76 -0.69 0.00 0.00 0.00 174.94 174.55 1v61 s VAL 105 N 1.76 4.87 -0.45 2.92 1.01 -1.26 -0.63 120.40 128.61 1v61 s VAL 105 Ca 0.06 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 1v61 s VAL 105 Cb -0.21 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.68 1v61 s VAL 105 CO 0.09 -1.16 0.92 -0.69 0.00 0.00 0.00 175.10 174.26 1v61 s VAL 106 N 2.51 4.49 0.01 2.92 1.01 -1.13 -3.70 120.40 126.51 1v61 s VAL 106 Ca 0.14 0.76 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 1v61 s VAL 106 Cb -0.21 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 1v61 s VAL 106 CO 0.04 -0.81 1.36 -1.00 0.00 0.00 0.00 175.10 174.69 1v61 s HIS 107 N 3.72 2.99 0.92 5.22 3.76 -0.41 -4.17 115.29 127.32 1v61 s HIS 107 Ca 0.37 0.92 -0.14 0.00 -0.15 0.00 0.00 55.06 56.06 1v61 s HIS 107 Cb -0.10 -3.62 -0.00 0.00 1.11 0.00 0.00 32.58 29.97 1v61 s HIS 107 CO 0.26 -2.21 0.25 0.00 -0.85 0.00 0.00 174.74 172.19 1v61 n ASN 109 N -0.46 0.78 -3.69 0.00 2.85 -1.26 -4.91 115.26 108.57 1v61 n ASN 109 Ca 0.06 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.39 1v61 n ASN 109 Cb 0.53 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.46 1v61 n ASN 109 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1v61 s ASN 110 N -4.39 -0.52 0.00 1.20 0.01 -1.26 -5.03 114.94 104.95 1v61 s ASN 110 Ca 0.00 0.95 0.00 0.00 -0.71 0.00 0.00 52.86 53.10 1v61 s ASN 110 Cb 0.00 0.97 0.00 0.00 0.41 0.00 0.00 41.25 42.63 1v61 s ASN 110 CO 0.00 -0.23 0.93 -3.20 -1.51 0.00 0.00 177.10 173.09 1v61 n ASN 111 N 2.57 0.00 -0.06 -1.22 2.85 -1.26 0.17 115.26 118.31 1v61 n ASN 111 Ca -0.14 0.93 -0.02 0.00 -0.11 0.00 0.00 54.58 55.24 1v61 n ASN 111 Cb 0.56 -0.43 -0.01 0.00 1.24 0.00 0.00 39.78 41.14 1v61 n ASN 111 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1v61 n GLN 112 N -2.30 -0.06 -0.02 1.20 10.64 -1.26 0.12 117.38 125.70 1v61 n GLN 112 Ca 0.00 0.89 -0.09 0.00 -1.83 0.00 0.00 57.00 55.97 1v61 n GLN 112 Cb 0.00 -1.33 -0.06 0.00 -0.86 0.00 0.00 30.24 27.99 1v61 n GLN 112 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1v61 h ASP 113 N 0.00 -1.04 -0.64 2.61 5.19 -1.94 -1.29 116.42 119.31 1v61 h ASP 113 Ca 0.02 0.12 0.06 0.00 -0.62 0.00 0.00 57.03 56.61 1v61 h ASP 113 Cb 0.06 0.41 -0.08 0.00 0.18 0.00 0.00 39.33 39.90 1v61 h ASP 113 CO -0.13 -0.28 -0.39 0.15 -3.12 0.00 0.00 179.24 175.47 1v61 h PHE 114 N -0.33 -1.24 -0.97 4.55 3.57 0.33 0.18 116.94 123.03 1v61 h PHE 114 Ca 0.02 0.08 0.15 0.00 3.53 0.00 0.00 57.97 61.76 1v61 h PHE 114 Cb 0.40 0.62 -0.16 0.00 2.79 0.00 0.00 35.95 39.60 1v61 h PHE 114 CO -0.55 -0.25 -0.37 0.37 -2.23 0.00 0.00 178.31 175.29 1v61 h GLN 115 N -0.01 -0.01 -0.08 1.11 -0.00 0.13 0.13 115.11 116.38 1v61 h GLN 115 Ca 0.10 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.78 1v61 h GLN 115 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.70 1v61 h GLN 115 CO -0.61 -0.01 -0.51 1.49 0.00 0.00 0.00 178.83 179.19 1v61 h GLU 116 N -0.01 -0.56 -0.77 1.69 4.57 0.49 1.07 114.58 121.05 1v61 h GLU 116 Ca 0.35 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.71 1v61 h GLU 116 Cb 0.61 0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 29.18 1v61 h GLU 116 CO -0.97 -0.37 -0.28 -1.49 -1.18 0.00 0.00 179.01 174.72 1v61 h TRP 117 N -0.58 -0.71 -0.64 0.92 4.06 0.29 0.68 115.95 119.96 1v61 h TRP 117 Ca 0.02 0.08 0.01 0.00 2.06 0.00 0.00 58.89 61.06 1v61 h TRP 117 Cb 0.66 0.43 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 1v61 h TRP 117 CO -0.56 -0.37 0.42 0.52 -3.56 0.00 0.00 178.44 174.89 1v61 h MET 118 N -0.06 0.81 0.07 0.49 2.86 0.55 0.14 114.93 119.80 1v61 h MET 118 Ca 0.33 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1v61 h MET 118 Cb 0.58 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1v61 h MET 118 CO -0.81 0.54 -0.09 1.49 1.06 0.00 0.00 176.91 179.10 1v61 h GLU 119 N 0.84 -0.16 0.01 1.72 4.22 0.69 0.61 114.58 122.51 1v61 h GLU 119 Ca 0.24 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.72 1v61 h GLU 119 Cb -0.06 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1v61 h GLU 119 CO -0.07 -0.11 -0.40 -0.56 -2.18 0.00 0.00 179.01 175.69 1v61 h GLN 120 N -0.17 -0.54 -0.64 1.92 3.07 -0.81 -1.85 115.11 116.09 1v61 h GLN 120 Ca -0.01 0.04 0.11 0.00 0.09 0.00 0.00 58.65 58.88 1v61 h GLN 120 Cb 0.15 0.12 -0.12 0.00 0.08 0.00 0.00 27.48 27.71 1v61 h GLN 120 CO -0.02 -0.36 -0.32 -0.07 0.09 0.00 0.00 178.83 178.15 1v61 h LEU 121 N -0.56 -1.11 -1.92 0.06 3.38 -0.66 1.56 115.31 116.06 1v61 h LEU 121 Ca 0.05 0.23 0.53 0.00 0.09 0.00 0.00 57.88 58.78 1v61 h LEU 121 Cb 0.64 0.57 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1v61 h LEU 121 CO -0.30 -0.29 1.35 0.78 0.09 0.00 0.00 178.44 180.06 1v61 h ASN 122 N -0.13 0.00 0.00 -0.43 2.35 0.11 0.63 115.58 118.12 1v61 h ASN 122 Ca 0.26 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1v61 h ASN 122 Cb 0.55 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1v61 h ASN 122 CO -0.71 0.00 -0.91 -1.14 -1.65 0.00 0.00 177.43 173.01 1v61 n ARG 123 N -3.90 0.51 -0.30 0.81 0.63 0.47 -2.86 116.66 112.03 1v61 n ARG 123 Ca 0.41 0.32 -0.07 0.00 -0.92 0.00 0.00 57.85 57.59 1v61 n ARG 123 Cb 1.90 -1.52 -0.03 0.00 0.45 0.00 0.00 32.46 33.26 1v61 n ARG 123 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1v61 h LEU 124 N -1.00 -1.63 -0.36 6.15 3.38 0.18 0.14 115.31 122.16 1v61 h LEU 124 Ca -0.04 0.28 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1v61 h LEU 124 Cb 0.88 0.76 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1v61 h LEU 124 CO -0.02 -0.30 -0.12 0.71 0.09 0.00 0.00 178.44 178.80 1v61 h THR 125 N -0.12 1.28 -5.80 0.22 1.35 -0.01 -3.44 112.91 106.38 1v61 h THR 125 Ca 0.22 -1.21 -0.35 0.00 -0.55 0.00 0.00 66.41 64.52 1v61 h THR 125 Cb 0.54 1.31 0.13 0.00 -1.73 0.00 0.00 68.15 68.40 1v61 h THR 125 CO -0.82 0.40 -0.83 0.29 -0.25 0.00 0.00 175.52 174.31 1v61 n LYS 126 N -4.35 -4.40 -4.42 4.72 4.76 0.49 -4.94 118.16 110.03 1v61 n LYS 126 Ca -0.02 0.74 -0.27 0.00 -2.87 0.00 0.00 58.31 55.89 1v61 n LYS 126 Cb 0.37 -5.46 -0.13 0.00 -1.84 0.00 0.00 35.03 27.97 1v61 n LYS 126 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1v61 s SER 127 N -4.02 2.91 0.00 4.39 0.15 -1.26 -5.05 113.70 110.81 1v61 s SER 127 Ca 0.17 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1v61 s SER 127 Cb -0.03 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1v61 s SER 127 CO 0.77 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.96 1v61 n GLY 128 N 1.15 3.35 3.58 9.45 0.00 -1.26 -5.00 105.19 116.46 1v61 n GLY 128 Ca -0.18 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.79 3.34 -0.16 1.61 0.04 -1.26 -4.99 135.00 130.80 1v61 s PRO 129 Ca 0.00 0.66 -0.14 0.00 0.04 0.00 0.00 61.00 61.56 1v61 s PRO 129 Cb 0.00 -4.12 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 1v61 s PRO 129 CO 0.00 -1.87 0.30 0.45 0.04 0.00 0.00 177.00 175.92 1v61 s SER 130 N 4.61 6.45 -0.89 6.66 0.15 -1.26 -4.96 113.70 124.46 1v61 s SER 130 Ca 0.58 0.53 -0.30 0.00 0.70 0.00 0.00 55.95 57.46 1v61 s SER 130 Cb -0.12 -2.19 -0.19 0.00 -1.71 0.00 0.00 66.02 61.81 1v61 s SER 130 CO 0.28 0.10 2.63 -0.24 1.20 0.00 0.00 173.24 177.21 1v61 n SER 131 N 3.52 0.72 0.00 5.45 2.88 -1.26 -5.29 113.62 119.63 1v61 n SER 131 Ca -0.12 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1v61 n SER 131 Cb 0.52 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1v61 n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42