#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 -2.60 -3.98 1.61 2.88 -1.26 -5.16 113.62 105.11 1v61 n SER 2 Ca 0.00 0.69 -0.09 0.00 -1.33 0.00 0.00 58.87 58.14 1v61 n SER 2 Cb 0.00 2.58 -0.08 0.00 -0.75 0.00 0.00 64.21 65.97 1v61 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v61 s SER 3 N -2.00 0.14 0.45 -3.46 1.04 -1.26 -5.17 113.70 103.44 1v61 s SER 3 Ca 0.00 -0.90 0.05 0.00 0.48 0.00 0.00 55.95 55.58 1v61 s SER 3 Cb 0.00 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1v61 s SER 3 CO 0.00 -0.81 0.63 -0.83 0.98 0.00 0.00 173.24 173.21 1v61 s GLY 4 N -2.96 1.84 -0.16 7.32 0.00 -1.26 -5.13 107.32 106.97 1v61 s GLY 4 Ca 0.15 -1.50 -0.29 0.00 0.00 0.00 0.00 44.72 43.08 1v61 s GLY 4 CO -0.03 -1.30 0.93 -0.56 0.00 0.00 0.00 173.10 172.14 1v61 s SER 5 N -4.34 -0.46 0.70 1.64 0.01 -1.26 -5.15 113.70 104.84 1v61 s SER 5 Ca 0.54 0.59 -0.17 0.00 1.31 0.00 0.00 55.95 58.22 1v61 s SER 5 Cb -0.10 0.49 -0.09 0.00 0.21 0.00 0.00 66.02 66.54 1v61 s SER 5 CO 0.35 -0.36 0.15 -1.54 0.41 0.00 0.00 173.24 172.24 1v61 n SER 6 N 1.09 -2.61 -3.12 2.44 3.41 -1.26 -4.97 113.62 108.60 1v61 n SER 6 Ca -0.13 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1v61 n SER 6 Cb 0.57 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1v61 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v61 n GLY 7 N 2.17 -1.93 5.00 5.00 0.00 -1.26 -4.24 105.19 109.92 1v61 n GLY 7 Ca 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.40 0.00 -0.32 1.61 3.00 -1.26 -4.31 117.38 115.70 1v61 n GLN 8 Ca 0.00 0.00 0.35 0.00 -0.01 0.00 0.00 57.00 57.34 1v61 n GLN 8 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 30.24 30.90 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 0.00 0.14 -1.73 5.09 2.10 -1.82 0.80 117.51 122.09 1v61 h ILE 9 Ca 0.00 0.00 -0.55 0.00 1.08 0.00 0.00 64.86 65.39 1v61 h ILE 9 Cb 0.00 0.19 -0.42 0.00 -1.09 0.00 0.00 36.82 35.50 1v61 h ILE 9 CO 0.00 0.00 -0.82 0.00 -1.08 0.00 0.00 178.15 176.25 1v61 n LEU 10 N -3.69 3.77 0.00 2.19 -0.00 -1.26 -4.72 117.00 113.28 1v61 n LEU 10 Ca 0.27 -5.13 0.00 0.00 -0.00 0.00 0.00 56.01 51.15 1v61 n LEU 10 Cb 1.47 -0.24 0.00 0.00 -0.00 0.00 0.00 43.42 44.65 1v61 n LEU 10 CO 0.33 2.18 0.00 -1.20 -0.00 0.00 0.00 177.39 178.71 1v61 n SER 11 N -0.27 0.00 -4.54 1.45 7.64 0.26 -5.07 113.62 113.08 1v61 n SER 11 Ca 0.31 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.94 1v61 n SER 11 Cb 0.60 0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 64.06 1v61 n SER 11 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1v61 s GLU 12 N -1.84 1.86 0.59 1.43 -1.05 0.05 -5.03 118.70 114.71 1v61 s GLU 12 Ca 0.00 -1.80 -0.15 0.00 -0.15 0.00 0.00 54.97 52.87 1v61 s GLU 12 Cb 0.00 -1.81 -0.04 0.00 -0.44 0.00 0.00 34.13 31.84 1v61 s GLU 12 CO 0.00 0.23 1.05 -1.25 0.95 0.00 0.00 175.26 176.23 1v61 s PRO 13 N -3.60 3.37 -0.05 -4.83 0.04 -1.26 -4.62 135.00 124.05 1v61 s PRO 13 Ca 0.32 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1v61 s PRO 13 Cb -0.01 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1v61 s PRO 13 CO 0.17 -0.77 1.24 0.42 0.04 0.00 0.00 177.00 178.10 1v61 s ILE 14 N -2.51 4.15 0.35 0.56 1.01 -1.26 -4.82 121.20 118.68 1v61 s ILE 14 Ca 0.63 1.49 -0.28 0.00 0.00 0.00 0.00 60.65 62.48 1v61 s ILE 14 Cb -0.15 -3.96 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 1v61 s ILE 14 CO 0.37 -0.01 1.41 1.67 0.00 0.00 0.00 174.94 178.38 1v61 n GLN 15 N 5.28 2.42 0.00 2.79 7.27 -0.54 -1.40 117.38 133.20 1v61 n GLN 15 Ca 0.11 0.85 0.00 0.00 0.07 0.00 0.00 57.00 58.03 1v61 n GLN 15 Cb 0.46 -2.52 0.00 0.00 2.41 0.00 0.00 30.24 30.59 1v61 n GLN 15 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v61 n ALA 16 N 0.53 0.00 -1.49 1.69 0.00 -1.26 0.16 120.51 120.14 1v61 n ALA 16 Ca 0.03 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.91 1v61 n ALA 16 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 0.00 0.48 -3.24 0.00 -0.00 -0.49 -4.93 117.44 109.26 1v61 n TRP 17 Ca 0.00 1.02 0.04 0.00 -0.00 0.00 0.00 57.50 58.56 1v61 n TRP 17 Cb 0.00 -2.08 -0.02 0.00 -0.00 0.00 0.00 31.31 29.21 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 -0.18 0.33 0.00 5.87 -1.05 -1.26 -4.97 118.70 117.44 1v61 s GLU 18 Ca 0.85 0.66 0.00 0.00 -0.15 0.00 0.00 54.97 56.33 1v61 s GLU 18 Cb -1.18 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 32.88 1v61 s GLU 18 CO 0.56 -0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.90 1v61 n GLY 19 N 5.34 -2.25 1.50 -3.83 0.00 -1.26 -5.06 105.19 99.63 1v61 n GLY 19 Ca -0.06 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1v61 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1v61 n ASP 20 N 0.00 0.00 -3.54 1.61 9.92 -1.26 -5.17 116.55 118.11 1v61 n ASP 20 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1v61 n ASP 20 Cb 0.00 0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 40.51 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 -2.45 -0.27 -0.13 -2.24 1.01 -1.26 -5.05 116.67 106.29 1v61 s ASP 21 Ca 0.00 -0.01 0.11 0.00 0.71 0.00 0.00 52.55 53.36 1v61 s ASP 21 Cb 0.00 0.29 -0.24 0.00 1.01 0.00 0.00 42.92 43.99 1v61 s ASP 21 CO 0.00 -0.48 0.34 0.00 0.21 0.00 0.00 175.17 175.25 1v61 n ILE 22 N -0.19 1.54 0.53 0.77 3.06 -1.26 -3.88 119.36 119.93 1v61 n ILE 22 Ca -0.05 -0.78 0.09 0.00 -2.50 0.00 0.00 62.75 59.50 1v61 n ILE 22 Cb 0.60 -0.95 0.37 0.00 0.54 0.00 0.00 39.64 40.20 1v61 n ILE 22 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1v61 n LYS 23 N -3.01 0.04 0.07 9.51 4.76 -1.26 -1.88 118.16 126.38 1v61 n LYS 23 Ca -0.27 0.25 -0.03 0.00 -2.87 0.00 0.00 58.31 55.40 1v61 n LYS 23 Cb 1.08 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 32.64 1v61 n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1v61 h THR 24 N 0.00 1.02 -0.15 -0.18 1.03 -1.98 -3.32 112.91 109.33 1v61 h THR 24 Ca 0.00 -2.58 -0.04 0.00 -0.01 0.00 0.00 66.41 63.77 1v61 h THR 24 Cb 0.30 2.45 -0.00 0.00 -1.07 0.00 0.00 68.15 69.82 1v61 h THR 24 CO 0.00 0.58 -0.07 -0.07 -0.01 0.00 0.00 175.52 175.95 1v61 h LEU 25 N 0.00 0.33 0.00 0.00 3.38 -1.53 -3.50 115.31 113.99 1v61 h LEU 25 Ca -0.09 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1v61 h LEU 25 Cb 1.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1v61 h LEU 25 CO 0.08 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1v61 n GLY 26 N -0.01 -0.54 0.00 0.83 0.00 -1.21 -4.91 105.19 99.35 1v61 n GLY 26 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.54 -4.00 1.61 3.02 -1.26 -4.67 115.26 110.49 1v61 n ASN 27 Ca 0.00 -0.60 -0.32 0.00 -0.03 0.00 0.00 54.58 53.63 1v61 n ASN 27 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1v61 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1v61 s VAL 28 N -1.23 2.70 0.00 2.41 1.01 -1.26 -3.94 120.40 120.10 1v61 s VAL 28 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 61.98 59.10 1v61 s VAL 28 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1v61 s VAL 28 CO 0.00 -0.74 0.58 -0.38 0.00 0.00 0.00 175.10 174.56 1v61 n ILE 29 N 3.62 0.00 -4.32 2.22 5.41 0.51 -4.61 119.36 122.20 1v61 n ILE 29 Ca 0.04 1.08 -0.30 0.00 1.00 0.00 0.00 62.75 64.58 1v61 n ILE 29 Cb 0.37 -1.79 -0.17 0.00 -0.71 0.00 0.00 39.64 37.34 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 -1.32 2.16 -0.10 1.39 2.19 -1.25 -4.98 117.98 116.06 1v61 s PHE 30 Ca 0.00 -1.11 0.02 0.00 0.33 0.00 0.00 56.93 56.18 1v61 s PHE 30 Cb 0.00 -1.55 0.01 0.00 -1.31 0.00 0.00 43.02 40.17 1v61 s PHE 30 CO 0.00 -0.57 -0.18 1.41 1.83 0.00 0.00 175.22 177.71 1v61 s MET 31 N 1.15 2.42 0.23 10.12 -2.45 -1.26 -3.21 119.30 126.28 1v61 s MET 31 Ca -0.02 -0.65 -0.22 0.00 -1.25 0.00 0.00 55.69 53.55 1v61 s MET 31 Cb -0.14 -1.96 0.04 0.00 1.25 0.00 0.00 34.83 34.02 1v61 s MET 31 CO -0.05 0.02 0.71 0.45 1.05 0.00 0.00 175.02 177.21 1v61 s SER 32 N 0.74 -0.34 -0.50 1.11 0.15 -1.25 -5.05 113.70 108.56 1v61 s SER 32 Ca -0.11 -0.41 -0.25 0.00 0.70 0.00 0.00 55.95 55.88 1v61 s SER 32 Cb -0.16 0.66 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1v61 s SER 32 CO 0.02 -1.18 0.92 -1.58 1.20 0.00 0.00 173.24 172.62 1v61 s GLN 33 N -3.79 3.44 0.55 5.44 0.74 -1.26 -3.29 119.66 121.49 1v61 s GLN 33 Ca 0.08 -0.03 0.07 0.00 0.05 0.00 0.00 55.36 55.54 1v61 s GLN 33 Cb -0.04 -3.98 0.05 0.00 1.10 0.00 0.00 33.01 30.15 1v61 s GLN 33 CO 0.01 -1.32 0.56 0.14 -0.55 0.00 0.00 175.29 174.13 1v61 s VAL 34 N 3.79 1.93 -0.24 1.34 -7.23 0.10 -4.94 120.40 115.17 1v61 s VAL 34 Ca 0.34 -1.27 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1v61 s VAL 34 Cb -0.11 -2.21 0.07 0.00 0.56 0.00 0.00 36.38 34.69 1v61 s VAL 34 CO 0.23 0.00 0.03 -0.69 -0.31 0.00 0.00 175.10 174.36 1v61 s VAL 35 N -2.71 0.86 -0.12 1.32 1.01 -1.26 -0.67 120.40 118.84 1v61 s VAL 35 Ca 0.47 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1v61 s VAL 35 Cb -0.04 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1v61 s VAL 35 CO 0.29 -0.31 -0.10 -0.32 0.00 0.00 0.00 175.10 174.66 1v61 s MET 36 N 1.68 1.75 0.00 2.72 -2.45 0.50 -0.05 119.30 123.45 1v61 s MET 36 Ca 0.01 -0.35 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 1v61 s MET 36 Cb -0.18 -1.70 0.00 0.00 1.25 0.00 0.00 34.83 34.20 1v61 s MET 36 CO -0.12 -0.22 0.00 0.94 1.05 0.00 0.00 175.02 176.66 1v61 n GLN 37 N 4.77 0.00 -2.06 4.11 0.00 -1.25 -4.10 117.38 118.85 1v61 n GLN 37 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.86 1v61 n GLN 37 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 1v61 n GLN 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1v61 n HIS 38 N -2.09 -0.16 -2.27 3.69 -0.00 -1.26 -4.86 115.22 108.28 1v61 n HIS 38 Ca 0.00 -0.06 -0.43 0.00 -0.00 0.00 0.00 57.72 57.23 1v61 n HIS 38 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 1v61 n HIS 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1v61 n GLY 39 N -0.09 4.51 2.32 1.57 0.00 -1.26 -4.76 105.19 107.48 1v61 n GLY 39 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1v61 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v61 n ALA 40 N 4.60 -2.01 -0.41 4.61 0.00 -1.26 -5.05 120.51 120.99 1v61 n ALA 40 Ca 0.42 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.36 1v61 n ALA 40 Cb 0.38 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.88 0.00 -1.64 0.00 1.02 -1.26 -5.15 120.64 111.72 1v61 n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1v61 n GLU 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -2.28 0.00 -2.06 3.49 -0.58 -1.26 -5.17 120.64 112.77 1v61 n GLU 43 Ca 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 1v61 n GLU 43 Cb 0.00 0.00 0.17 0.00 -0.57 0.00 0.00 31.44 31.04 1v61 n GLU 43 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1v61 n LYS 44 N 0.00 -0.87 -3.32 3.49 2.85 -1.26 -4.75 118.16 114.30 1v61 n LYS 44 Ca 0.00 -2.21 -0.11 0.00 -1.05 0.00 0.00 58.31 54.94 1v61 n LYS 44 Cb 0.00 -1.10 -0.07 0.00 -0.65 0.00 0.00 35.03 33.21 1v61 n LYS 44 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1v61 s GLU 45 N -5.55 0.40 0.28 -1.58 0.41 -1.26 -4.86 118.70 106.53 1v61 s GLU 45 Ca 0.70 0.07 -0.29 0.00 -0.41 0.00 0.00 54.97 55.04 1v61 s GLU 45 Cb -0.02 -0.37 -0.10 0.00 -1.78 0.00 0.00 34.13 31.86 1v61 s GLU 45 CO 0.48 -1.04 1.12 -1.21 -0.49 0.00 0.00 175.26 174.13 1v61 s GLU 46 N 2.51 4.61 0.18 1.61 2.02 -1.26 0.19 118.70 128.55 1v61 s GLU 46 Ca 0.10 1.84 -0.24 0.00 0.02 0.00 0.00 54.97 56.69 1v61 s GLU 46 Cb -0.13 -3.18 0.06 0.00 0.10 0.00 0.00 34.13 30.98 1v61 s GLU 46 CO -0.31 0.17 0.76 1.03 0.02 0.00 0.00 175.26 176.93 1v61 s ARG 47 N -1.43 1.38 -0.14 1.61 0.52 0.15 -4.85 118.95 116.19 1v61 s ARG 47 Ca 0.45 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1v61 s ARG 47 Cb -0.33 0.53 -0.03 0.00 0.52 0.00 0.00 34.95 35.64 1v61 s ARG 47 CO 0.42 -0.62 -0.00 -0.47 0.02 0.00 0.00 175.30 174.64 1v61 s TYR 48 N -3.62 3.12 -0.14 -0.53 5.04 -0.18 -0.72 117.35 120.32 1v61 s TYR 48 Ca 0.08 -0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.69 1v61 s TYR 48 Cb -0.03 -1.92 0.01 0.00 0.35 0.00 0.00 41.96 40.37 1v61 s TYR 48 CO -0.02 0.19 -0.21 -0.06 -1.34 0.00 0.00 175.55 174.11 1v61 s PHE 49 N -0.09 2.68 -0.29 4.97 0.40 -1.21 0.25 117.98 124.69 1v61 s PHE 49 Ca 0.04 -1.23 -0.01 0.00 -0.60 0.00 0.00 56.93 55.13 1v61 s PHE 49 Cb -0.13 -1.82 0.05 0.00 0.51 0.00 0.00 43.02 41.63 1v61 s PHE 49 CO 0.02 -0.55 -0.02 -0.51 0.70 0.00 0.00 175.22 174.86 1v61 s LEU 50 N 0.75 3.82 -0.42 -0.37 1.43 0.40 -3.75 118.68 120.55 1v61 s LEU 50 Ca -0.08 -1.29 -0.23 0.00 -1.03 0.00 0.00 54.13 51.50 1v61 s LEU 50 Cb -0.16 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1v61 s LEU 50 CO -0.00 -0.25 0.77 -0.22 0.23 0.00 0.00 176.35 176.88 1v61 s LEU 51 N 1.23 4.22 0.00 1.79 2.96 -1.20 -0.36 118.68 127.33 1v61 s LEU 51 Ca -0.06 0.04 0.25 0.00 -0.22 0.00 0.00 54.13 54.13 1v61 s LEU 51 Cb -0.20 -2.96 0.42 0.00 0.50 0.00 0.00 46.19 43.95 1v61 s LEU 51 CO -0.02 -0.83 1.36 0.49 -1.32 0.00 0.00 176.35 176.03 1v61 n PHE 52 N 6.57 0.00 0.00 5.38 3.01 -0.58 0.19 117.46 132.03 1v61 n PHE 52 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1v61 n PHE 52 Cb 0.48 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 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 -0.32 0.00 0.00 4.37 3.41 -1.26 -4.45 113.62 115.37 1v61 n SER 53 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1v61 n SER 53 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.42 -3.62 4.04 2.88 -1.26 -4.85 113.62 111.23 1v61 n SER 54 Ca 0.00 -0.73 -0.04 0.00 -1.33 0.00 0.00 58.87 56.77 1v61 n SER 54 Cb 0.00 0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.31 0.00 -0.50 2.46 0.11 -1.26 -3.19 120.40 117.70 1v61 s VAL 55 Ca 0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 1v61 s VAL 55 Cb 0.00 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.98 1v61 s VAL 55 CO 0.00 0.00 0.38 -0.22 -3.33 0.00 0.00 175.10 171.93 1v61 s LEU 56 N -1.51 5.76 0.09 2.54 1.98 0.55 -1.53 118.68 126.57 1v61 s LEU 56 Ca 0.08 -2.00 -0.28 0.00 -2.89 0.00 0.00 54.13 49.03 1v61 s LEU 56 Cb -0.01 -2.02 -0.06 0.00 0.66 0.00 0.00 46.19 44.76 1v61 s LEU 56 CO -0.05 -0.68 0.90 -0.63 -1.89 0.00 0.00 176.35 174.00 1v61 s ILE 57 N 1.23 4.56 -0.07 6.68 -1.09 0.52 -1.77 121.20 131.26 1v61 s ILE 57 Ca 0.07 1.93 0.05 0.00 -2.23 0.00 0.00 60.65 60.46 1v61 s ILE 57 Cb -0.25 -4.25 -0.01 0.00 -1.58 0.00 0.00 42.46 36.36 1v61 s ILE 57 CO -0.01 0.34 -0.23 -0.04 -1.23 0.00 0.00 174.94 173.77 1v61 s MET 58 N -0.06 2.75 0.27 2.79 -1.94 -1.05 0.15 119.30 122.21 1v61 s MET 58 Ca 0.44 -0.86 0.11 0.00 -1.71 0.00 0.00 55.69 53.66 1v61 s MET 58 Cb -0.22 -2.26 -0.05 0.00 2.01 0.00 0.00 34.83 34.31 1v61 s MET 58 CO 0.28 0.33 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.92 1v61 s LEU 59 N -0.03 2.59 0.04 -0.03 1.02 0.14 -1.93 118.68 120.48 1v61 s LEU 59 Ca -0.07 -1.04 0.00 0.00 0.02 0.00 0.00 54.13 53.05 1v61 s LEU 59 Cb -0.15 -1.01 -0.03 0.00 0.02 0.00 0.00 46.19 45.03 1v61 s LEU 59 CO 0.05 -0.01 -0.04 -0.55 0.02 0.00 0.00 176.35 175.81 1v61 s SER 60 N -3.47 0.50 -0.52 2.29 0.15 0.70 -1.01 113.70 112.34 1v61 s SER 60 Ca 0.29 -0.65 0.07 0.00 0.70 0.00 0.00 55.95 56.36 1v61 s SER 60 Cb -0.04 0.10 0.32 0.00 -1.71 0.00 0.00 66.02 64.70 1v61 s SER 60 CO 0.13 -0.35 0.83 0.00 1.20 0.00 0.00 173.24 175.05 1v61 n ALA 61 N 1.15 3.70 -0.29 5.45 0.00 -1.26 -0.71 120.51 128.55 1v61 n ALA 61 Ca -0.21 -4.27 -0.01 0.00 0.00 0.00 0.00 53.44 48.95 1v61 n ALA 61 Cb 0.57 -0.82 0.05 0.00 0.00 0.00 0.00 19.45 19.25 1v61 n ALA 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1v61 h SER 62 N 3.25 -1.15 -0.46 0.00 0.02 -1.97 -3.40 113.55 109.84 1v61 h SER 62 Ca 0.13 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1v61 h SER 62 Cb 0.68 0.62 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1v61 h SER 62 CO 0.71 -0.29 0.00 -0.81 -1.14 0.00 0.00 176.83 175.30 1v61 n PRO 63 N -5.48 0.60 0.00 3.45 -0.04 -1.26 -5.06 135.00 127.21 1v61 n PRO 63 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1v61 n PRO 63 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1v61 n PRO 63 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1v61 n ARG 64 N -0.33 0.00 -3.73 0.54 1.74 -1.26 -4.93 116.66 108.69 1v61 n ARG 64 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1v61 n ARG 64 Cb 0.00 -0.26 -0.16 0.00 -1.02 0.00 0.00 32.46 31.01 1v61 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1v61 s MET 65 N -0.03 0.61 0.00 5.56 0.23 -1.26 -5.01 119.30 119.40 1v61 s MET 65 Ca 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 55.69 54.25 1v61 s MET 65 Cb 0.00 -2.09 0.00 0.00 -1.53 0.00 0.00 34.83 31.21 1v61 s MET 65 CO 0.00 -0.65 0.00 0.45 -2.03 0.00 0.00 175.02 172.79 1v61 n SER 66 N 5.06 0.00 -0.50 -1.18 2.88 -1.26 -5.15 113.62 113.47 1v61 n SER 66 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1v61 n SER 66 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1v61 n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v61 n GLY 67 N 0.00 -0.18 3.45 0.46 0.00 -1.26 -4.92 105.19 102.74 1v61 n GLY 67 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1v61 n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1v61 s PHE 68 N 0.00 1.89 -0.14 1.61 0.08 -1.26 -4.86 117.98 115.30 1v61 s PHE 68 Ca 0.00 -1.03 -0.00 0.00 0.12 0.00 0.00 56.93 56.02 1v61 s PHE 68 Cb 0.00 -1.23 0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1v61 s PHE 68 CO 0.00 -0.07 -0.08 1.41 -0.10 0.00 0.00 175.22 176.38 1v61 s MET 69 N -3.88 1.69 -0.08 0.44 -2.45 0.11 -1.46 119.30 113.66 1v61 s MET 69 Ca 0.35 -0.41 -0.30 0.00 -1.25 0.00 0.00 55.69 54.08 1v61 s MET 69 Cb 0.08 -1.84 -0.03 0.00 1.25 0.00 0.00 34.83 34.29 1v61 s MET 69 CO 0.15 -0.31 1.28 -0.47 1.05 0.00 0.00 175.02 176.72 1v61 s TYR 70 N 1.63 2.94 0.00 4.11 5.04 0.43 -0.22 117.35 131.28 1v61 s TYR 70 Ca 0.04 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 1v61 s TYR 70 Cb -0.13 -3.52 0.00 0.00 0.35 0.00 0.00 41.96 38.65 1v61 s TYR 70 CO -0.09 -1.80 0.00 1.04 -1.34 0.00 0.00 175.55 173.36 1v61 n GLN 71 N 5.82 0.00 -4.09 4.97 1.13 -0.81 -4.60 117.38 119.79 1v61 n GLN 71 Ca 0.13 0.13 -0.12 0.00 -1.94 0.00 0.00 57.00 55.20 1v61 n GLN 71 Cb 0.45 -0.60 -0.07 0.00 0.11 0.00 0.00 30.24 30.13 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 -2.63 1.10 -0.01 1.08 0.00 -1.26 -5.06 107.32 100.54 1v61 s GLY 72 Ca 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 44.72 43.42 1v61 s GLY 72 CO 0.00 -0.99 -0.10 -1.59 0.00 0.00 0.00 173.10 170.42 1v61 s LYS 73 N -3.84 0.87 -0.23 2.90 0.00 -1.26 -2.53 119.74 115.66 1v61 s LYS 73 Ca 0.30 -0.36 0.00 0.00 0.00 0.00 0.00 55.97 55.92 1v61 s LYS 73 Cb 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 37.83 37.05 1v61 s LYS 73 CO 0.13 0.20 -0.11 0.42 0.00 0.00 0.00 175.35 175.98 1v61 s ILE 74 N -0.14 2.49 -0.01 3.79 1.01 -0.73 -4.89 121.20 122.72 1v61 s ILE 74 Ca 0.02 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1v61 s ILE 74 Cb -0.05 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1v61 s ILE 74 CO -0.00 0.26 1.20 -2.16 0.00 0.00 0.00 174.94 174.24 1v61 s PRO 75 N 1.27 4.39 0.57 2.79 0.04 -1.26 0.21 135.00 143.00 1v61 s PRO 75 Ca -0.00 1.71 0.44 0.00 0.04 0.00 0.00 61.00 63.19 1v61 s PRO 75 Cb -0.16 -3.48 1.56 0.00 0.04 0.00 0.00 34.50 32.46 1v61 s PRO 75 CO -0.07 -0.37 1.55 0.82 0.04 0.00 0.00 177.00 178.97 1v61 h ILE 76 N 4.83 0.05 -3.20 0.56 1.08 -1.87 -3.33 117.51 115.61 1v61 h ILE 76 Ca -0.37 0.00 -0.53 0.00 -0.39 0.00 0.00 64.86 63.57 1v61 h ILE 76 Cb 1.18 0.05 0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1v61 h ILE 76 CO 0.85 0.00 0.67 0.00 -0.69 0.00 0.00 178.15 178.98 1v61 s ALA 77 N -4.78 3.53 0.00 1.87 0.00 -1.26 -2.03 121.76 119.09 1v61 s ALA 77 Ca -0.05 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1v61 s ALA 77 Cb 0.24 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1v61 s ALA 77 CO 0.80 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1v61 n GLY 78 N 2.93 2.90 3.52 0.00 0.00 -1.26 -4.99 105.19 108.30 1v61 n GLY 78 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1v61 n GLY 78 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1v61 n MET 79 N -2.00 0.41 -3.65 1.61 0.00 -0.86 -4.16 117.12 108.47 1v61 n MET 79 Ca 0.00 0.18 -0.26 0.00 0.00 0.00 0.00 57.70 57.63 1v61 n MET 79 Cb 0.00 -1.97 -0.17 0.00 0.00 0.00 0.00 33.22 31.08 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 -1.85 0.05 -0.11 1.12 1.01 -0.62 -4.89 120.40 115.11 1v61 s VAL 80 Ca 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1v61 s VAL 80 Cb -0.36 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.44 1v61 s VAL 80 CO 0.55 -0.19 -0.05 -0.69 0.00 0.00 0.00 175.10 174.72 1v61 s VAL 81 N 2.08 0.83 -0.31 2.92 1.01 -1.26 -3.27 120.40 122.39 1v61 s VAL 81 Ca 0.02 -0.22 0.17 0.00 0.00 0.00 0.00 61.98 61.96 1v61 s VAL 81 Cb -0.16 -0.92 0.46 0.00 0.00 0.00 0.00 36.38 35.76 1v61 s VAL 81 CO -0.08 0.29 1.29 0.59 0.00 0.00 0.00 175.10 177.18 1v61 n ASN 82 N 5.00 0.09 -3.80 3.32 3.02 -1.26 -4.94 115.26 116.70 1v61 n ASN 82 Ca -0.11 -2.20 -0.30 0.00 -0.03 0.00 0.00 54.58 51.95 1v61 n ASN 82 Cb 0.50 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.92 -1.23 -3.67 3.52 1.85 -1.26 -0.41 116.66 114.54 1v61 n ARG 83 Ca -0.03 0.10 -0.22 0.00 -1.00 0.00 0.00 57.85 56.69 1v61 n ARG 83 Cb 0.84 -4.23 0.00 0.00 -1.05 0.00 0.00 32.46 28.02 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 -3.38 -2.75 -1.28 2.89 4.77 -1.26 -4.54 117.00 111.45 1v61 n LEU 84 Ca 0.08 -0.83 0.09 0.00 -0.03 0.00 0.00 56.01 55.32 1v61 n LEU 84 Cb 0.42 -1.99 0.29 0.00 -2.33 0.00 0.00 43.42 39.81 1v61 n LEU 84 CO 0.67 0.14 0.74 -0.67 -1.33 0.00 0.00 177.39 176.94 1v61 n ASP 85 N -2.44 3.74 0.00 -1.43 -0.08 0.46 -4.06 116.55 112.74 1v61 n ASP 85 Ca -0.23 -2.20 0.13 0.00 -1.51 0.00 0.00 54.79 50.98 1v61 n ASP 85 Cb 0.64 -0.48 0.71 0.00 2.34 0.00 0.00 41.12 44.34 1v61 n ASP 85 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1v61 n GLU 86 N 1.10 0.50 0.00 -0.67 1.02 -1.26 -4.76 120.64 116.57 1v61 n GLU 86 Ca 0.21 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1v61 n GLU 86 Cb 0.66 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 -1.22 0.00 -3.46 -3.67 2.08 -1.26 -5.15 119.36 106.68 1v61 n ILE 87 Ca 0.15 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.45 1v61 n ILE 87 Cb 0.19 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.04 1v61 n ILE 87 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1v61 s GLU 88 N 3.49 0.54 -0.50 0.38 2.02 -1.26 -5.01 118.70 118.36 1v61 s GLU 88 Ca 0.00 1.22 -0.29 0.00 0.02 0.00 0.00 54.97 55.92 1v61 s GLU 88 Cb 0.00 0.66 0.04 0.00 0.10 0.00 0.00 34.13 34.93 1v61 s GLU 88 CO 0.00 -0.37 0.61 0.41 0.02 0.00 0.00 175.26 175.93 1v61 n GLY 89 N 5.43 -0.12 2.77 -1.39 0.00 -1.26 -4.95 105.19 105.66 1v61 n GLY 89 Ca -0.07 0.97 -0.03 0.00 0.00 0.00 0.00 46.02 46.89 1v61 n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v61 s SER 90 N -1.69 -1.00 0.42 1.61 0.15 -1.26 -5.12 113.70 106.81 1v61 s SER 90 Ca 0.28 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1v61 s SER 90 Cb -0.03 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 1v61 s SER 90 CO 0.82 -0.05 0.00 0.47 1.20 0.00 0.00 173.24 175.69 1v61 n ASP 91 N 2.98 -6.84 0.00 5.45 8.00 -1.26 -4.97 116.55 119.91 1v61 n ASP 91 Ca 0.15 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.75 1v61 n ASP 91 Cb 0.60 -3.59 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 1v61 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v61 n MET 93 N -0.31 0.00 -3.52 0.00 0.00 -1.26 -4.52 117.12 107.51 1v61 n MET 93 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 1v61 n MET 93 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 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 0.00 -0.35 0.36 3.17 -0.71 -1.26 -4.13 117.98 115.06 1v61 s PHE 94 Ca 0.00 0.32 0.08 0.00 -1.04 0.00 0.00 56.93 56.30 1v61 s PHE 94 Cb 0.00 0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 42.28 1v61 s PHE 94 CO 0.00 -0.49 0.13 -1.83 -1.34 0.00 0.00 175.22 171.70 1v61 s GLU 95 N -2.60 2.29 -0.36 1.99 -1.05 -1.26 -2.86 118.70 114.85 1v61 s GLU 95 Ca 0.03 -1.65 -0.00 0.00 -0.15 0.00 0.00 54.97 53.21 1v61 s GLU 95 Cb -0.01 -2.10 0.13 0.00 -0.44 0.00 0.00 34.13 31.71 1v61 s GLU 95 CO -0.06 0.06 0.19 0.42 0.95 0.00 0.00 175.26 176.82 1v61 s ILE 96 N -2.48 0.57 0.30 1.83 1.01 0.13 -4.47 121.20 118.09 1v61 s ILE 96 Ca 0.38 -1.75 0.02 0.00 0.00 0.00 0.00 60.65 59.30 1v61 s ILE 96 Cb -0.01 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1v61 s ILE 96 CO 0.22 -0.88 0.14 0.35 0.00 0.00 0.00 174.94 174.77 1v61 n THR 97 N 4.21 0.00 0.00 2.92 -2.24 -1.20 -1.94 114.28 116.02 1v61 n THR 97 Ca 0.06 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 1v61 n THR 97 Cb 0.38 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.37 -0.09 0.06 3.38 0.00 -1.25 -1.59 105.19 107.07 1v61 n GLY 98 Ca -0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 1v61 n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v61 n SER 99 N 0.00 -0.03 -0.18 1.61 7.64 -1.26 -4.69 113.62 116.71 1v61 n SER 99 Ca 0.00 -1.01 -0.08 0.00 1.01 0.00 0.00 58.87 58.79 1v61 n SER 99 Cb 0.00 0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 1v61 n SER 99 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1v61 h THR 100 N 1.02 0.00 0.00 0.44 2.02 -2.02 -3.38 112.91 110.98 1v61 h THR 100 Ca -0.00 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.97 1v61 h THR 100 Cb 0.02 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.29 1v61 h THR 100 CO 0.01 0.00 -0.34 0.55 0.37 0.00 0.00 175.52 176.10 1v61 n VAL 101 N -4.36 0.00 -4.96 3.16 3.14 -1.26 -5.14 118.33 108.91 1v61 n VAL 101 Ca -0.00 -1.31 -0.27 0.00 -2.96 0.00 0.00 64.34 59.80 1v61 n VAL 101 Cb 0.18 1.41 -0.16 0.00 -1.06 0.00 0.00 33.84 34.21 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 0.33 1.80 -0.06 1.45 2.56 -1.26 -5.12 118.70 118.39 1v61 s GLU 102 Ca 0.24 -0.70 -0.02 0.00 0.00 0.00 0.00 54.97 54.50 1v61 s GLU 102 Cb 0.27 -1.63 0.03 0.00 2.00 0.00 0.00 34.13 34.80 1v61 s GLU 102 CO -0.12 0.35 0.03 0.50 -0.56 0.00 0.00 175.26 175.46 1v61 s ARG 103 N -0.23 0.26 -0.41 4.30 3.52 -1.26 -3.94 118.95 121.18 1v61 s ARG 103 Ca 0.02 0.23 -0.17 0.00 -0.13 0.00 0.00 55.73 55.67 1v61 s ARG 103 Cb -0.10 -0.79 0.02 0.00 -1.56 0.00 0.00 34.95 32.52 1v61 s ARG 103 CO 0.01 -0.33 0.43 0.42 -0.81 0.00 0.00 175.30 175.01 1v61 s ILE 104 N 2.07 5.10 -0.61 4.11 1.01 -0.82 -4.89 121.20 127.17 1v61 s ILE 104 Ca 0.05 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1v61 s ILE 104 Cb -0.12 -4.02 0.13 0.00 0.01 0.00 0.00 42.46 38.46 1v61 s ILE 104 CO -0.04 -0.39 0.63 -0.69 0.00 0.00 0.00 174.94 174.44 1v61 s VAL 105 N 2.11 5.09 0.06 2.92 1.01 -1.26 0.20 120.40 130.53 1v61 s VAL 105 Ca 0.12 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.42 1v61 s VAL 105 Cb -0.17 -4.43 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 1v61 s VAL 105 CO 0.13 -1.01 0.75 -0.69 0.00 0.00 0.00 175.10 174.29 1v61 s VAL 106 N 1.88 4.68 0.71 2.92 1.01 -1.14 -3.74 120.40 126.73 1v61 s VAL 106 Ca 0.09 1.61 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 1v61 s VAL 106 Cb -0.25 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.06 1v61 s VAL 106 CO 0.02 0.40 1.09 -1.00 0.00 0.00 0.00 175.10 175.62 1v61 s HIS 107 N -0.28 2.66 0.00 5.22 3.76 0.93 -4.18 115.29 123.40 1v61 s HIS 107 Ca 0.37 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.82 1v61 s HIS 107 Cb -0.21 -3.08 0.00 0.00 1.11 0.00 0.00 32.58 30.41 1v61 s HIS 107 CO 0.23 -1.67 0.00 0.00 -0.85 0.00 0.00 174.74 172.45 1v61 n ASN 109 N -2.68 0.00 -2.03 0.00 3.02 -1.26 -4.92 115.26 107.38 1v61 n ASN 109 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1v61 n ASN 109 Cb 0.00 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1v61 n ASN 109 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1v61 n ASN 110 N -1.98 -4.34 0.00 6.41 2.85 -1.26 -5.05 115.26 111.88 1v61 n ASN 110 Ca 0.00 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1v61 n ASN 110 Cb 0.00 -2.73 0.00 0.00 1.24 0.00 0.00 39.78 38.29 1v61 n ASN 110 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1v61 n ASN 111 N -0.47 0.00 0.32 1.20 2.85 -1.26 -4.98 115.26 112.92 1v61 n ASN 111 Ca 0.04 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.69 1v61 n ASN 111 Cb 0.20 0.00 0.93 0.00 1.24 0.00 0.00 39.78 42.14 1v61 n ASN 111 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1v61 h GLN 112 N 0.00 0.00 0.23 1.20 4.15 -2.00 -0.55 115.11 118.14 1v61 h GLN 112 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1v61 h GLN 112 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1v61 h GLN 112 CO 0.00 0.00 -0.11 -0.44 -1.93 0.00 0.00 178.83 176.35 1v61 h ASP 113 N 0.00 -0.26 0.05 -0.69 3.32 -1.99 -2.10 116.42 114.76 1v61 h ASP 113 Ca 0.01 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.89 1v61 h ASP 113 Cb 0.49 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1v61 h ASP 113 CO -0.00 0.05 -0.46 0.15 -1.72 0.00 0.00 179.24 177.26 1v61 h PHE 114 N -0.59 -1.34 -1.07 4.55 3.57 -1.48 0.50 116.94 121.07 1v61 h PHE 114 Ca -0.03 0.04 0.29 0.00 3.53 0.00 0.00 57.97 61.79 1v61 h PHE 114 Cb 0.43 0.58 -0.09 0.00 2.79 0.00 0.00 35.95 39.66 1v61 h PHE 114 CO 0.02 -0.50 0.70 0.37 -2.23 0.00 0.00 178.31 176.66 1v61 h GLN 115 N -0.61 0.32 0.66 1.11 -0.00 -1.59 0.03 115.11 115.03 1v61 h GLN 115 Ca 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 1v61 h GLN 115 Cb 0.64 -0.07 0.01 0.00 0.00 0.00 0.00 27.48 28.05 1v61 h GLN 115 CO -0.28 0.21 -0.32 0.93 0.00 0.00 0.00 178.83 179.38 1v61 h GLU 116 N 0.33 -0.86 -0.76 1.69 4.39 -0.26 0.69 114.58 119.80 1v61 h GLU 116 Ca 0.61 0.06 0.18 0.00 0.34 0.00 0.00 59.36 60.55 1v61 h GLU 116 Cb 1.66 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 30.39 1v61 h GLU 116 CO -0.28 -0.54 0.12 -1.49 -1.16 0.00 0.00 179.01 175.66 1v61 h TRP 117 N -1.05 0.16 -0.25 4.33 4.06 0.79 0.89 115.95 124.89 1v61 h TRP 117 Ca -0.09 0.05 -0.10 0.00 2.06 0.00 0.00 58.89 60.81 1v61 h TRP 117 Cb 0.72 0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.91 1v61 h TRP 117 CO -0.01 -0.17 -0.26 0.52 -3.56 0.00 0.00 178.44 174.96 1v61 h MET 118 N 0.19 0.48 0.30 0.49 2.86 -0.97 0.21 114.93 118.50 1v61 h MET 118 Ca 0.44 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1v61 h MET 118 Cb 0.78 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1v61 h MET 118 CO -0.59 0.71 -0.15 0.93 1.06 0.00 0.00 176.91 178.87 1v61 h GLU 119 N 0.42 -0.39 0.56 1.72 4.39 0.68 -1.36 114.58 120.60 1v61 h GLU 119 Ca 0.06 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1v61 h GLU 119 Cb 0.69 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1v61 h GLU 119 CO 0.05 -0.11 -0.27 -0.56 -1.16 0.00 0.00 179.01 176.96 1v61 h GLN 120 N -0.65 -0.72 -0.92 2.33 3.07 -0.05 -2.51 115.11 115.65 1v61 h GLN 120 Ca -0.04 0.05 0.27 0.00 0.09 0.00 0.00 58.65 59.02 1v61 h GLN 120 Cb 0.46 0.16 -0.04 0.00 0.08 0.00 0.00 27.48 28.15 1v61 h GLN 120 CO 0.07 -0.41 0.86 -0.07 0.09 0.00 0.00 178.83 179.36 1v61 h LEU 121 N -1.03 0.00 0.25 0.06 3.38 -0.66 2.10 115.31 119.41 1v61 h LEU 121 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1v61 h LEU 121 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1v61 h LEU 121 CO 0.13 0.00 -0.12 0.78 0.09 0.00 0.00 178.44 179.32 1v61 h ASN 122 N 0.00 -0.28 0.32 -0.43 2.35 -0.82 -1.98 115.58 114.73 1v61 h ASN 122 Ca 0.44 -0.23 -0.20 0.00 -0.55 0.00 0.00 56.30 55.76 1v61 h ASN 122 Cb 2.15 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 40.59 1v61 h ASN 122 CO -0.00 0.12 -0.83 0.08 -1.65 0.00 0.00 177.43 175.14 1v61 h ARG 123 N -0.75 0.39 0.00 0.81 0.11 0.37 -2.73 114.38 112.58 1v61 h ARG 123 Ca -0.03 -0.37 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1v61 h ARG 123 Cb 0.50 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1v61 h ARG 123 CO 0.06 1.03 0.00 1.28 0.10 0.00 0.00 179.97 182.43 1v61 n LEU 124 N -3.78 0.00 -0.40 0.08 4.77 0.66 -2.19 117.00 116.13 1v61 n LEU 124 Ca -0.05 0.67 0.37 0.00 -0.03 0.00 0.00 56.01 56.97 1v61 n LEU 124 Cb 0.77 -0.17 0.73 0.00 -2.33 0.00 0.00 43.42 42.42 1v61 n LEU 124 CO 0.49 -0.17 1.34 0.71 -1.33 0.00 0.00 177.39 178.43 1v61 h THR 125 N 0.00 0.33 -3.10 -5.08 1.35 -1.50 -3.40 112.91 101.51 1v61 h THR 125 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1v61 h THR 125 Cb 0.00 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 66.70 1v61 h THR 125 CO 0.00 0.01 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 1v61 n LYS 126 N -4.22 1.59 -3.71 4.72 5.02 -0.93 -4.92 118.16 115.71 1v61 n LYS 126 Ca 0.30 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.29 1v61 n LYS 126 Cb 1.36 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 36.24 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 3.61 0.00 4.39 0.15 -1.21 -4.84 113.70 114.80 1v61 s SER 127 Ca 0.00 -2.78 0.00 0.00 0.70 0.00 0.00 55.95 53.87 1v61 s SER 127 Cb 0.00 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1v61 s SER 127 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1v61 n GLY 128 N 3.33 2.12 3.80 9.45 0.00 -1.25 -5.04 105.19 117.60 1v61 n GLY 128 Ca 0.11 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.43 3.76 -0.46 1.61 0.04 -1.26 -4.43 135.00 131.83 1v61 s PRO 129 Ca 0.00 1.34 -0.28 0.00 0.04 0.00 0.00 61.00 62.09 1v61 s PRO 129 Cb 0.00 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1v61 s PRO 129 CO 0.00 -0.46 1.41 0.45 0.04 0.00 0.00 177.00 178.44 1v61 s SER 130 N -2.07 6.28 -0.38 6.66 0.15 -1.26 -4.12 113.70 118.95 1v61 s SER 130 Ca 0.67 0.66 -0.21 0.00 0.70 0.00 0.00 55.95 57.78 1v61 s SER 130 Cb -0.16 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1v61 s SER 130 CO 0.22 -1.51 0.50 -0.24 1.20 0.00 0.00 173.24 173.40 1v61 n SER 131 N 9.05 -7.03 -0.24 5.45 2.88 -1.26 -5.19 113.62 117.28 1v61 n SER 131 Ca 0.15 0.40 0.15 0.00 -1.33 0.00 0.00 58.87 58.25 1v61 n SER 131 Cb 0.48 -3.80 0.74 0.00 -0.75 0.00 0.00 64.21 60.88 1v61 n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42