#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z2m s ASP 4 N 0.00 5.91 -0.04 -0.99 3.68 -1.26 -0.53 116.67 123.45 1z2m s ASP 4 Ca 0.00 -0.66 0.07 0.00 2.13 0.00 0.00 52.55 54.09 1z2m s ASP 4 Cb 0.00 -2.10 -0.01 0.00 -1.45 0.00 0.00 42.92 39.36 1z2m s ASP 4 CO 0.00 -0.31 -0.24 -0.22 0.13 0.00 0.00 175.17 174.53 1z2m s LEU 5 N 1.66 2.05 -0.15 -1.34 2.96 0.74 -1.06 118.68 123.54 1z2m s LEU 5 Ca 0.05 -0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 53.33 1z2m s LEU 5 Cb -0.18 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1z2m s LEU 5 CO 0.09 0.27 0.39 -0.89 -1.32 0.00 0.00 176.35 174.89 1z2m s THR 6 N -0.38 5.24 -0.34 3.68 2.01 -0.67 -0.51 115.64 124.68 1z2m s THR 6 Ca 0.04 0.75 -0.06 0.00 0.31 0.00 0.00 61.69 62.72 1z2m s THR 6 Cb -0.11 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 68.71 1z2m s THR 6 CO 0.01 0.34 0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1z2m s VAL 7 N 0.68 3.77 -0.21 3.82 1.01 0.69 -1.84 120.40 128.32 1z2m s VAL 7 Ca 0.21 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1z2m s VAL 7 Cb -0.14 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1z2m s VAL 7 CO 0.07 -0.17 0.13 -0.75 0.00 0.00 0.00 175.10 174.39 1z2m s LYS 8 N 1.40 4.14 -0.01 2.72 2.20 -0.26 -1.81 119.74 128.13 1z2m s LYS 8 Ca -0.02 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.33 1z2m s LYS 8 Cb -0.19 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1z2m s LYS 8 CO 0.03 0.22 0.15 -1.64 -0.36 0.00 0.00 175.35 173.75 1z2m s MET 9 N 0.58 3.33 0.23 4.03 -1.94 -0.93 -0.78 119.30 123.81 1z2m s MET 9 Ca 0.08 -0.37 0.12 0.00 -1.71 0.00 0.00 55.69 53.81 1z2m s MET 9 Cb -0.12 -3.03 -0.02 0.00 2.01 0.00 0.00 34.83 33.67 1z2m s MET 9 CO 0.00 0.67 1.39 -0.07 -0.01 0.00 0.00 175.02 177.00 1z2m h LEU 10 N 3.90 0.00 0.00 -0.03 4.07 -1.87 -3.33 115.31 118.06 1z2m h LEU 10 Ca -0.49 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.16 1z2m h LEU 10 Cb 1.19 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.87 1z2m h LEU 10 CO 0.67 0.67 -2.19 0.00 -1.08 0.00 0.00 178.44 176.51 1z2m n ALA 11 N -2.27 1.65 -2.13 1.53 0.00 -1.26 -4.98 120.51 113.05 1z2m n ALA 11 Ca 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1z2m n ALA 11 Cb 0.80 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1z2m n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z2m n GLY 12 N 1.65 2.33 0.00 0.00 0.00 -1.25 -5.13 105.19 102.79 1z2m n GLY 12 Ca -0.26 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1z2m n GLY 12 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1z2m n ASN 13 N 0.00 0.00 -3.62 1.61 5.15 -1.26 -4.71 115.26 112.42 1z2m n ASN 13 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 1z2m n ASN 13 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1z2m n ASN 13 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1z2m s GLU 14 N 0.67 0.18 0.14 1.20 -1.05 -1.26 -2.19 118.70 116.39 1z2m s GLU 14 Ca 0.00 -0.00 -0.13 0.00 -0.15 0.00 0.00 54.97 54.68 1z2m s GLU 14 Cb 0.00 0.08 0.02 0.00 -0.44 0.00 0.00 34.13 33.79 1z2m s GLU 14 CO 0.00 -0.07 0.36 -0.59 0.95 0.00 0.00 175.26 175.92 1z2m s PHE 15 N -1.50 0.00 0.50 4.83 -0.12 -0.75 -4.97 117.98 115.98 1z2m s PHE 15 Ca 0.08 -0.36 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 1z2m s PHE 15 Cb -0.01 0.16 0.02 0.00 -0.63 0.00 0.00 43.02 42.56 1z2m s PHE 15 CO -0.05 -0.72 0.73 -0.65 -0.05 0.00 0.00 175.22 174.48 1z2m s GLN 16 N -3.86 2.80 0.03 1.99 1.11 -1.26 -0.22 119.66 120.25 1z2m s GLN 16 Ca 0.07 -0.63 -0.18 0.00 0.01 0.00 0.00 55.36 54.64 1z2m s GLN 16 Cb 0.02 -2.52 0.03 0.00 -1.01 0.00 0.00 33.01 29.54 1z2m s GLN 16 CO -0.08 -0.51 0.40 0.08 0.01 0.00 0.00 175.29 175.19 1z2m s VAL 17 N -2.67 0.06 -0.07 1.09 1.01 0.34 -4.89 120.40 115.27 1z2m s VAL 17 Ca 0.53 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1z2m s VAL 17 Cb -0.10 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1z2m s VAL 17 CO 0.38 -0.26 -0.16 -0.44 0.00 0.00 0.00 175.10 174.62 1z2m s SER 18 N -1.90 2.18 -0.25 3.32 0.01 -1.24 -0.18 113.70 115.63 1z2m s SER 18 Ca -0.06 -0.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.73 1z2m s SER 18 Cb -0.01 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.24 1z2m s SER 18 CO -0.01 0.09 0.12 -0.76 0.41 0.00 0.00 173.24 173.09 1z2m s LEU 19 N 0.47 3.76 0.00 2.44 2.01 0.32 -4.76 118.68 122.92 1z2m s LEU 19 Ca -0.14 -0.08 0.15 0.00 0.01 0.00 0.00 54.13 54.08 1z2m s LEU 19 Cb -0.16 -2.02 -0.09 0.00 0.01 0.00 0.00 46.19 43.94 1z2m s LEU 19 CO 0.05 -0.01 0.72 -1.20 1.01 0.00 0.00 176.35 176.91 1z2m n SER 20 N 4.78 1.10 0.00 2.29 7.64 -1.26 0.17 113.62 128.34 1z2m n SER 20 Ca -0.15 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.68 1z2m n SER 20 Cb 0.52 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.47 1z2m n SER 20 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1z2m n SER 21 N -0.79 0.00 0.00 6.43 2.88 -1.26 -4.95 113.62 115.94 1z2m n SER 21 Ca 0.04 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.58 1z2m n SER 21 Cb 0.27 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.63 1z2m n SER 21 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1z2m n SER 22 N 0.00 0.63 -2.68 -3.46 3.41 -1.26 -5.02 113.62 105.24 1z2m n SER 22 Ca 0.00 0.28 -0.03 0.00 -0.26 0.00 0.00 58.87 58.85 1z2m n SER 22 Cb 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1z2m n SER 22 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1z2m n MET 23 N -2.80 -1.53 -4.01 4.33 0.00 -1.26 -4.86 117.12 106.99 1z2m n MET 23 Ca -0.13 1.58 -0.25 0.00 0.00 0.00 0.00 57.70 58.91 1z2m n MET 23 Cb 0.86 -4.93 -0.05 0.00 0.00 0.00 0.00 33.22 29.10 1z2m n MET 23 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1z2m s SER 24 N -2.54 4.57 0.29 7.83 1.04 -1.26 -3.45 113.70 120.18 1z2m s SER 24 Ca 0.11 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.47 1z2m s SER 24 Cb -0.03 -0.26 0.54 0.00 0.10 0.00 0.00 66.02 66.37 1z2m s SER 24 CO 0.62 -0.70 1.88 0.58 0.98 0.00 0.00 173.24 176.60 1z2m h VAL 25 N 1.21 1.00 -0.30 5.02 2.07 -1.86 -1.78 116.25 121.61 1z2m h VAL 25 Ca -0.41 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1z2m h VAL 25 Cb 1.27 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1z2m h VAL 25 CO 0.65 0.19 0.16 0.28 0.02 0.00 0.00 177.57 178.86 1z2m h SER 26 N 1.02 0.39 -0.84 0.57 0.02 -1.96 -1.98 113.55 110.76 1z2m h SER 26 Ca 0.44 -0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.36 1z2m h SER 26 Cb 0.33 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.71 1z2m h SER 26 CO -0.19 0.38 0.51 -0.33 -1.14 0.00 0.00 176.83 176.06 1z2m h GLU 27 N 0.36 0.87 0.24 3.45 5.08 -1.75 0.24 114.58 123.07 1z2m h GLU 27 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1z2m h GLU 27 Cb 0.09 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1z2m h GLU 27 CO -0.02 0.58 -0.23 1.25 -1.00 0.00 0.00 179.01 179.59 1z2m h LEU 28 N 0.90 -0.61 -1.63 1.33 6.46 -0.96 -1.86 115.31 118.94 1z2m h LEU 28 Ca 0.38 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.21 1z2m h LEU 28 Cb 0.25 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1z2m h LEU 28 CO -0.20 -0.34 0.26 0.11 -0.62 0.00 0.00 178.44 177.65 1z2m h LYS 29 N -0.50 0.50 -0.06 1.25 1.57 -0.79 0.22 116.57 118.75 1z2m h LYS 29 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1z2m h LYS 29 Cb 0.46 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1z2m h LYS 29 CO -0.04 0.33 -0.17 0.00 -0.57 0.00 0.00 179.45 178.99 1z2m h ALA 30 N 1.76 1.60 -0.11 3.86 0.00 -0.35 -0.26 119.26 125.76 1z2m h ALA 30 Ca 0.15 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1z2m h ALA 30 Cb -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1z2m h ALA 30 CO -0.03 0.29 -0.47 1.96 0.00 0.00 0.00 179.25 181.00 1z2m h GLN 31 N 0.09 0.51 -0.31 0.00 1.08 -0.20 -1.91 115.11 114.37 1z2m h GLN 31 Ca 0.02 -0.40 0.03 0.00 -1.45 0.00 0.00 58.65 56.85 1z2m h GLN 31 Cb 0.36 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 1z2m h GLN 31 CO 0.02 1.03 0.11 0.82 -0.95 0.00 0.00 178.83 179.87 1z2m h ILE 32 N 0.11 0.92 -0.90 2.54 1.08 -0.75 -0.08 117.51 120.44 1z2m h ILE 32 Ca -0.03 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1z2m h ILE 32 Cb 1.11 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 35.46 1z2m h ILE 32 CO 0.10 0.05 0.59 0.74 -0.69 0.00 0.00 178.15 178.94 1z2m h THR 33 N 0.25 1.22 -0.90 -0.27 2.02 -1.07 0.97 112.91 115.12 1z2m h THR 33 Ca 0.14 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1z2m h THR 33 Cb 0.11 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.38 1z2m h THR 33 CO -0.14 0.22 0.57 1.56 0.37 0.00 0.00 175.52 178.10 1z2m h GLN 34 N 1.20 1.21 0.04 6.66 1.08 -0.38 0.48 115.11 125.40 1z2m h GLN 34 Ca 0.33 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.36 1z2m h GLN 34 Cb -0.12 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.05 1z2m h GLN 34 CO -0.08 0.82 -0.38 -0.22 -0.95 0.00 0.00 178.83 178.03 1z2m h LYS 35 N 1.24 0.08 -0.03 1.46 1.63 0.02 -3.40 116.57 117.57 1z2m h LYS 35 Ca 0.33 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1z2m h LYS 35 Cb -0.10 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1z2m h LYS 35 CO -0.07 1.07 0.00 0.44 -3.45 0.00 0.00 179.45 177.44 1z2m n ILE 36 N -4.44 0.12 -1.85 2.00 -5.35 0.23 -5.02 119.36 105.05 1z2m n ILE 36 Ca -0.14 -0.56 -0.14 0.00 -0.27 0.00 0.00 62.75 61.64 1z2m n ILE 36 Cb 0.60 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.52 1z2m n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1z2m n GLY 37 N 0.32 0.62 3.82 3.28 0.00 0.17 -5.00 105.19 108.40 1z2m n GLY 37 Ca 0.04 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1z2m n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z2m s VAL 38 N -2.63 5.29 0.60 1.61 1.01 -1.26 -4.99 120.40 120.02 1z2m s VAL 38 Ca 0.00 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.29 1z2m s VAL 38 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1z2m s VAL 38 CO 0.00 0.55 1.25 -1.00 0.00 0.00 0.00 175.10 175.90 1z2m s HIS 39 N -0.65 2.30 0.18 5.22 3.76 -1.26 -4.04 115.29 120.80 1z2m s HIS 39 Ca 0.18 1.49 -0.14 0.00 -0.15 0.00 0.00 55.06 56.43 1z2m s HIS 39 Cb -0.14 -3.59 0.16 0.00 1.11 0.00 0.00 32.58 30.12 1z2m s HIS 39 CO 0.07 -2.50 1.70 0.00 -0.85 0.00 0.00 174.74 173.15 1z2m h ALA 40 N 0.93 0.44 0.00 -1.40 0.00 -1.97 -1.12 119.26 116.15 1z2m h ALA 40 Ca -0.51 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1z2m h ALA 40 Cb 1.31 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1z2m h ALA 40 CO 0.55 -0.37 0.00 1.97 0.00 0.00 0.00 179.25 181.40 1z2m n PHE 41 N -5.19 0.17 1.08 0.00 1.16 -1.26 -1.03 117.46 112.37 1z2m n PHE 41 Ca 0.04 0.08 0.12 0.00 -1.87 0.00 0.00 57.45 55.82 1z2m n PHE 41 Cb 0.24 -0.62 0.13 0.00 -1.61 0.00 0.00 39.48 37.62 1z2m n PHE 41 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1z2m n GLN 42 N -1.66 1.65 -3.24 3.97 6.02 -0.43 -4.93 117.38 118.75 1z2m n GLN 42 Ca 0.01 -1.30 -0.39 0.00 -0.01 0.00 0.00 57.00 55.32 1z2m n GLN 42 Cb 0.09 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 1z2m n GLN 42 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1z2m s GLN 43 N -2.25 4.29 -0.20 -1.09 -0.21 -0.20 -0.77 119.66 119.23 1z2m s GLN 43 Ca 0.25 0.68 0.01 0.00 0.02 0.00 0.00 55.36 56.32 1z2m s GLN 43 Cb 0.19 -3.35 0.03 0.00 1.00 0.00 0.00 33.01 30.88 1z2m s GLN 43 CO 0.44 0.36 -0.17 1.03 -2.12 0.00 0.00 175.29 174.83 1z2m s ARG 44 N -0.14 2.86 0.04 2.91 1.81 -0.43 -4.99 118.95 121.01 1z2m s ARG 44 Ca 0.30 -0.92 0.08 0.00 -1.72 0.00 0.00 55.73 53.46 1z2m s ARG 44 Cb -0.18 -2.66 -0.03 0.00 -0.45 0.00 0.00 34.95 31.64 1z2m s ARG 44 CO 0.16 -0.28 -0.22 -0.51 -0.68 0.00 0.00 175.30 173.77 1z2m s LEU 45 N 1.26 2.16 0.03 2.53 1.43 -1.26 -1.43 118.68 123.40 1z2m s LEU 45 Ca 0.02 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1z2m s LEU 45 Cb -0.14 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 1z2m s LEU 45 CO -0.11 0.19 0.01 0.00 0.23 0.00 0.00 176.35 176.67 1z2m s ALA 46 N -0.79 0.11 0.25 4.21 0.00 -0.82 -2.96 121.76 121.76 1z2m s ALA 46 Ca 0.09 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.15 1z2m s ALA 46 Cb -0.09 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1z2m s ALA 46 CO 0.02 -0.22 0.87 0.08 0.00 0.00 0.00 175.76 176.50 1z2m s VAL 47 N -2.01 4.28 -0.12 0.00 1.01 0.59 -0.19 120.40 123.96 1z2m s VAL 47 Ca -0.11 1.76 0.01 0.00 0.00 0.00 0.00 61.98 63.64 1z2m s VAL 47 Cb -0.06 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1z2m s VAL 47 CO -0.03 0.31 -0.13 -2.28 0.00 0.00 0.00 175.10 172.97 1z2m s HIS 48 N -1.40 2.79 -2.37 5.22 5.04 -0.47 -0.18 115.29 123.92 1z2m s HIS 48 Ca 0.44 -0.57 0.22 0.00 -1.54 0.00 0.00 55.06 53.61 1z2m s HIS 48 Cb -0.21 -1.80 0.50 0.00 0.04 0.00 0.00 32.58 31.11 1z2m s HIS 48 CO 0.26 -0.15 1.44 -0.35 -2.34 0.00 0.00 174.74 173.60 1z2m n PRO 49 N 3.31 2.38 -0.34 2.88 -0.04 -1.26 -4.32 135.00 137.61 1z2m n PRO 49 Ca -0.18 -2.10 0.29 0.00 -0.04 0.00 0.00 63.50 61.47 1z2m n PRO 49 Cb 0.53 -1.49 0.60 0.00 -0.04 0.00 0.00 33.50 33.10 1z2m n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1z2m h SER 50 N 4.00 0.28 -0.20 3.54 4.64 -1.96 -3.44 113.55 120.41 1z2m h SER 50 Ca 0.00 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1z2m h SER 50 Cb 0.89 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1z2m h SER 50 CO 0.00 0.02 -0.06 0.61 -0.87 0.00 0.00 176.83 176.53 1z2m n GLY 51 N -1.57 0.58 3.50 -0.77 0.00 0.75 -5.02 105.19 102.67 1z2m n GLY 51 Ca 0.27 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1z2m n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z2m s VAL 52 N -2.13 3.23 0.69 1.61 1.01 -1.24 -4.83 120.40 118.74 1z2m s VAL 52 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1z2m s VAL 52 Cb 0.00 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1z2m s VAL 52 CO 0.00 0.59 1.25 0.00 0.00 0.00 0.00 175.10 176.94 1z2m n ALA 53 N 2.26 0.77 -1.62 5.51 0.00 -1.26 -0.30 120.51 125.88 1z2m n ALA 53 Ca -0.17 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 1z2m n ALA 53 Cb 0.52 -2.29 0.03 0.00 0.00 0.00 0.00 19.45 17.71 1z2m n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1z2m s LEU 54 N -4.55 3.35 -0.35 0.00 1.43 -1.16 -4.78 118.68 112.62 1z2m s LEU 54 Ca 0.80 1.74 -0.14 0.00 -1.03 0.00 0.00 54.13 55.50 1z2m s LEU 54 Cb -0.36 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.33 1z2m s LEU 54 CO 0.43 -1.30 0.32 -1.10 0.23 0.00 0.00 176.35 174.93 1z2m s GLN 55 N -4.46 3.49 0.30 1.70 -1.52 -1.26 -4.95 119.66 112.96 1z2m s GLN 55 Ca 0.61 -0.54 0.23 0.00 -1.95 0.00 0.00 55.36 53.72 1z2m s GLN 55 Cb -0.15 -3.82 1.11 0.00 -0.22 0.00 0.00 33.01 29.93 1z2m s GLN 55 CO 0.44 -0.52 1.70 -0.25 -0.25 0.00 0.00 175.29 176.42 1z2m n ASP 56 N 5.28 0.64 -0.10 5.90 9.92 -1.26 -2.68 116.55 134.25 1z2m n ASP 56 Ca -0.10 0.73 -0.14 0.00 -0.53 0.00 0.00 54.79 54.74 1z2m n ASP 56 Cb 0.49 -0.84 -0.10 0.00 -0.64 0.00 0.00 41.12 40.03 1z2m n ASP 56 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1z2m n ARG 57 N -2.28 0.61 -2.34 -1.24 5.12 -1.26 -4.78 116.66 110.49 1z2m n ARG 57 Ca 0.00 0.11 -0.41 0.00 -1.93 0.00 0.00 57.85 55.62 1z2m n ARG 57 Cb 0.13 -1.42 -0.03 0.00 -1.16 0.00 0.00 32.46 29.97 1z2m n ARG 57 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1z2m s VAL 58 N -2.42 3.44 0.68 1.55 1.01 -1.09 -5.00 120.40 118.57 1z2m s VAL 58 Ca -0.26 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 1z2m s VAL 58 Cb 0.07 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1z2m s VAL 58 CO 0.51 0.21 1.20 -2.84 0.00 0.00 0.00 175.10 174.18 1z2m s PRO 59 N -0.39 2.45 0.32 2.72 0.02 -1.26 -4.65 135.00 134.21 1z2m s PRO 59 Ca 0.53 1.76 0.02 0.00 0.02 0.00 0.00 61.00 63.33 1z2m s PRO 59 Cb -0.34 -1.87 0.58 0.00 0.02 0.00 0.00 34.50 32.89 1z2m s PRO 59 CO 0.38 -1.60 1.95 -0.07 -0.33 0.00 0.00 177.00 177.33 1z2m h LEU 60 N 0.10 0.83 0.66 -5.54 4.07 -1.89 -3.05 115.31 110.49 1z2m h LEU 60 Ca -0.49 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.44 1z2m h LEU 60 Cb 1.29 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 1z2m h LEU 60 CO 0.52 0.56 -0.42 0.00 -1.08 0.00 0.00 178.44 178.01 1z2m h ALA 61 N 1.54 -1.21 0.00 1.53 0.00 -1.81 -2.33 119.26 116.98 1z2m h ALA 61 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1z2m h ALA 61 Cb 0.10 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1z2m h ALA 61 CO -0.10 -1.18 0.00 -1.13 0.00 0.00 0.00 179.25 176.84 1z2m n SER 62 N -5.09 2.94 -0.10 0.00 3.41 -1.17 -2.90 113.62 110.72 1z2m n SER 62 Ca -0.12 -1.84 0.02 0.00 -0.26 0.00 0.00 58.87 56.67 1z2m n SER 62 Cb 0.43 -0.52 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 1z2m n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1z2m n GLN 63 N 0.69 1.34 -1.41 4.33 6.02 -0.91 -4.84 117.38 122.59 1z2m n GLN 63 Ca 0.00 -1.42 -0.02 0.00 -0.01 0.00 0.00 57.00 55.55 1z2m n GLN 63 Cb 0.44 -0.91 -0.01 0.00 1.02 0.00 0.00 30.24 30.79 1z2m n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1z2m n GLY 64 N -0.51 0.45 3.14 1.08 0.00 -1.14 -5.04 105.19 103.16 1z2m n GLY 64 Ca 0.04 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 1z2m n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1z2m s LEU 65 N -0.51 1.96 0.00 0.99 1.43 -1.01 -5.02 118.68 116.52 1z2m s LEU 65 Ca 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1z2m s LEU 65 Cb 0.00 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.32 1z2m s LEU 65 CO 0.00 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1z2m n GLY 66 N 2.93 3.32 3.73 -3.19 0.00 -1.26 -3.72 105.19 107.00 1z2m n GLY 66 Ca -0.17 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1z2m n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1z2m s PRO 67 N 1.27 4.32 0.00 1.61 0.04 -1.26 -2.60 135.00 138.38 1z2m s PRO 67 Ca 0.00 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1z2m s PRO 67 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1z2m s PRO 67 CO 0.00 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1z2m n GLY 68 N 3.06 1.19 3.79 0.56 0.00 -0.22 -5.00 105.19 108.57 1z2m n GLY 68 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1z2m n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1z2m s SER 69 N -2.99 5.01 -0.03 1.61 0.01 -1.07 -4.78 113.70 111.45 1z2m s SER 69 Ca 0.00 1.73 0.07 0.00 1.31 0.00 0.00 55.95 59.06 1z2m s SER 69 Cb 0.00 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1z2m s SER 69 CO 0.00 -1.70 -0.25 -0.89 0.41 0.00 0.00 173.24 170.82 1z2m s THR 70 N -2.93 1.97 0.09 1.44 2.01 -1.26 -1.67 115.64 115.29 1z2m s THR 70 Ca 0.60 -1.05 0.08 0.00 0.31 0.00 0.00 61.69 61.63 1z2m s THR 70 Cb -0.16 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1z2m s THR 70 CO 0.54 0.55 -0.21 0.68 -0.69 0.00 0.00 174.62 175.50 1z2m s VAL 71 N -0.45 1.72 -0.12 3.82 -7.23 -0.77 -1.36 120.40 116.01 1z2m s VAL 71 Ca 0.06 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 1z2m s VAL 71 Cb -0.11 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1z2m s VAL 71 CO 0.00 -0.02 0.19 -0.76 -0.31 0.00 0.00 175.10 174.20 1z2m s LEU 72 N -1.81 4.37 -0.06 1.32 1.43 0.73 -1.10 118.68 123.56 1z2m s LEU 72 Ca 0.07 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 1z2m s LEU 72 Cb -0.10 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1z2m s LEU 72 CO 0.04 0.35 -0.13 -0.22 0.23 0.00 0.00 176.35 176.61 1z2m s LEU 73 N -0.75 1.72 -0.05 1.79 2.96 0.04 -1.95 118.68 122.43 1z2m s LEU 73 Ca 0.15 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1z2m s LEU 73 Cb -0.13 -0.86 0.01 0.00 0.50 0.00 0.00 46.19 45.71 1z2m s LEU 73 CO 0.04 0.06 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.32 1z2m s VAL 74 N 0.51 1.15 -0.08 1.68 1.01 -0.51 -3.32 120.40 120.84 1z2m s VAL 74 Ca -0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1z2m s VAL 74 Cb -0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1z2m s VAL 74 CO 0.04 0.35 0.14 -0.69 0.00 0.00 0.00 175.10 174.93 1z2m s VAL 75 N 0.40 5.36 -0.33 2.92 1.01 -1.26 -1.31 120.40 127.19 1z2m s VAL 75 Ca -0.10 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 1z2m s VAL 75 Cb -0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1z2m s VAL 75 CO 0.03 0.51 0.35 -0.62 0.00 0.00 0.00 175.10 175.37 1z2m s ASP 76 N -1.33 6.17 -0.16 3.32 3.68 0.05 -4.97 116.67 123.43 1z2m s ASP 76 Ca 0.19 -0.16 -0.25 0.00 2.13 0.00 0.00 52.55 54.46 1z2m s ASP 76 Cb -0.12 -2.19 -0.24 0.00 -1.45 0.00 0.00 42.92 38.92 1z2m s ASP 76 CO 0.09 -0.30 0.54 0.11 0.13 0.00 0.00 175.17 175.75 1z2m h LYS 77 N 8.42 0.02 -3.40 4.34 1.79 -1.98 -3.46 116.57 122.30 1z2m h LYS 77 Ca -0.30 -0.04 -0.39 0.00 -2.18 0.00 0.00 60.65 57.73 1z2m h LYS 77 Cb 1.15 0.02 0.06 0.00 -1.58 0.00 0.00 32.23 31.87 1z2m h LYS 77 CO 0.68 1.02 -0.24 -1.13 -1.08 0.00 0.00 179.45 178.70 1z2m n SER 78 N -4.48 -0.58 -2.68 0.86 3.41 -1.26 -4.93 113.62 103.96 1z2m n SER 78 Ca -0.20 0.64 -0.08 0.00 -0.26 0.00 0.00 58.87 58.98 1z2m n SER 78 Cb 0.60 -0.54 0.07 0.00 -0.26 0.00 0.00 64.21 64.08 1z2m n SER 78 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1z2m n ASP 79 N 1.08 -0.18 -4.77 4.04 4.64 -1.26 -5.05 116.55 115.06 1z2m n ASP 79 Ca 0.10 -2.59 -0.39 0.00 -1.38 0.00 0.00 54.79 50.54 1z2m n ASP 79 Cb 0.12 0.22 -0.03 0.00 -1.04 0.00 0.00 41.12 40.39 1z2m n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1z2m s GLU 80 N -1.52 4.38 0.58 -0.67 0.41 -1.26 -4.86 118.70 115.76 1z2m s GLU 80 Ca 0.25 1.83 -0.18 0.00 -0.41 0.00 0.00 54.97 56.46 1z2m s GLU 80 Cb 0.43 -2.94 -0.04 0.00 -1.78 0.00 0.00 34.13 29.80 1z2m s GLU 80 CO -0.02 -0.04 1.12 -1.25 -0.49 0.00 0.00 175.26 174.58 1z2m s PRO 81 N -1.87 3.20 0.11 0.39 0.04 -1.26 -4.64 135.00 130.97 1z2m s PRO 81 Ca 0.50 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 1z2m s PRO 81 Cb -0.31 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1z2m s PRO 81 CO 0.40 -0.96 0.14 -0.48 0.04 0.00 0.00 177.00 176.15 1z2m s LEU 82 N -4.15 1.58 -0.18 -3.56 2.34 -0.22 -4.96 118.68 109.52 1z2m s LEU 82 Ca 0.70 -0.91 -0.06 0.00 0.06 0.00 0.00 54.13 53.92 1z2m s LEU 82 Cb -0.22 0.75 -0.03 0.00 -0.56 0.00 0.00 46.19 46.12 1z2m s LEU 82 CO 0.32 -0.75 0.03 -0.44 -1.06 0.00 0.00 176.35 174.44 1z2m s SER 83 N -2.95 5.25 0.37 1.48 0.01 -1.26 -0.96 113.70 115.64 1z2m s SER 83 Ca 0.13 -0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.41 1z2m s SER 83 Cb 0.06 -1.89 -0.07 0.00 0.21 0.00 0.00 66.02 64.32 1z2m s SER 83 CO -0.05 0.14 0.01 0.27 0.41 0.00 0.00 173.24 174.02 1z2m s ILE 84 N 0.57 1.76 0.09 1.44 -0.00 -0.14 -0.05 121.20 124.87 1z2m s ILE 84 Ca 0.01 -2.03 0.06 0.00 -0.00 0.00 0.00 60.65 58.69 1z2m s ILE 84 Cb -0.13 -2.86 -0.04 0.00 -0.00 0.00 0.00 42.46 39.42 1z2m s ILE 84 CO 0.02 -0.04 -0.08 -0.76 -0.00 0.00 0.00 174.94 174.07 1z2m s LEU 85 N -3.61 3.12 -0.10 0.37 1.43 0.59 -0.97 118.68 119.51 1z2m s LEU 85 Ca 0.35 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1z2m s LEU 85 Cb 0.08 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1z2m s LEU 85 CO 0.17 0.19 -0.03 -0.69 0.23 0.00 0.00 176.35 176.22 1z2m s VAL 86 N -1.20 0.72 -0.20 -1.59 1.01 -0.82 -1.11 120.40 117.22 1z2m s VAL 86 Ca 0.21 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1z2m s VAL 86 Cb -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1z2m s VAL 86 CO 0.13 0.28 0.43 -0.60 0.00 0.00 0.00 175.10 175.34 1z2m s ARG 87 N 1.83 4.19 0.87 2.72 3.52 -0.27 -1.48 118.95 130.32 1z2m s ARG 87 Ca 0.04 0.26 -0.10 0.00 -0.13 0.00 0.00 55.73 55.80 1z2m s ARG 87 Cb -0.13 -3.53 0.17 0.00 -1.56 0.00 0.00 34.95 29.90 1z2m s ARG 87 CO -0.07 -0.04 1.20 0.54 -0.81 0.00 0.00 175.30 176.11 1z2m s ASN 88 N 1.03 3.60 0.27 -2.12 2.20 0.26 -1.73 114.94 118.45 1z2m s ASN 88 Ca 0.20 0.03 -0.05 0.00 -0.94 0.00 0.00 52.86 52.10 1z2m s ASN 88 Cb -0.15 -0.20 0.52 0.00 -2.00 0.00 0.00 41.25 39.42 1z2m s ASN 88 CO 0.08 -2.39 1.60 -1.13 -2.94 0.00 0.00 177.10 172.32 1z2m h ASN 89 N -1.21 -0.51 0.70 3.54 -1.24 -1.88 0.33 115.58 115.30 1z2m h ASN 89 Ca -0.41 0.24 0.00 0.00 0.71 0.00 0.00 56.30 56.84 1z2m h ASN 89 Cb 1.25 0.44 0.00 0.00 0.73 0.00 0.00 38.32 40.74 1z2m h ASN 89 CO 0.39 -0.26 0.00 0.29 -1.29 0.00 0.00 177.43 176.56 1z2m n LYS 90 N -5.45 0.03 0.00 6.67 4.76 -1.26 -4.88 118.16 118.03 1z2m n LYS 90 Ca 0.17 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1z2m n LYS 90 Cb 0.56 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1z2m n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1z2m n GLY 91 N 0.46 0.26 3.71 0.72 0.00 0.11 -5.06 105.19 105.39 1z2m n GLY 91 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1z2m n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1z2m s ARG 92 N -0.99 4.57 0.15 1.61 1.81 -1.26 -4.67 118.95 120.17 1z2m s ARG 92 Ca 0.00 1.46 0.03 0.00 -1.72 0.00 0.00 55.73 55.50 1z2m s ARG 92 Cb 0.00 -3.43 -0.04 0.00 -0.45 0.00 0.00 34.95 31.03 1z2m s ARG 92 CO 0.00 -0.02 0.26 -1.54 -0.68 0.00 0.00 175.30 173.32 1z2m s SER 93 N 0.82 6.23 0.05 0.23 1.04 -1.26 -0.57 113.70 120.23 1z2m s SER 93 Ca 0.52 0.13 0.03 0.00 0.48 0.00 0.00 55.95 57.10 1z2m s SER 93 Cb -0.22 -1.84 -0.02 0.00 0.10 0.00 0.00 66.02 64.03 1z2m s SER 93 CO 0.29 0.05 -0.09 -0.44 0.98 0.00 0.00 173.24 174.03 1z2m s SER 94 N -3.22 1.03 -0.01 7.02 0.01 -0.55 -4.91 113.70 113.06 1z2m s SER 94 Ca 0.34 -0.54 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 1z2m s SER 94 Cb -0.11 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 1z2m s SER 94 CO 0.28 -0.16 0.58 -0.89 0.41 0.00 0.00 173.24 173.46 1z2m s THR 95 N -1.28 4.92 -0.02 1.44 2.01 -1.26 -1.94 115.64 119.50 1z2m s THR 95 Ca -0.07 1.22 0.05 0.00 0.31 0.00 0.00 61.69 63.20 1z2m s THR 95 Cb -0.10 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1z2m s THR 95 CO 0.01 0.42 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.88 1z2m s TYR 96 N -0.20 1.58 -0.24 4.92 1.51 -0.14 -4.97 117.35 119.81 1z2m s TYR 96 Ca 0.31 -0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 55.87 1z2m s TYR 96 Cb -0.18 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1z2m s TYR 96 CO 0.17 -0.08 0.33 -2.00 -1.11 0.00 0.00 175.55 172.86 1z2m s GLU 97 N -0.23 4.08 0.27 -0.62 2.12 -1.26 -0.97 118.70 122.10 1z2m s GLU 97 Ca 0.03 0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.39 1z2m s GLU 97 Cb -0.08 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1z2m s GLU 97 CO 0.00 -0.11 0.15 0.14 -0.54 0.00 0.00 175.26 174.91 1z2m s VAL 98 N 1.56 0.24 0.07 3.70 -7.23 -0.14 -4.95 120.40 113.65 1z2m s VAL 98 Ca 0.14 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.41 1z2m s VAL 98 Cb -0.15 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1z2m s VAL 98 CO 0.08 0.00 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.49 1z2m s ARG 99 N -3.90 1.54 0.19 4.82 1.81 -1.26 -1.06 118.95 121.08 1z2m s ARG 99 Ca 0.37 -1.15 0.20 0.00 -1.72 0.00 0.00 55.73 53.44 1z2m s ARG 99 Cb 0.06 -1.80 0.87 0.00 -0.45 0.00 0.00 34.95 33.63 1z2m s ARG 99 CO 0.17 0.45 1.62 1.28 -0.68 0.00 0.00 175.30 178.13 1z2m n LEU 100 N 1.48 0.47 0.01 2.53 4.77 -1.26 -2.51 117.00 122.48 1z2m n LEU 100 Ca -0.18 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 1z2m n LEU 100 Cb 0.53 -0.58 0.25 0.00 -2.33 0.00 0.00 43.42 41.29 1z2m n LEU 100 CO 0.23 -0.52 0.45 0.35 -1.33 0.00 0.00 177.39 176.57 1z2m n THR 101 N -2.03 0.05 -1.92 -5.08 -2.24 -1.26 0.15 114.28 101.95 1z2m n THR 101 Ca 0.02 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1z2m n THR 101 Cb 0.19 0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.59 1z2m n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1z2m s GLN 102 N -3.03 3.37 0.52 -0.78 -2.07 -1.04 -4.73 119.66 111.89 1z2m s GLN 102 Ca 0.10 0.99 -0.06 0.00 -1.82 0.00 0.00 55.36 54.57 1z2m s GLN 102 Cb 0.17 -2.05 -0.03 0.00 -1.09 0.00 0.00 33.01 30.01 1z2m s GLN 102 CO 0.70 -0.76 0.84 0.95 -1.32 0.00 0.00 175.29 175.70 1z2m s THR 103 N -2.81 4.74 0.21 3.63 -4.23 -1.26 -0.81 115.64 115.10 1z2m s THR 103 Ca 0.59 0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 61.31 1z2m s THR 103 Cb -0.13 -3.82 0.15 0.00 1.34 0.00 0.00 72.50 70.03 1z2m s THR 103 CO 0.45 -0.86 1.85 0.58 -0.54 0.00 0.00 174.62 176.10 1z2m h VAL 104 N 0.08 1.11 -0.96 2.29 2.07 -0.99 -1.86 116.25 118.00 1z2m h VAL 104 Ca -0.46 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 66.83 1z2m h VAL 104 Cb 1.21 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 1z2m h VAL 104 CO 0.62 0.16 0.62 0.00 0.02 0.00 0.00 177.57 178.99 1z2m h ALA 105 N 1.30 1.48 -0.48 1.67 0.00 -1.28 -0.00 119.26 121.95 1z2m h ALA 105 Ca 0.28 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1z2m h ALA 105 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1z2m h ALA 105 CO -0.10 0.36 0.04 1.25 0.00 0.00 0.00 179.25 180.80 1z2m h HIS 106 N 1.07 0.87 -0.40 0.00 -0.00 -1.62 -1.94 115.15 113.13 1z2m h HIS 106 Ca 0.42 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 1z2m h HIS 106 Cb 0.24 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 1z2m h HIS 106 CO -0.00 0.82 0.21 1.25 -0.00 0.00 0.00 177.93 180.21 1z2m h LEU 107 N 0.68 0.51 -0.68 0.26 6.46 -0.69 -2.10 115.31 119.74 1z2m h LEU 107 Ca 0.14 -0.11 0.08 0.00 -0.12 0.00 0.00 57.88 57.87 1z2m h LEU 107 Cb 0.44 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.18 1z2m h LEU 107 CO 0.02 0.48 0.35 0.11 -0.62 0.00 0.00 178.44 178.77 1z2m h LYS 108 N 0.51 0.59 -0.65 1.25 1.57 -0.79 0.16 116.57 119.21 1z2m h LYS 108 Ca 0.14 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1z2m h LYS 108 Cb 0.09 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1z2m h LYS 108 CO -0.02 0.39 0.41 0.37 -0.57 0.00 0.00 179.45 180.03 1z2m h GLN 109 N 0.61 0.79 -0.10 3.15 5.75 -0.91 0.57 115.11 124.98 1z2m h GLN 109 Ca 0.32 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.77 1z2m h GLN 109 Cb 0.30 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.67 1z2m h GLN 109 CO -0.24 0.52 0.04 1.96 -2.65 0.00 0.00 178.83 178.46 1z2m h GLN 110 N 0.82 0.14 0.10 1.69 4.20 -0.55 -0.22 115.11 121.29 1z2m h GLN 110 Ca 0.26 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.96 1z2m h GLN 110 Cb -0.01 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1z2m h GLN 110 CO -0.09 0.26 -0.18 0.28 -0.67 0.00 0.00 178.83 178.42 1z2m h VAL 111 N -0.01 0.58 -0.30 -0.54 2.07 -0.20 -1.81 116.25 116.05 1z2m h VAL 111 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1z2m h VAL 111 Cb 0.17 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 1z2m h VAL 111 CO -0.00 0.00 -0.35 -1.28 0.02 0.00 0.00 177.57 175.96 1z2m h SER 112 N -0.35 -1.13 -0.59 0.57 0.87 0.31 0.24 113.55 113.47 1z2m h SER 112 Ca 0.03 0.18 0.12 0.00 -1.23 0.00 0.00 61.79 60.88 1z2m h SER 112 Cb 0.37 0.50 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1z2m h SER 112 CO -0.11 -0.35 0.40 1.23 -0.53 0.00 0.00 176.83 177.48 1z2m h GLY 113 N -0.33 0.45 1.39 5.77 0.00 -0.69 0.19 103.07 109.86 1z2m h GLY 113 Ca 0.14 -0.13 -0.28 0.00 0.00 0.00 0.00 47.33 47.06 1z2m h GLY 113 CO -0.48 0.07 -1.42 -2.00 0.00 0.00 0.00 176.54 172.71 1z2m h LEU 114 N 0.30 0.19 -1.26 3.11 6.46 -0.16 -3.33 115.31 120.62 1z2m h LEU 114 Ca 0.28 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1z2m h LEU 114 Cb 0.69 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1z2m h LEU 114 CO -0.07 1.22 -0.10 1.21 -0.62 0.00 0.00 178.44 180.08 1z2m n GLU 115 N -3.33 1.73 -2.53 1.25 4.07 0.65 -4.95 120.64 117.54 1z2m n GLU 115 Ca -0.12 -1.26 -0.20 0.00 -0.06 0.00 0.00 57.16 55.53 1z2m n GLU 115 Cb 1.02 -1.47 -0.00 0.00 -0.06 0.00 0.00 31.44 30.92 1z2m n GLU 115 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1z2m n GLY 116 N 1.29 -0.50 3.15 8.31 0.00 0.63 -4.97 105.19 113.10 1z2m n GLY 116 Ca 0.15 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1z2m n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z2m s VAL 117 N -2.98 1.88 0.13 1.61 1.01 -1.11 -5.06 120.40 115.88 1z2m s VAL 117 Ca 0.06 -0.89 -0.35 0.00 0.00 0.00 0.00 61.98 60.80 1z2m s VAL 117 Cb -0.03 -1.66 -0.16 0.00 0.00 0.00 0.00 36.38 34.53 1z2m s VAL 117 CO 0.07 0.52 1.37 1.67 0.00 0.00 0.00 175.10 178.73 1z2m n GLN 118 N 3.90 1.44 0.15 2.72 -0.06 -1.26 -4.40 117.38 119.86 1z2m n GLN 118 Ca -0.20 0.52 0.17 0.00 -2.00 0.00 0.00 57.00 55.49 1z2m n GLN 118 Cb 0.52 -2.17 0.75 0.00 -4.06 0.00 0.00 30.24 25.28 1z2m n GLN 118 CO 0.00 0.00 0.00 0.38 -0.20 0.00 0.00 177.06 177.24 1z2m h ASP 119 N 4.68 0.00 0.25 1.69 2.03 -1.93 -1.42 116.42 121.73 1z2m h ASP 119 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1z2m h ASP 119 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1z2m h ASP 119 CO 0.79 0.00 -0.01 -0.90 -1.03 0.00 0.00 179.24 178.09 1z2m n ASP 120 N -4.12 0.09 -1.27 4.15 5.68 -1.26 -3.44 116.55 116.37 1z2m n ASP 120 Ca 0.04 -0.65 0.10 0.00 -0.50 0.00 0.00 54.79 53.77 1z2m n ASP 120 Cb 0.38 -0.12 0.30 0.00 -1.14 0.00 0.00 41.12 40.54 1z2m n ASP 120 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1z2m n LEU 121 N -1.07 3.72 -3.63 -2.12 4.77 -0.54 -4.96 117.00 113.17 1z2m n LEU 121 Ca 0.19 -1.87 -0.07 0.00 -0.03 0.00 0.00 56.01 54.23 1z2m n LEU 121 Cb 0.18 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1z2m n LEU 121 CO 0.20 0.81 0.59 0.72 -1.33 0.00 0.00 177.39 178.38 1z2m s PHE 122 N -1.37 -0.29 0.19 -1.77 -0.71 -1.22 -1.78 117.98 111.03 1z2m s PHE 122 Ca 0.44 0.03 0.01 0.00 -1.04 0.00 0.00 56.93 56.36 1z2m s PHE 122 Cb 0.25 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.62 1z2m s PHE 122 CO 0.27 -0.84 0.04 1.67 -1.34 0.00 0.00 175.22 175.02 1z2m s TRP 123 N -3.48 1.24 0.21 3.49 -2.14 -0.80 -4.95 118.94 112.52 1z2m s TRP 123 Ca 0.07 -1.12 0.08 0.00 2.66 0.00 0.00 56.10 57.80 1z2m s TRP 123 Cb -0.02 -0.71 -0.04 0.00 -3.10 0.00 0.00 33.47 29.60 1z2m s TRP 123 CO -0.03 -0.32 -0.02 -0.51 -2.66 0.00 0.00 176.95 173.42 1z2m s LEU 124 N -3.19 3.21 0.02 -4.66 1.43 -1.26 -1.09 118.68 113.14 1z2m s LEU 124 Ca 0.29 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1z2m s LEU 124 Cb 0.07 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 1z2m s LEU 124 CO 0.07 0.06 0.11 0.42 0.23 0.00 0.00 176.35 177.24 1z2m s THR 125 N -1.95 0.10 -0.02 5.49 -4.23 -0.49 -1.24 115.64 113.29 1z2m s THR 125 Ca 0.28 -0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1z2m s THR 125 Cb -0.08 -0.59 0.03 0.00 1.34 0.00 0.00 72.50 73.19 1z2m s THR 125 CO 0.18 -0.47 0.03 0.12 -0.54 0.00 0.00 174.62 173.94 1z2m s PHE 126 N -1.85 0.09 -1.56 3.99 5.36 0.33 -0.58 117.98 123.76 1z2m s PHE 126 Ca -0.11 0.11 -0.11 0.00 -0.96 0.00 0.00 56.93 55.86 1z2m s PHE 126 Cb -0.05 -0.29 0.09 0.00 -0.34 0.00 0.00 43.02 42.42 1z2m s PHE 126 CO -0.01 -0.11 0.71 0.39 -1.46 0.00 0.00 175.22 174.74 1z2m n GLU 127 N 4.26 -3.79 0.00 10.12 1.02 -1.26 -1.41 120.64 129.58 1z2m n GLU 127 Ca -0.26 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1z2m n GLU 127 Cb 0.50 -5.00 0.00 0.00 -0.02 0.00 0.00 31.44 26.92 1z2m n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1z2m n GLY 128 N -1.66 3.05 3.86 0.62 0.00 -1.26 -5.01 105.19 104.80 1z2m n GLY 128 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1z2m n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1z2m s LYS 129 N -0.11 3.61 0.65 1.61 -2.85 -0.50 -5.05 119.74 117.10 1z2m s LYS 129 Ca 0.00 0.07 -0.12 0.00 -1.00 0.00 0.00 55.97 54.92 1z2m s LYS 129 Cb 0.00 -3.20 -0.02 0.00 -2.06 0.00 0.00 37.83 32.55 1z2m s LYS 129 CO 0.00 0.75 1.04 -1.25 0.10 0.00 0.00 175.35 175.99 1z2m s PRO 130 N -1.06 3.28 -0.07 1.78 0.04 -1.26 -0.52 135.00 137.19 1z2m s PRO 130 Ca 0.18 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 1z2m s PRO 130 Cb -0.14 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1z2m s PRO 130 CO 0.08 -0.83 0.05 -0.51 0.04 0.00 0.00 177.00 175.83 1z2m s LEU 131 N -5.24 3.84 -0.18 -3.56 1.43 -0.38 -4.85 118.68 109.73 1z2m s LEU 131 Ca 0.57 0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.74 1z2m s LEU 131 Cb -0.13 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1z2m s LEU 131 CO 0.52 0.36 0.35 -1.61 0.23 0.00 0.00 176.35 176.20 1z2m s GLU 132 N -1.12 4.21 0.33 1.70 2.02 -1.26 -4.68 118.70 119.89 1z2m s GLU 132 Ca 0.16 0.14 0.10 0.00 0.02 0.00 0.00 54.97 55.39 1z2m s GLU 132 Cb -0.12 -3.49 0.98 0.00 0.10 0.00 0.00 34.13 31.60 1z2m s GLU 132 CO 0.05 0.08 1.63 -0.44 0.02 0.00 0.00 175.26 176.60 1z2m h ASP 133 N 7.10 0.20 1.42 -0.19 3.32 -1.98 -1.33 116.42 124.96 1z2m h ASP 133 Ca -0.38 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1z2m h ASP 133 Cb 1.16 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1z2m h ASP 133 CO 0.73 -0.22 0.00 1.56 -1.72 0.00 0.00 179.24 179.59 1z2m h GLN 134 N 0.19 0.00 -6.61 3.56 1.08 -1.95 -0.14 115.11 111.23 1z2m h GLN 134 Ca 0.68 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 57.37 1z2m h GLN 134 Cb 1.55 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.96 1z2m h GLN 134 CO -0.69 0.00 -0.02 -0.51 -0.95 0.00 0.00 178.83 176.66 1z2m s LEU 135 N -4.85 4.03 0.42 1.46 1.43 -0.50 -4.85 118.68 115.83 1z2m s LEU 135 Ca 0.09 0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 53.95 1z2m s LEU 135 Cb 0.11 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 1z2m s LEU 135 CO 0.57 -0.22 0.97 -2.16 0.23 0.00 0.00 176.35 175.75 1z2m s PRO 136 N -3.32 4.19 0.34 1.29 0.04 -1.26 -1.17 135.00 135.12 1z2m s PRO 136 Ca 0.49 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.81 1z2m s PRO 136 Cb -0.11 -2.26 0.77 0.00 0.04 0.00 0.00 34.50 32.94 1z2m s PRO 136 CO 0.26 -0.07 1.86 -0.07 0.04 0.00 0.00 177.00 179.01 1z2m h LEU 137 N 2.04 0.71 -2.57 -3.56 3.38 -0.77 -0.17 115.31 114.37 1z2m h LEU 137 Ca -0.49 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1z2m h LEU 137 Cb 1.19 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1z2m h LEU 137 CO 0.61 0.35 0.10 1.23 0.09 0.00 0.00 178.44 180.82 1z2m h GLY 138 N 0.75 0.00 2.00 0.83 0.00 -0.57 -1.39 103.07 104.68 1z2m h GLY 138 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1z2m h GLY 138 CO -0.23 0.00 0.00 -2.09 0.00 0.00 0.00 176.54 174.22 1z2m h GLU 139 N 0.00 0.00 -0.44 4.80 4.57 -1.26 -3.04 114.58 119.21 1z2m h GLU 139 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1z2m h GLU 139 Cb 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1z2m h GLU 139 CO 0.00 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.49 1z2m n TYR 140 N -2.81 1.05 -3.69 0.92 4.02 -0.52 -4.99 117.16 111.14 1z2m n TYR 140 Ca 0.01 -0.67 -0.25 0.00 -0.01 0.00 0.00 57.90 56.99 1z2m n TYR 140 Cb 0.27 -0.21 0.06 0.00 -0.02 0.00 0.00 39.34 39.44 1z2m n TYR 140 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1z2m n GLY 141 N 0.43 -0.48 3.76 2.72 0.00 -1.15 -4.96 105.19 105.51 1z2m n GLY 141 Ca 0.20 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 1z2m n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1z2m s LEU 142 N -7.11 4.53 0.39 0.99 1.43 -1.26 -5.05 118.68 112.59 1z2m s LEU 142 Ca 0.47 2.21 0.04 0.00 -1.03 0.00 0.00 54.13 55.82 1z2m s LEU 142 Cb -0.22 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 1z2m s LEU 142 CO 0.77 -0.13 0.06 -0.54 0.23 0.00 0.00 176.35 176.74 1z2m s LYS 143 N -1.51 1.85 0.25 1.70 1.02 -1.26 -5.00 119.74 116.80 1z2m s LYS 143 Ca 0.45 -2.09 -0.30 0.00 0.02 0.00 0.00 55.97 54.05 1z2m s LYS 143 Cb -0.30 -1.01 -0.14 0.00 -0.52 0.00 0.00 37.83 35.85 1z2m s LYS 143 CO 0.39 -0.27 1.23 -2.30 -0.92 0.00 0.00 175.35 173.48 1z2m n PRO 144 N -0.87 1.68 -1.52 -1.68 -0.02 -1.26 -1.17 135.00 130.16 1z2m n PRO 144 Ca -0.06 0.59 -0.18 0.00 -2.02 0.00 0.00 63.50 61.83 1z2m n PRO 144 Cb 0.66 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.93 1z2m n PRO 144 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1z2m n LEU 145 N 1.66 -1.21 -4.76 2.45 4.77 0.93 -4.96 117.00 115.89 1z2m n LEU 145 Ca 0.11 0.45 -0.35 0.00 -0.03 0.00 0.00 56.01 56.19 1z2m n LEU 145 Cb 0.31 -2.77 0.04 0.00 -2.33 0.00 0.00 43.42 38.67 1z2m n LEU 145 CO 0.62 -1.06 0.80 -0.44 -1.33 0.00 0.00 177.39 175.98 1z2m s SER 146 N -2.64 5.16 -0.19 -1.43 0.01 -0.31 -4.54 113.70 109.76 1z2m s SER 146 Ca 0.00 2.26 -0.03 0.00 1.31 0.00 0.00 55.95 59.49 1z2m s SER 146 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1z2m s SER 146 CO 0.00 -1.60 -0.06 -0.89 0.41 0.00 0.00 173.24 171.10 1z2m s THR 147 N -1.83 3.37 -0.11 1.44 2.01 -1.26 -0.30 115.64 118.97 1z2m s THR 147 Ca 0.74 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 1z2m s THR 147 Cb -0.27 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1z2m s THR 147 CO 0.35 0.45 0.01 -0.69 -0.69 0.00 0.00 174.62 174.04 1z2m s VAL 148 N 1.12 4.32 -0.08 3.82 1.01 -0.27 -4.71 120.40 125.61 1z2m s VAL 148 Ca 0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1z2m s VAL 148 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1z2m s VAL 148 CO -0.01 0.57 0.18 -0.36 0.00 0.00 0.00 175.10 175.48 1z2m s PHE 149 N -0.51 3.60 0.10 5.22 0.40 0.25 -1.11 117.98 125.94 1z2m s PHE 149 Ca 0.09 0.54 -0.15 0.00 -0.60 0.00 0.00 56.93 56.80 1z2m s PHE 149 Cb -0.12 -1.95 -0.07 0.00 0.51 0.00 0.00 43.02 41.40 1z2m s PHE 149 CO 0.02 0.71 0.52 1.41 0.70 0.00 0.00 175.22 178.58 1z2m s MET 150 N -1.25 4.01 -0.10 0.44 1.75 -0.71 -1.40 119.30 122.04 1z2m s MET 150 Ca 0.19 0.52 -0.01 0.00 -1.25 0.00 0.00 55.69 55.14 1z2m s MET 150 Cb -0.13 -3.05 0.03 0.00 2.84 0.00 0.00 34.83 34.52 1z2m s MET 150 CO 0.08 0.55 -0.05 -0.80 -0.65 0.00 0.00 175.02 174.15 1z2m s ASN 151 N -1.49 1.98 0.02 1.11 0.01 -0.25 -4.66 114.94 111.66 1z2m s ASN 151 Ca 0.33 -0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 51.95 1z2m s ASN 151 Cb -0.16 -0.72 -0.04 0.00 0.41 0.00 0.00 41.25 40.75 1z2m s ASN 151 CO 0.18 -0.14 0.99 -0.76 -1.51 0.00 0.00 177.10 175.86 1z2m s LEU 152 N 1.76 4.39 0.00 0.60 1.43 -1.26 -1.90 118.68 123.69 1z2m s LEU 152 Ca 0.04 1.70 -0.02 0.00 -1.03 0.00 0.00 54.13 54.82 1z2m s LEU 152 Cb -0.13 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.42 1z2m s LEU 152 CO -0.07 -0.24 2.47 0.54 0.23 0.00 0.00 176.35 179.28 1z2m n ARG 153 N 3.72 1.30 0.00 1.70 1.74 -0.73 -4.98 116.66 119.41 1z2m n ARG 153 Ca 0.06 -0.39 0.15 0.00 -0.77 0.00 0.00 57.85 56.90 1z2m n ARG 153 Cb 0.51 -1.44 0.78 0.00 -1.02 0.00 0.00 32.46 31.29 1z2m n ARG 153 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58