#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crl n SER 2 N 0.00 -1.67 -3.58 1.61 3.41 -1.26 -5.19 113.62 106.94 2crl n SER 2 Ca 0.00 -2.65 -0.14 0.00 -0.26 0.00 0.00 58.87 55.82 2crl n SER 2 Cb 0.00 2.93 -0.06 0.00 -0.26 0.00 0.00 64.21 66.81 2crl n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2crl s SER 3 N -2.99 -0.60 0.47 4.04 0.01 -1.26 -5.18 113.70 108.18 2crl s SER 3 Ca 0.22 0.90 0.05 0.00 1.31 0.00 0.00 55.95 58.43 2crl s SER 3 Cb -0.03 0.83 -0.03 0.00 0.21 0.00 0.00 66.02 67.00 2crl s SER 3 CO 0.16 -0.38 0.10 -0.83 0.41 0.00 0.00 173.24 172.70 2crl s GLY 4 N -0.48 2.63 0.05 3.44 0.00 -1.26 -5.15 107.32 106.56 2crl s GLY 4 Ca -0.04 -1.43 -0.27 0.00 0.00 0.00 0.00 44.72 42.99 2crl s GLY 4 CO 0.03 -2.07 1.19 -0.45 0.00 0.00 0.00 173.10 171.81 2crl s SER 5 N -3.90 -0.02 -0.19 1.64 0.15 -1.26 -5.11 113.70 105.01 2crl s SER 5 Ca 0.26 -0.34 -0.29 0.00 0.70 0.00 0.00 55.95 56.29 2crl s SER 5 Cb 0.04 0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 64.58 2crl s SER 5 CO 0.14 -0.54 2.02 -0.55 1.20 0.00 0.00 173.24 175.51 2crl s SER 6 N -3.44 5.83 -0.99 5.45 0.15 -1.26 -4.78 113.70 114.67 2crl s SER 6 Ca 0.22 1.90 -0.18 0.00 0.70 0.00 0.00 55.95 58.60 2crl s SER 6 Cb 0.00 -2.52 -0.29 0.00 -1.71 0.00 0.00 66.02 61.50 2crl s SER 6 CO 0.01 -1.66 2.37 0.61 1.20 0.00 0.00 173.24 175.77 2crl n GLY 7 N 5.33 -0.48 2.54 9.45 0.00 -1.26 -4.76 105.19 116.01 2crl n GLY 7 Ca 0.25 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.42 2crl n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2crl n MET 8 N 6.76 0.00 -2.44 1.61 0.00 -1.26 -4.94 117.12 116.84 2crl n MET 8 Ca 0.66 0.00 -0.24 0.00 -0.00 0.00 0.00 57.70 58.12 2crl n MET 8 Cb 0.11 -0.79 0.08 0.00 0.00 0.00 0.00 33.22 32.62 2crl n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2crl s ALA 9 N -1.58 3.49 -0.30 -5.12 0.00 -1.26 -5.12 121.76 111.88 2crl s ALA 9 Ca 0.43 -1.36 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 2crl s ALA 9 Cb -0.36 -2.25 0.18 0.00 0.00 0.00 0.00 23.12 20.69 2crl s ALA 9 CO 0.54 -1.30 1.12 -1.12 0.00 0.00 0.00 175.76 175.00 2crl s SER 10 N -4.60 -0.32 -1.46 0.00 0.01 -1.26 -4.97 113.70 101.09 2crl s SER 10 Ca 0.63 0.48 -0.11 0.00 1.31 0.00 0.00 55.95 58.26 2crl s SER 10 Cb -0.08 1.25 0.11 0.00 0.21 0.00 0.00 66.02 67.50 2crl s SER 10 CO 0.43 -0.07 0.27 0.47 0.41 0.00 0.00 173.24 174.75 2crl n ASP 11 N 4.03 -0.43 -4.52 2.44 8.00 -1.26 -4.86 116.55 119.95 2crl n ASP 11 Ca -0.13 -1.07 -0.40 0.00 0.71 0.00 0.00 54.79 53.89 2crl n ASP 11 Cb 0.56 -1.35 -0.11 0.00 -0.02 0.00 0.00 41.12 40.20 2crl n ASP 11 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2crl s SER 12 N -3.51 6.03 0.23 -2.24 0.15 -1.26 -5.05 113.70 108.04 2crl s SER 12 Ca 0.38 -0.47 -0.12 0.00 0.70 0.00 0.00 55.95 56.44 2crl s SER 12 Cb -0.22 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2crl s SER 12 CO 0.86 -0.25 0.42 -0.83 1.20 0.00 0.00 173.24 174.64 2crl s GLY 13 N 1.71 0.54 0.03 9.45 0.00 -1.26 -5.18 107.32 112.61 2crl s GLY 13 Ca 0.06 -0.89 -0.16 0.00 0.00 0.00 0.00 44.72 43.72 2crl s GLY 13 CO 0.10 -0.69 0.37 -1.31 0.00 0.00 0.00 173.10 171.57 2crl s ASN 14 N -3.01 -0.23 -1.06 1.64 0.01 -1.26 -5.09 114.94 105.94 2crl s ASN 14 Ca 0.22 -0.02 -0.19 0.00 -0.71 0.00 0.00 52.86 52.16 2crl s ASN 14 Cb 0.01 0.38 0.11 0.00 0.41 0.00 0.00 41.25 42.16 2crl s ASN 14 CO 0.07 -0.60 1.35 -1.10 -1.51 0.00 0.00 177.10 175.30 2crl s GLN 15 N -2.22 3.76 -0.46 -0.60 -1.52 -1.26 -4.96 119.66 112.40 2crl s GLN 15 Ca -0.07 -1.82 -0.26 0.00 -1.95 0.00 0.00 55.36 51.25 2crl s GLN 15 Cb -0.02 -5.13 -0.06 0.00 -0.22 0.00 0.00 33.01 27.58 2crl s GLN 15 CO -0.01 -1.94 2.34 0.20 -0.25 0.00 0.00 175.29 175.63 2crl s GLY 16 N 3.85 -0.24 -0.06 3.09 0.00 -1.26 -4.92 107.32 107.78 2crl s GLY 16 Ca 0.41 0.10 0.01 0.00 0.00 0.00 0.00 44.72 45.23 2crl s GLY 16 CO -0.05 4.04 -0.05 -1.08 0.00 0.00 0.00 173.10 175.95 2crl s THR 17 N 11.36 0.66 0.05 0.90 -1.32 -1.26 -5.14 115.64 120.89 2crl s THR 17 Ca 0.96 -0.16 -0.19 0.00 -1.21 0.00 0.00 61.69 61.08 2crl s THR 17 Cb -0.19 -0.68 -0.06 0.00 -1.51 0.00 0.00 72.50 70.05 2crl s THR 17 CO 0.27 0.26 0.56 -0.22 -2.21 0.00 0.00 174.62 173.28 2crl s LEU 18 N 1.09 4.50 0.18 9.08 0.20 -1.26 -4.63 118.68 127.84 2crl s LEU 18 Ca -0.08 1.21 0.02 0.00 0.69 0.00 0.00 54.13 55.97 2crl s LEU 18 Cb -0.14 -2.87 -0.05 0.00 -0.43 0.00 0.00 46.19 42.70 2crl s LEU 18 CO -0.01 0.24 0.01 0.00 -0.29 0.00 0.00 176.35 176.30 2crl s THR 20 N -3.63 5.30 -0.17 0.00 2.01 -1.26 -2.89 115.64 115.00 2crl s THR 20 Ca 0.25 0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.48 2crl s THR 20 Cb 0.06 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 2crl s THR 20 CO 0.05 0.27 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.42 2crl s LEU 21 N 1.54 2.91 -0.05 4.42 1.43 -1.04 -3.40 118.68 124.49 2crl s LEU 21 Ca 0.09 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2crl s LEU 21 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2crl s LEU 21 CO 0.09 0.09 0.20 -1.61 0.23 0.00 0.00 176.35 175.34 2crl s GLU 22 N 0.82 3.50 -0.04 1.70 2.02 -1.23 -0.72 118.70 124.75 2crl s GLU 22 Ca -0.02 -0.15 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 2crl s GLU 22 Cb -0.15 -3.14 0.03 0.00 0.10 0.00 0.00 34.13 30.98 2crl s GLU 22 CO 0.01 0.71 0.09 -0.06 0.02 0.00 0.00 175.26 176.03 2crl s PHE 23 N -1.19 -0.07 -0.76 1.61 0.08 0.12 -3.50 117.98 114.27 2crl s PHE 23 Ca 0.22 0.30 -0.19 0.00 0.12 0.00 0.00 56.93 57.38 2crl s PHE 23 Cb -0.13 -0.14 0.12 0.00 -0.57 0.00 0.00 43.02 42.30 2crl s PHE 23 CO 0.12 -0.12 0.94 0.00 -0.10 0.00 0.00 175.22 176.06 2crl s ALA 24 N 1.03 3.38 -0.07 5.36 0.00 0.39 0.66 121.76 132.51 2crl s ALA 24 Ca -0.08 -2.44 -0.06 0.00 0.00 0.00 0.00 51.96 49.38 2crl s ALA 24 Cb -0.11 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 2crl s ALA 24 CO -0.04 -2.71 0.18 0.08 0.00 0.00 0.00 175.76 173.27 2crl s VAL 25 N 2.82 5.44 -0.61 0.00 1.01 -1.09 -2.78 120.40 125.20 2crl s VAL 25 Ca 0.23 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.14 2crl s VAL 25 Cb -0.13 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.85 2crl s VAL 25 CO -0.00 0.52 0.87 -1.58 0.00 0.00 0.00 175.10 174.90 2crl s GLN 26 N -1.33 3.14 0.43 2.72 0.74 -1.25 -4.44 119.66 119.67 2crl s GLN 26 Ca 0.20 -0.82 0.03 0.00 0.05 0.00 0.00 55.36 54.82 2crl s GLN 26 Cb -0.13 -4.18 0.00 0.00 1.10 0.00 0.00 33.01 29.80 2crl s GLN 26 CO 0.09 -1.62 0.63 -1.64 -0.55 0.00 0.00 175.29 172.20 2crl s MET 27 N 3.60 2.97 0.06 1.67 -1.94 -1.26 -4.89 119.30 119.52 2crl s MET 27 Ca 0.21 -0.73 0.00 0.00 -1.71 0.00 0.00 55.69 53.45 2crl s MET 27 Cb -0.18 -2.63 0.00 0.00 2.01 0.00 0.00 34.83 34.03 2crl s MET 27 CO 0.11 -0.26 0.00 0.25 -0.01 0.00 0.00 175.02 175.12 2crl n THR 28 N -1.99 0.16 -4.45 2.05 -2.24 -1.26 -5.10 114.28 101.45 2crl n THR 28 Ca 0.03 0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.62 2crl n THR 28 Cb 0.58 -0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 67.79 2crl n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crl h GLN 30 N 1.87 -0.38 -0.60 0.00 5.75 -2.00 -2.49 115.11 117.26 2crl h GLN 30 Ca -0.31 0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.27 2crl h GLN 30 Cb 1.26 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 29.83 2crl h GLN 30 CO 0.49 -0.25 -0.35 0.45 -2.65 0.00 0.00 178.83 176.51 2crl n SER 31 N -5.42 -0.63 -0.33 -0.69 2.88 -1.26 0.18 113.62 108.34 2crl n SER 31 Ca -0.02 1.19 0.21 0.00 -1.33 0.00 0.00 58.87 58.92 2crl n SER 31 Cb 0.35 -0.20 0.41 0.00 -0.75 0.00 0.00 64.21 64.02 2crl n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2crl h VAL 33 N 0.07 1.28 0.25 0.00 2.07 0.18 -2.64 116.25 117.46 2crl h VAL 33 Ca 0.69 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2crl h VAL 33 Cb 1.60 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2crl h VAL 33 CO -0.79 0.43 -0.12 -0.78 0.02 0.00 0.00 177.57 176.32 2crl h ASP 34 N 0.42 -0.29 -0.05 0.57 3.58 0.29 -2.95 116.42 117.99 2crl h ASP 34 Ca 0.06 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.48 2crl h ASP 34 Cb 0.73 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 2crl h ASP 34 CO 0.06 -0.14 -0.08 0.00 -2.88 0.00 0.00 179.24 176.20 2crl h ALA 35 N 0.31 -0.04 -0.88 -0.78 0.00 -1.31 -0.30 119.26 116.27 2crl h ALA 35 Ca -0.03 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.06 2crl h ALA 35 Cb 0.32 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.10 2crl h ALA 35 CO 0.06 -0.55 -0.30 0.28 0.00 0.00 0.00 179.25 178.74 2crl h VAL 36 N -0.11 0.08 0.18 0.00 2.07 -1.42 0.69 116.25 117.73 2crl h VAL 36 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2crl h VAL 36 Cb 0.18 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2crl h VAL 36 CO -0.12 0.00 -0.08 0.03 0.02 0.00 0.00 177.57 177.42 2crl h ARG 37 N -0.03 -0.23 -0.44 1.57 3.08 -1.32 -3.02 114.38 114.00 2crl h ARG 37 Ca 0.37 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.56 2crl h ARG 37 Cb 0.62 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 2crl h ARG 37 CO -0.91 0.17 0.48 -0.22 -1.07 0.00 0.00 179.97 178.42 2crl h LYS 38 N -0.72 0.00 0.00 0.04 3.64 0.14 2.03 116.57 121.70 2crl h LYS 38 Ca -0.02 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2crl h LYS 38 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2crl h LYS 38 CO 0.04 0.00 -0.45 0.66 -2.27 0.00 0.00 179.45 177.43 2crl h SER 39 N 0.00 0.00 0.00 4.20 4.64 0.47 -3.28 113.55 119.58 2crl h SER 39 Ca 0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 2crl h SER 39 Cb 1.17 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.16 2crl h SER 39 CO -0.00 0.45 -0.52 0.18 -0.87 0.00 0.00 176.83 176.07 2crl n LEU 40 N -3.49 1.20 -4.66 5.97 4.77 0.21 -4.97 117.00 116.03 2crl n LEU 40 Ca 0.00 -2.17 -0.43 0.00 -0.03 0.00 0.00 56.01 53.38 2crl n LEU 40 Cb 0.58 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2crl n LEU 40 CO 0.38 0.60 0.88 0.00 -1.33 0.00 0.00 177.39 177.92 2crl s GLN 41 N -1.15 4.26 -1.56 3.23 -2.07 0.63 -4.04 119.66 118.96 2crl s GLN 41 Ca 0.22 1.31 -0.01 0.00 -1.82 0.00 0.00 55.36 55.06 2crl s GLN 41 Cb 0.22 -3.64 0.01 0.00 -1.09 0.00 0.00 33.01 28.51 2crl s GLN 41 CO -0.05 -0.60 0.04 0.41 -1.32 0.00 0.00 175.29 173.77 2crl n GLY 42 N 3.36 -0.13 3.61 2.60 0.00 -1.26 -4.92 105.19 108.44 2crl n GLY 42 Ca 0.11 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 2crl n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2crl s VAL 43 N -4.33 4.10 0.06 1.61 1.01 -1.26 -5.05 120.40 116.54 2crl s VAL 43 Ca 0.03 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 2crl s VAL 43 Cb -0.02 -2.74 -0.14 0.00 0.00 0.00 0.00 36.38 33.48 2crl s VAL 43 CO 1.00 0.56 0.64 0.00 0.00 0.00 0.00 175.10 177.30 2crl n ALA 44 N 2.65 -2.71 0.00 5.51 0.00 -1.26 -0.34 120.51 124.36 2crl n ALA 44 Ca -0.18 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2crl n ALA 44 Cb 0.53 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2crl n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2crl n GLY 45 N 1.31 2.08 3.64 0.00 0.00 -1.26 -4.96 105.19 106.00 2crl n GLY 45 Ca 0.15 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2crl n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2crl s VAL 46 N 0.00 3.97 -0.07 1.61 1.01 0.53 -3.44 120.40 124.02 2crl s VAL 46 Ca 0.00 1.13 0.14 0.00 0.00 0.00 0.00 61.98 63.25 2crl s VAL 46 Cb 0.00 -3.87 -0.23 0.00 0.00 0.00 0.00 36.38 32.28 2crl s VAL 46 CO 0.00 -0.25 0.59 0.00 0.00 0.00 0.00 175.10 175.44 2crl n GLN 47 N 7.17 0.64 -3.52 2.72 10.64 0.13 -4.23 117.38 130.93 2crl n GLN 47 Ca 0.16 0.25 -0.10 0.00 -1.83 0.00 0.00 57.00 55.48 2crl n GLN 47 Cb 0.45 -1.76 -0.02 0.00 -0.86 0.00 0.00 30.24 28.05 2crl n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2crl s ASP 48 N -5.99 -0.47 -0.19 2.61 1.01 -0.90 -4.99 116.67 107.76 2crl s ASP 48 Ca -0.05 -0.11 -0.15 0.00 0.71 0.00 0.00 52.55 52.95 2crl s ASP 48 Cb 0.08 0.57 0.05 0.00 1.01 0.00 0.00 42.92 44.63 2crl s ASP 48 CO 0.83 -0.96 0.49 0.54 0.21 0.00 0.00 175.17 176.28 2crl s VAL 49 N -3.63 -0.01 -0.08 -1.27 0.11 -1.26 0.23 120.40 114.49 2crl s VAL 49 Ca 0.04 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.15 2crl s VAL 49 Cb -0.02 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 2crl s VAL 49 CO -0.09 0.01 -0.21 -1.61 -3.33 0.00 0.00 175.10 169.87 2crl s GLU 50 N 0.68 2.62 -0.24 1.54 2.02 -1.01 -4.99 118.70 119.32 2crl s GLU 50 Ca -0.03 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.22 2crl s GLU 50 Cb -0.05 -2.04 0.06 0.00 0.10 0.00 0.00 34.13 32.20 2crl s GLU 50 CO -0.05 0.17 -0.09 0.54 0.02 0.00 0.00 175.26 175.85 2crl s VAL 51 N 0.35 1.90 -0.23 2.63 0.11 -1.26 0.69 120.40 124.59 2crl s VAL 51 Ca -0.16 -1.41 -0.07 0.00 -2.93 0.00 0.00 61.98 57.40 2crl s VAL 51 Cb -0.17 -2.05 -0.03 0.00 -1.53 0.00 0.00 36.38 32.60 2crl s VAL 51 CO 0.07 -0.02 0.07 -1.00 -3.33 0.00 0.00 175.10 170.89 2crl s HIS 52 N 1.24 3.12 -0.17 1.54 3.76 0.16 -4.99 115.29 119.94 2crl s HIS 52 Ca -0.07 -0.30 -0.25 0.00 -0.15 0.00 0.00 55.06 54.30 2crl s HIS 52 Cb -0.19 -2.20 -0.22 0.00 1.11 0.00 0.00 32.58 31.08 2crl s HIS 52 CO -0.06 -0.24 0.48 1.25 -0.85 0.00 0.00 174.74 175.32 2crl h LEU 53 N 7.90 0.00 -1.89 0.89 5.85 -1.95 0.80 115.31 126.91 2crl h LEU 53 Ca -0.37 -0.73 0.12 0.00 0.84 0.00 0.00 57.88 57.73 2crl h LEU 53 Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2crl h LEU 53 CO 0.60 1.21 0.33 1.05 -0.34 0.00 0.00 178.44 181.29 2crl h GLU 54 N -1.00 0.11 -0.31 1.25 4.11 -1.96 0.16 114.58 116.94 2crl h GLU 54 Ca -0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2crl h GLU 54 Cb 1.10 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2crl h GLU 54 CO -0.10 0.07 0.00 -0.25 0.07 0.00 0.00 179.01 178.81 2crl n ASP 55 N -4.43 3.10 -3.83 3.06 8.00 -1.25 -4.96 116.55 116.23 2crl n ASP 55 Ca 0.08 -1.90 -0.29 0.00 0.71 0.00 0.00 54.79 53.39 2crl n ASP 55 Cb 0.47 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 41.33 2crl n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crl n GLN 56 N 1.17 -2.13 -4.22 -1.24 1.13 0.55 -4.91 117.38 107.73 2crl n GLN 56 Ca 0.16 0.22 -0.23 0.00 -1.94 0.00 0.00 57.00 55.21 2crl n GLN 56 Cb 0.52 -4.84 -0.07 0.00 0.11 0.00 0.00 30.24 25.96 2crl n GLN 56 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2crl s MET 57 N -6.48 2.32 -0.27 -1.09 -1.94 0.20 -2.69 119.30 109.35 2crl s MET 57 Ca 0.56 -1.49 -0.01 0.00 -1.71 0.00 0.00 55.69 53.04 2crl s MET 57 Cb -0.32 -2.15 0.15 0.00 2.01 0.00 0.00 34.83 34.52 2crl s MET 57 CO 0.69 0.25 0.39 0.08 -0.01 0.00 0.00 175.02 176.42 2crl s VAL 58 N -2.38 -0.62 0.48 -6.03 1.01 0.21 -0.67 120.40 112.40 2crl s VAL 58 Ca 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 2crl s VAL 58 Cb -0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2crl s VAL 58 CO 0.21 -0.19 0.74 -0.76 0.00 0.00 0.00 175.10 175.10 2crl s LEU 59 N 2.55 3.59 -0.27 3.92 1.02 0.22 -0.70 118.68 129.01 2crl s LEU 59 Ca 0.12 0.61 -0.00 0.00 0.02 0.00 0.00 54.13 54.87 2crl s LEU 59 Cb -0.14 -3.49 0.15 0.00 0.02 0.00 0.00 46.19 42.73 2crl s LEU 59 CO -0.22 -0.69 0.42 -0.69 0.02 0.00 0.00 176.35 175.18 2crl s VAL 60 N -2.68 -0.66 -0.74 -1.59 1.01 0.10 -2.41 120.40 113.43 2crl s VAL 60 Ca 0.48 -0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.08 2crl s VAL 60 Cb -0.10 -0.91 0.08 0.00 0.00 0.00 0.00 36.38 35.44 2crl s VAL 60 CO 0.41 -0.18 1.06 -1.00 0.00 0.00 0.00 175.10 175.40 2crl s HIS 61 N 2.58 2.70 0.12 5.22 3.76 0.14 -2.48 115.29 127.33 2crl s HIS 61 Ca 0.12 -0.67 -0.06 0.00 -0.15 0.00 0.00 55.06 54.29 2crl s HIS 61 Cb -0.14 -4.36 -0.02 0.00 1.11 0.00 0.00 32.58 29.18 2crl s HIS 61 CO -0.23 -1.69 0.18 -0.08 -0.85 0.00 0.00 174.74 172.07 2crl s THR 62 N 4.05 0.11 -2.24 1.30 -1.32 -1.14 0.19 115.64 116.59 2crl s THR 62 Ca 0.27 -1.47 0.23 0.00 -1.21 0.00 0.00 61.69 59.50 2crl s THR 62 Cb -0.13 -1.70 0.52 0.00 -1.51 0.00 0.00 72.50 69.69 2crl s THR 62 CO 0.06 -0.51 1.67 0.35 -2.21 0.00 0.00 174.62 173.98 2crl n THR 63 N -0.11 0.11 -3.29 5.08 -2.24 -1.22 -2.61 114.28 109.99 2crl n THR 63 Ca -0.10 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.14 2crl n THR 63 Cb 0.63 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 69.01 2crl n THR 63 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2crl s LEU 64 N -1.69 4.08 0.22 3.22 1.43 -1.26 -4.84 118.68 119.84 2crl s LEU 64 Ca 0.34 0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 2crl s LEU 64 Cb 0.18 -3.70 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 2crl s LEU 64 CO 0.28 -0.17 1.29 -2.16 0.23 0.00 0.00 176.35 175.82 2crl s PRO 65 N -3.22 4.41 0.35 1.29 0.04 -1.26 -4.81 135.00 131.79 2crl s PRO 65 Ca 0.47 2.05 0.28 0.00 0.04 0.00 0.00 61.00 63.84 2crl s PRO 65 Cb -0.11 -3.18 1.14 0.00 0.04 0.00 0.00 34.50 32.39 2crl s PRO 65 CO 0.25 -0.21 1.13 -1.13 0.04 0.00 0.00 177.00 177.08 2crl n SER 66 N 2.31 0.10 0.21 6.66 3.41 -1.26 0.14 113.62 125.19 2crl n SER 66 Ca 0.05 0.90 -0.15 0.00 -0.26 0.00 0.00 58.87 59.41 2crl n SER 66 Cb 0.43 -0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 2crl n SER 66 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2crl h GLN 67 N 0.00 -0.53 0.02 4.33 4.15 -1.99 0.23 115.11 121.31 2crl h GLN 67 Ca 0.65 0.04 0.02 0.00 0.77 0.00 0.00 58.65 60.13 2crl h GLN 67 Cb 2.28 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 30.07 2crl h GLN 67 CO -0.22 -0.35 -0.12 1.49 -1.93 0.00 0.00 178.83 177.69 2crl h GLU 68 N -0.55 -0.21 -0.30 1.69 4.57 0.84 -2.74 114.58 117.88 2crl h GLU 68 Ca -0.03 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2crl h GLU 68 Cb 0.46 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 2crl h GLU 68 CO 0.02 -0.14 0.08 0.28 -1.18 0.00 0.00 179.01 178.08 2crl h VAL 69 N -0.22 0.89 -0.95 0.32 2.07 -1.40 -2.06 116.25 114.91 2crl h VAL 69 Ca 0.04 -0.07 0.27 0.00 0.82 0.00 0.00 66.70 67.76 2crl h VAL 69 Cb 0.26 0.67 -0.14 0.00 -1.52 0.00 0.00 31.29 30.56 2crl h VAL 69 CO -0.11 0.04 0.44 -0.61 0.02 0.00 0.00 177.57 177.35 2crl h GLN 70 N 0.20 0.33 -0.39 1.57 4.15 -0.25 0.54 115.11 121.25 2crl h GLN 70 Ca 0.14 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 2crl h GLN 70 Cb 0.13 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2crl h GLN 70 CO -0.16 0.22 -0.19 0.00 -1.93 0.00 0.00 178.83 176.76 2crl h ALA 71 N 1.79 0.92 -0.60 3.38 0.00 -1.13 -1.83 119.26 121.79 2crl h ALA 71 Ca 0.64 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2crl h ALA 71 Cb 1.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2crl h ALA 71 CO -0.59 0.62 0.16 -0.07 0.00 0.00 0.00 179.25 179.36 2crl h LEU 72 N 0.67 0.86 -0.10 0.00 3.38 0.32 -1.93 115.31 118.51 2crl h LEU 72 Ca 0.10 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2crl h LEU 72 Cb 0.69 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2crl h LEU 72 CO 0.05 0.83 -0.26 -0.07 0.09 0.00 0.00 178.44 179.08 2crl h LEU 73 N 0.88 0.41 -2.62 1.67 3.38 -1.04 -3.04 115.31 114.95 2crl h LEU 73 Ca 0.19 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2crl h LEU 73 Cb 0.30 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2crl h LEU 73 CO -0.00 0.92 -0.01 -0.33 0.09 0.00 0.00 178.44 179.11 2crl h GLU 74 N -0.08 0.00 -0.33 1.13 5.08 -1.20 -2.19 114.58 116.98 2crl h GLU 74 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2crl h GLU 74 Cb 0.87 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2crl h GLU 74 CO 0.06 0.01 0.22 0.78 -1.00 0.00 0.00 179.01 179.08 2crl h GLY 75 N 0.35 0.29 2.00 -3.84 0.00 -1.22 -0.05 103.07 100.59 2crl h GLY 75 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2crl h GLY 75 CO 0.00 0.08 -0.08 -0.91 0.00 0.00 0.00 176.54 175.63 2crl h THR 76 N 0.24 0.23 0.00 4.70 1.35 -1.55 -3.46 112.91 114.43 2crl h THR 76 Ca 0.14 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2crl h THR 76 Cb 0.26 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2crl h THR 76 CO -0.03 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 2crl n GLY 77 N -0.16 1.12 3.94 5.82 0.00 -0.03 -5.11 105.19 110.78 2crl n GLY 77 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2crl n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2crl s ARG 78 N -0.59 2.52 -0.37 1.61 1.70 -1.26 -5.09 118.95 117.47 2crl s ARG 78 Ca 0.00 -1.56 -0.11 0.00 -0.47 0.00 0.00 55.73 53.59 2crl s ARG 78 Cb 0.00 -2.47 0.03 0.00 -0.57 0.00 0.00 34.95 31.94 2crl s ARG 78 CO 0.00 -0.39 0.20 -1.14 -1.08 0.00 0.00 175.30 172.89 2crl s GLN 79 N -4.30 2.84 -0.20 3.89 0.74 -1.26 -4.50 119.66 116.86 2crl s GLN 79 Ca 0.50 -1.07 -0.05 0.00 0.05 0.00 0.00 55.36 54.79 2crl s GLN 79 Cb -0.05 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 2crl s GLN 79 CO 0.30 -0.69 -0.01 0.00 -0.55 0.00 0.00 175.29 174.34 2crl s ALA 80 N 1.55 2.96 -0.20 1.58 0.00 -1.26 -3.80 121.76 122.59 2crl s ALA 80 Ca 0.02 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2crl s ALA 80 Cb -0.19 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.23 2crl s ALA 80 CO 0.06 -0.19 -0.17 0.08 0.00 0.00 0.00 175.76 175.54 2crl s VAL 81 N 1.08 2.11 0.28 0.00 1.01 -1.12 -4.92 120.40 118.84 2crl s VAL 81 Ca 0.02 -1.12 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 2crl s VAL 81 Cb -0.14 -1.98 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 2crl s VAL 81 CO 0.01 0.39 1.32 -0.22 0.00 0.00 0.00 175.10 176.60 2crl s LEU 82 N 1.24 4.42 -0.10 3.92 0.20 -1.26 -0.46 118.68 126.64 2crl s LEU 82 Ca 0.01 2.59 -0.02 0.00 0.69 0.00 0.00 54.13 57.41 2crl s LEU 82 Cb -0.15 -3.63 -0.06 0.00 -0.43 0.00 0.00 46.19 41.92 2crl s LEU 82 CO -0.11 -0.54 -0.11 0.29 -0.29 0.00 0.00 176.35 175.59 2crl n LYS 83 N 1.61 0.24 -3.21 1.98 4.76 -1.23 -4.90 118.16 117.41 2crl n LYS 83 Ca 0.03 0.07 0.04 0.00 -2.87 0.00 0.00 58.31 55.58 2crl n LYS 83 Cb 0.42 -1.08 -0.03 0.00 -1.84 0.00 0.00 35.03 32.50 2crl n LYS 83 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2crl s GLY 84 N -5.05 -0.03 0.00 0.72 0.00 -1.26 -5.08 107.32 96.62 2crl s GLY 84 Ca -0.14 3.23 0.00 0.00 0.00 0.00 0.00 44.72 47.81 2crl s GLY 84 CO 0.21 3.57 0.79 1.03 0.00 0.00 0.00 173.10 178.71 2crl n MET 85 N 5.04 0.00 0.00 2.90 2.81 -1.26 -3.70 117.12 122.91 2crl n MET 85 Ca -0.08 0.72 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 2crl n MET 85 Cb 0.54 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 2crl n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2crl n GLY 86 N -0.97 0.96 3.64 3.03 0.00 -1.22 -3.51 105.19 107.12 2crl n GLY 86 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2crl n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crl s SER 87 N -1.24 -0.38 -0.60 1.61 0.15 -1.26 -4.87 113.70 107.11 2crl s SER 87 Ca 0.00 0.66 0.04 0.00 0.70 0.00 0.00 55.95 57.35 2crl s SER 87 Cb 0.00 0.93 0.17 0.00 -1.71 0.00 0.00 66.02 65.41 2crl s SER 87 CO 0.00 -0.11 0.43 -0.83 1.20 0.00 0.00 173.24 173.93 2crl s GLY 88 N 0.76 2.37 -1.08 9.45 0.00 -1.26 -5.03 107.32 112.52 2crl s GLY 88 Ca -0.03 -3.36 -0.24 0.00 0.00 0.00 0.00 44.72 41.09 2crl s GLY 88 CO -0.12 1.40 2.00 1.62 0.00 0.00 0.00 173.10 178.00 2crl s GLN 89 N -0.89 2.23 -0.21 2.90 2.00 -1.26 -4.91 119.66 119.53 2crl s GLN 89 Ca 0.26 -0.75 -0.07 0.00 -2.00 0.00 0.00 55.36 52.80 2crl s GLN 89 Cb -0.04 -5.13 -0.04 0.00 0.80 0.00 0.00 33.01 28.60 2crl s GLN 89 CO -0.16 -4.13 0.06 -1.17 -0.50 0.00 0.00 175.29 169.39 2crl s LEU 90 N 12.05 3.64 -0.01 3.68 2.96 -1.26 -5.10 118.68 134.65 2crl s LEU 90 Ca 0.72 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.66 2crl s LEU 90 Cb -0.04 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2crl s LEU 90 CO 0.11 0.09 -0.23 -1.58 -1.32 0.00 0.00 176.35 173.42 2crl s GLN 91 N 0.87 2.15 0.26 1.98 0.74 -1.26 -5.12 119.66 119.27 2crl s GLN 91 Ca 0.03 -0.91 -0.21 0.00 0.05 0.00 0.00 55.36 54.32 2crl s GLN 91 Cb -0.14 -2.12 0.04 0.00 1.10 0.00 0.00 33.01 31.89 2crl s GLN 91 CO 0.02 0.56 0.81 0.54 -0.55 0.00 0.00 175.29 176.68 2crl s ASN 92 N -0.83 -0.18 -0.30 6.67 2.20 -1.26 -5.07 114.94 116.17 2crl s ASN 92 Ca 0.11 -0.64 0.13 0.00 -0.94 0.00 0.00 52.86 51.52 2crl s ASN 92 Cb -0.10 0.67 0.47 0.00 -2.00 0.00 0.00 41.25 40.29 2crl s ASN 92 CO 0.01 -1.26 1.14 -1.20 -2.94 0.00 0.00 177.10 172.84 2crl n SER 93 N -0.65 3.51 -2.18 3.54 7.64 -1.26 -5.05 113.62 119.17 2crl n SER 93 Ca -0.05 -3.08 -0.03 0.00 1.01 0.00 0.00 58.87 56.72 2crl n SER 93 Cb 0.60 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 2crl n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crl n GLY 94 N -0.60 -4.89 3.66 0.23 0.00 -1.26 -4.89 105.19 97.45 2crl n GLY 94 Ca 0.28 0.71 -0.42 0.00 0.00 0.00 0.00 46.02 46.58 2crl n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crl s PRO 95 N -0.85 4.20 -0.36 1.61 0.04 -1.26 -4.90 135.00 133.48 2crl s PRO 95 Ca -0.13 2.01 -0.40 0.00 0.04 0.00 0.00 61.00 62.52 2crl s PRO 95 Cb 0.01 -3.90 -0.15 0.00 0.04 0.00 0.00 34.50 30.50 2crl s PRO 95 CO 0.34 -0.79 1.94 -1.13 0.04 0.00 0.00 177.00 177.41 2crl n SER 96 N 6.88 1.90 -4.79 6.66 3.41 -1.26 -4.90 113.62 121.53 2crl n SER 96 Ca 0.16 0.81 -0.32 0.00 -0.26 0.00 0.00 58.87 59.26 2crl n SER 96 Cb 0.43 -1.11 0.06 0.00 -0.26 0.00 0.00 64.21 63.34 2crl n SER 96 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2crl s SER 97 N 5.11 5.05 0.00 4.04 1.04 -1.26 -5.30 113.70 122.37 2crl s SER 97 Ca 1.07 1.82 0.00 0.00 0.48 0.00 0.00 55.95 59.32 2crl s SER 97 Cb -1.13 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 62.47 2crl s SER 97 CO 0.62 -1.67 0.00 0.61 0.98 0.00 0.00 173.24 173.78