#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crl s SER 2 N 0.00 2.15 0.03 1.61 0.01 -1.26 -5.02 113.70 111.21 2crl s SER 2 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2crl s SER 2 Cb 0.00 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.64 2crl s SER 2 CO 0.00 -3.41 0.00 -1.54 0.41 0.00 0.00 173.24 168.70 2crl n SER 3 N -4.34 0.03 -0.30 2.44 3.41 -1.26 -5.16 113.62 108.45 2crl n SER 3 Ca 0.07 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2crl n SER 3 Cb 0.58 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2crl n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crl n GLY 4 N 2.07 -2.40 3.63 5.00 0.00 -1.26 -5.08 105.19 107.15 2crl n GLY 4 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 2crl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crl s SER 5 N -0.16 4.59 -0.30 1.61 0.01 -1.26 -5.12 113.70 113.08 2crl s SER 5 Ca 0.00 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 56.70 2crl s SER 5 Cb 0.00 -0.92 0.16 0.00 0.21 0.00 0.00 66.02 65.47 2crl s SER 5 CO 0.00 0.10 0.80 -0.55 0.41 0.00 0.00 173.24 173.99 2crl s SER 6 N -2.87 -0.93 -0.30 2.44 0.15 -1.26 -5.14 113.70 105.80 2crl s SER 6 Ca 0.26 1.06 -0.10 0.00 0.70 0.00 0.00 55.95 57.88 2crl s SER 6 Cb -0.09 1.97 0.18 0.00 -1.71 0.00 0.00 66.02 66.37 2crl s SER 6 CO 0.17 -0.18 0.97 -0.83 1.20 0.00 0.00 173.24 174.58 2crl s GLY 7 N 2.74 -0.68 -0.30 9.45 0.00 -1.26 -5.14 107.32 112.13 2crl s GLY 7 Ca 0.00 2.32 -0.05 0.00 0.00 0.00 0.00 44.72 46.99 2crl s GLY 7 CO -0.18 3.87 0.67 -0.29 0.00 0.00 0.00 173.10 177.17 2crl s MET 8 N 2.94 0.52 -0.10 2.90 -2.45 -1.26 -5.16 119.30 116.69 2crl s MET 8 Ca 0.12 1.05 -0.20 0.00 -1.25 0.00 0.00 55.69 55.41 2crl s MET 8 Cb -0.08 0.60 0.05 0.00 1.25 0.00 0.00 34.83 36.65 2crl s MET 8 CO -0.17 -0.45 0.49 0.00 1.05 0.00 0.00 175.02 175.93 2crl s ALA 9 N 2.86 -1.23 0.38 4.11 0.00 -1.26 -5.18 121.76 121.44 2crl s ALA 9 Ca 0.11 1.06 0.05 0.00 0.00 0.00 0.00 51.96 53.18 2crl s ALA 9 Cb -0.13 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 2crl s ALA 9 CO -0.19 -0.28 0.04 -1.12 0.00 0.00 0.00 175.76 174.21 2crl s SER 10 N -0.56 3.17 0.68 0.00 0.01 -1.26 -5.13 113.70 110.60 2crl s SER 10 Ca -0.07 -1.41 -0.17 0.00 1.31 0.00 0.00 55.95 55.61 2crl s SER 10 Cb -0.03 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.07 2crl s SER 10 CO 0.04 -0.58 1.26 1.51 0.41 0.00 0.00 173.24 175.88 2crl s ASP 11 N -3.62 4.46 0.03 2.44 1.47 -1.26 -5.03 116.67 115.16 2crl s ASP 11 Ca 0.33 2.52 0.06 0.00 1.18 0.00 0.00 52.55 56.64 2crl s ASP 11 Cb 0.08 -2.61 -0.02 0.00 -0.34 0.00 0.00 42.92 40.03 2crl s ASP 11 CO 0.16 -2.09 -0.18 -0.44 0.68 0.00 0.00 175.17 173.29 2crl s SER 12 N -1.62 2.14 0.00 2.11 0.01 -1.26 -5.05 113.70 110.03 2crl s SER 12 Ca 0.79 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2crl s SER 12 Cb -0.34 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2crl s SER 12 CO 0.41 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.80 2crl n GLY 13 N 1.99 1.03 2.40 3.44 0.00 -1.26 -5.04 105.19 107.74 2crl n GLY 13 Ca -0.17 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2crl n GLY 13 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2crl n ASN 14 N 0.00 7.22 -0.19 1.61 0.23 -1.26 -4.74 115.26 118.12 2crl n ASN 14 Ca 0.00 -3.79 -0.01 0.00 -0.53 0.00 0.00 54.58 50.25 2crl n ASN 14 Cb 0.00 -0.90 0.06 0.00 -2.08 0.00 0.00 39.78 36.87 2crl n ASN 14 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 2crl h GLN 15 N 2.22 0.03 -4.51 -3.83 4.20 -2.02 -3.47 115.11 107.72 2crl h GLN 15 Ca 0.56 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.27 2crl h GLN 15 Cb 0.77 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2crl h GLN 15 CO 1.44 0.02 -0.93 0.41 -0.67 0.00 0.00 178.83 179.09 2crl n GLY 16 N -1.39 -5.26 3.11 3.46 0.00 -1.26 -5.05 105.19 98.80 2crl n GLY 16 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 2crl n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2crl s THR 17 N -0.53 -0.74 -0.27 2.61 2.01 -1.26 -5.13 115.64 112.34 2crl s THR 17 Ca 0.00 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 2crl s THR 17 Cb 0.00 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.67 2crl s THR 17 CO 0.00 -0.04 1.25 -0.22 -0.69 0.00 0.00 174.62 174.92 2crl s LEU 18 N 2.66 3.97 0.11 4.42 2.96 -1.26 -4.27 118.68 127.27 2crl s LEU 18 Ca 0.10 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.35 2crl s LEU 18 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2crl s LEU 18 CO -0.17 -0.95 -0.08 0.00 -1.32 0.00 0.00 176.35 173.83 2crl s THR 20 N -3.34 4.95 -0.23 0.00 2.01 -1.26 -2.77 115.64 114.99 2crl s THR 20 Ca 0.12 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.37 2crl s THR 20 Cb 0.03 -3.94 0.06 0.00 0.01 0.00 0.00 72.50 68.66 2crl s THR 20 CO -0.03 0.39 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.49 2crl s LEU 21 N 0.01 2.44 -0.06 4.42 1.43 -0.88 -0.56 118.68 125.48 2crl s LEU 21 Ca 0.32 -1.15 -0.25 0.00 -1.03 0.00 0.00 54.13 52.01 2crl s LEU 21 Cb -0.18 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2crl s LEU 21 CO 0.17 -0.24 0.79 -1.61 0.23 0.00 0.00 176.35 175.68 2crl s GLU 22 N 1.44 4.46 -0.10 1.70 2.02 0.93 -1.62 118.70 127.54 2crl s GLU 22 Ca -0.05 1.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.97 2crl s GLU 22 Cb -0.19 -3.46 0.03 0.00 0.10 0.00 0.00 34.13 30.61 2crl s GLU 22 CO -0.06 0.00 -0.02 -0.06 0.02 0.00 0.00 175.26 175.13 2crl s PHE 23 N 0.96 1.01 -0.81 1.61 0.08 0.13 -1.72 117.98 119.23 2crl s PHE 23 Ca 0.42 -0.44 -0.26 0.00 0.12 0.00 0.00 56.93 56.76 2crl s PHE 23 Cb -0.19 -0.98 0.03 0.00 -0.57 0.00 0.00 43.02 41.31 2crl s PHE 23 CO 0.20 -0.42 1.40 0.00 -0.10 0.00 0.00 175.22 176.31 2crl s ALA 24 N 1.86 2.64 -0.12 5.36 0.00 0.26 0.11 121.76 131.88 2crl s ALA 24 Ca 0.04 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 50.37 2crl s ALA 24 Cb -0.13 -4.35 -0.04 0.00 0.00 0.00 0.00 23.12 18.60 2crl s ALA 24 CO -0.07 -3.49 0.19 0.08 0.00 0.00 0.00 175.76 172.47 2crl s VAL 25 N 6.02 5.41 0.08 0.00 1.01 -1.07 -2.66 120.40 129.19 2crl s VAL 25 Ca 0.42 0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.41 2crl s VAL 25 Cb -0.06 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 2crl s VAL 25 CO 0.08 0.57 1.35 0.00 0.00 0.00 0.00 175.10 177.10 2crl s GLN 26 N -0.71 4.34 -0.05 2.72 -2.07 -1.15 -4.40 119.66 118.33 2crl s GLN 26 Ca 0.15 1.99 -0.05 0.00 -1.82 0.00 0.00 55.36 55.63 2crl s GLN 26 Cb -0.13 -3.33 0.01 0.00 -1.09 0.00 0.00 33.01 28.48 2crl s GLN 26 CO 0.04 -0.42 0.14 -1.64 -1.32 0.00 0.00 175.29 172.09 2crl s MET 27 N 1.31 0.18 0.00 9.60 -1.94 -1.26 -4.80 119.30 122.39 2crl s MET 27 Ca 0.63 0.16 0.00 0.00 -1.71 0.00 0.00 55.69 54.77 2crl s MET 27 Cb -0.34 0.08 0.00 0.00 2.01 0.00 0.00 34.83 36.58 2crl s MET 27 CO 0.29 -0.02 0.00 0.25 -0.01 0.00 0.00 175.02 175.53 2crl n THR 28 N 2.93 0.00 -3.88 2.05 -2.24 -1.26 -4.98 114.28 106.90 2crl n THR 28 Ca -0.13 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 2crl n THR 28 Cb 0.59 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 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 2.90 0.09 0.00 0.00 5.75 -2.01 -2.15 115.11 119.70 2crl h GLN 30 Ca -0.34 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 2crl h GLN 30 Cb 1.19 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.72 2crl h GLN 30 CO 0.56 0.06 0.00 0.45 -2.65 0.00 0.00 178.83 177.25 2crl n SER 31 N -5.27 0.00 -0.30 -0.69 2.88 -1.26 0.12 113.62 109.10 2crl n SER 31 Ca 0.31 0.72 0.19 0.00 -1.33 0.00 0.00 58.87 58.76 2crl n SER 31 Cb 1.02 -0.36 0.36 0.00 -0.75 0.00 0.00 64.21 64.48 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 0.00 1.23 -0.63 0.00 2.07 0.80 0.20 116.25 119.93 2crl h VAL 33 Ca 0.62 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2crl h VAL 33 Cb 1.43 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 2crl h VAL 33 CO -0.78 0.26 0.35 0.44 0.02 0.00 0.00 177.57 177.86 2crl h ASP 34 N 0.97 0.54 -0.06 0.57 5.19 0.35 -2.02 116.42 121.95 2crl h ASP 34 Ca 0.24 0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.51 2crl h ASP 34 Cb 0.10 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.53 2crl h ASP 34 CO -0.03 0.36 -0.61 0.00 -3.12 0.00 0.00 179.24 175.84 2crl h ALA 35 N 1.31 0.15 -0.79 3.45 0.00 -1.11 -3.01 119.26 119.28 2crl h ALA 35 Ca 0.27 -0.55 0.17 0.00 0.00 0.00 0.00 54.91 54.80 2crl h ALA 35 Cb 0.13 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 2crl h ALA 35 CO -0.16 0.42 0.26 0.28 0.00 0.00 0.00 179.25 180.05 2crl h VAL 36 N 0.09 0.53 0.40 0.00 2.07 -0.31 0.21 116.25 119.25 2crl h VAL 36 Ca -0.06 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2crl h VAL 36 Cb 1.28 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2crl h VAL 36 CO 0.12 0.06 -0.19 0.03 0.02 0.00 0.00 177.57 177.61 2crl h ARG 37 N 0.34 -0.52 -0.74 1.57 3.08 -1.43 -3.19 114.38 113.50 2crl h ARG 37 Ca 0.45 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.68 2crl h ARG 37 Cb 0.78 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.85 2crl h ARG 37 CO -0.49 -0.21 0.27 -0.22 -1.07 0.00 0.00 179.97 178.25 2crl h LYS 38 N -0.87 0.39 -1.07 0.04 3.11 -1.26 1.99 116.57 118.90 2crl h LYS 38 Ca -0.06 -0.02 0.31 0.00 -2.81 0.00 0.00 60.65 58.07 2crl h LYS 38 Cb 0.55 -0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 31.65 2crl h LYS 38 CO 0.09 0.26 0.80 0.66 -2.81 0.00 0.00 179.45 178.45 2crl h SER 39 N 0.40 0.00 0.00 4.20 4.64 -0.59 -0.35 113.55 121.85 2crl h SER 39 Ca 0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.72 2crl h SER 39 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2crl h SER 39 CO -0.42 0.00 -0.35 0.18 -0.87 0.00 0.00 176.83 175.36 2crl n LEU 40 N -4.12 0.91 -4.66 5.97 4.77 0.68 -4.94 117.00 115.61 2crl n LEU 40 Ca 0.23 -1.83 -0.43 0.00 -0.03 0.00 0.00 56.01 53.96 2crl n LEU 40 Cb 1.16 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 42.07 2crl n LEU 40 CO 0.39 0.45 1.11 -1.58 -1.33 0.00 0.00 177.39 176.42 2crl s GLN 41 N -1.06 4.17 -1.38 3.23 0.74 0.64 -3.69 119.66 122.31 2crl s GLN 41 Ca 0.13 1.63 -0.18 0.00 0.05 0.00 0.00 55.36 57.00 2crl s GLN 41 Cb 0.12 -3.80 0.18 0.00 1.10 0.00 0.00 33.01 30.61 2crl s GLN 41 CO 0.00 -0.79 0.44 0.41 -0.55 0.00 0.00 175.29 174.80 2crl n GLY 42 N 3.76 -0.41 3.81 2.59 0.00 -1.26 -4.87 105.19 108.81 2crl n GLY 42 Ca 0.14 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.87 4.61 -0.53 1.61 1.01 -1.24 -4.94 120.40 118.04 2crl s VAL 43 Ca 0.61 1.25 -0.40 0.00 0.00 0.00 0.00 61.98 63.44 2crl s VAL 43 Cb -0.36 -3.87 -0.18 0.00 0.00 0.00 0.00 36.38 31.97 2crl s VAL 43 CO 0.75 0.28 2.22 0.00 0.00 0.00 0.00 175.10 178.36 2crl n ALA 44 N 0.93 0.40 0.00 5.51 0.00 -1.26 -0.01 120.51 126.07 2crl n ALA 44 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2crl n ALA 44 Cb 0.51 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 7.18 3.21 3.69 0.00 0.00 -1.26 -5.05 105.19 112.96 2crl n GLY 45 Ca 0.54 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.05 3.06 -0.19 1.61 1.01 0.98 -4.02 120.40 122.81 2crl s VAL 46 Ca 0.00 0.55 0.13 0.00 0.00 0.00 0.00 61.98 62.66 2crl s VAL 46 Cb 0.00 -3.35 -0.20 0.00 0.00 0.00 0.00 36.38 32.82 2crl s VAL 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.11 2crl n GLN 47 N 5.34 1.00 -3.55 2.72 -0.00 0.30 -4.29 117.38 118.90 2crl n GLN 47 Ca 0.15 0.02 -0.13 0.00 -0.00 0.00 0.00 57.00 57.05 2crl n GLN 47 Cb 0.41 -1.45 -0.04 0.00 -0.00 0.00 0.00 30.24 29.15 2crl n GLN 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2crl s ASP 48 N -5.39 -0.42 -0.21 2.61 2.15 -0.90 -4.98 116.67 109.52 2crl s ASP 48 Ca -0.13 0.01 -0.07 0.00 0.43 0.00 0.00 52.55 52.78 2crl s ASP 48 Cb 0.06 0.52 0.10 0.00 -0.30 0.00 0.00 42.92 43.29 2crl s ASP 48 CO 0.68 -0.82 0.45 0.54 -0.17 0.00 0.00 175.17 175.86 2crl s VAL 49 N -3.12 -0.68 -0.14 1.11 0.11 -1.26 0.32 120.40 116.75 2crl s VAL 49 Ca -0.02 0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 59.15 2crl s VAL 49 Cb -0.00 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2crl s VAL 49 CO -0.07 0.06 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.08 2crl s GLU 50 N 2.61 3.47 -0.15 1.54 0.41 -1.12 -4.98 118.70 120.48 2crl s GLU 50 Ca -0.03 -0.57 0.01 0.00 -0.41 0.00 0.00 54.97 53.97 2crl s GLU 50 Cb -0.12 -2.79 -0.00 0.00 -1.78 0.00 0.00 34.13 29.44 2crl s GLU 50 CO -0.14 0.29 -0.17 0.08 -0.49 0.00 0.00 175.26 174.84 2crl s VAL 51 N 0.19 2.57 -0.33 2.63 1.01 -1.26 0.28 120.40 125.48 2crl s VAL 51 Ca -0.04 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.17 2crl s VAL 51 Cb -0.14 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.27 2crl s VAL 51 CO 0.03 0.52 0.05 -1.00 0.00 0.00 0.00 175.10 174.71 2crl s HIS 52 N 0.77 3.40 0.20 5.22 3.76 -0.60 -4.95 115.29 123.09 2crl s HIS 52 Ca -0.06 -2.76 0.20 0.00 -0.15 0.00 0.00 55.06 52.28 2crl s HIS 52 Cb -0.15 -2.68 0.79 0.00 1.11 0.00 0.00 32.58 31.64 2crl s HIS 52 CO 0.00 -0.93 1.78 1.25 -0.85 0.00 0.00 174.74 175.99 2crl h LEU 53 N 7.70 0.00 -0.80 0.89 5.85 -1.95 0.72 115.31 127.71 2crl h LEU 53 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2crl h LEU 53 Cb 1.02 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2crl h LEU 53 CO 0.51 0.33 0.50 -0.08 -0.34 0.00 0.00 178.44 179.36 2crl h GLU 54 N 0.00 1.08 -0.28 1.25 4.81 -1.94 -2.74 114.58 116.75 2crl h GLU 54 Ca -0.00 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 2crl h GLU 54 Cb 0.81 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 2crl h GLU 54 CO 0.04 0.75 -0.03 -0.25 -0.73 0.00 0.00 179.01 178.79 2crl n ASP 55 N -4.48 3.15 -4.08 1.04 8.00 -1.16 -4.96 116.55 114.05 2crl n ASP 55 Ca 0.08 -3.35 -0.32 0.00 0.71 0.00 0.00 54.79 51.92 2crl n ASP 55 Cb 0.04 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.49 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 -0.86 -0.85 -4.29 -1.24 1.13 -0.51 -4.90 117.38 105.86 2crl n GLN 56 Ca 0.26 0.10 -0.23 0.00 -1.94 0.00 0.00 57.00 55.19 2crl n GLN 56 Cb 0.93 -3.56 -0.07 0.00 0.11 0.00 0.00 30.24 27.65 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 -6.55 2.30 -0.24 -1.09 -1.94 0.13 -2.59 119.30 109.31 2crl s MET 57 Ca 0.36 -1.39 -0.02 0.00 -1.71 0.00 0.00 55.69 52.93 2crl s MET 57 Cb -0.21 -2.18 0.11 0.00 2.01 0.00 0.00 34.83 34.56 2crl s MET 57 CO 0.87 0.37 0.27 0.08 -0.01 0.00 0.00 175.02 176.60 2crl s VAL 58 N -2.25 -0.38 0.47 -6.03 1.01 0.31 -1.56 120.40 111.96 2crl s VAL 58 Ca 0.31 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 2crl s VAL 58 Cb -0.07 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2crl s VAL 58 CO 0.20 -0.31 0.79 -0.76 0.00 0.00 0.00 175.10 175.01 2crl s LEU 59 N 2.36 3.66 -0.26 3.92 1.02 0.14 0.19 118.68 129.71 2crl s LEU 59 Ca 0.09 0.97 -0.01 0.00 0.02 0.00 0.00 54.13 55.20 2crl s LEU 59 Cb -0.15 -3.92 0.15 0.00 0.02 0.00 0.00 46.19 42.29 2crl s LEU 59 CO -0.21 -0.55 0.41 -0.69 0.02 0.00 0.00 176.35 175.33 2crl s VAL 60 N -2.68 -0.66 -0.83 -1.59 1.01 -0.64 -2.81 120.40 112.21 2crl s VAL 60 Ca 0.48 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 2crl s VAL 60 Cb -0.10 -0.88 0.11 0.00 0.00 0.00 0.00 36.38 35.51 2crl s VAL 60 CO 0.43 -0.14 1.04 -1.00 0.00 0.00 0.00 175.10 175.42 2crl s HIS 61 N 2.59 3.00 0.11 5.22 3.76 0.15 -2.06 115.29 128.06 2crl s HIS 61 Ca 0.13 -1.14 -0.03 0.00 -0.15 0.00 0.00 55.06 53.87 2crl s HIS 61 Cb -0.15 -4.25 -0.03 0.00 1.11 0.00 0.00 32.58 29.26 2crl s HIS 61 CO -0.20 -1.51 0.09 -0.08 -0.85 0.00 0.00 174.74 172.20 2crl s THR 62 N 3.01 0.13 -1.32 1.30 -1.32 -1.11 -0.54 115.64 115.79 2crl s THR 62 Ca 0.28 -1.71 0.28 0.00 -1.21 0.00 0.00 61.69 59.33 2crl s THR 62 Cb -0.10 -1.80 0.28 0.00 -1.51 0.00 0.00 72.50 69.37 2crl s THR 62 CO -0.03 -0.58 1.76 0.35 -2.21 0.00 0.00 174.62 173.91 2crl n THR 63 N -0.06 0.00 -2.48 5.08 -2.24 -1.26 -2.14 114.28 111.18 2crl n THR 63 Ca -0.09 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 2crl n THR 63 Cb 0.63 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.75 3.74 0.31 3.22 1.43 -1.26 -4.36 118.68 119.00 2crl s LEU 64 Ca 0.20 1.72 -0.29 0.00 -1.03 0.00 0.00 54.13 54.74 2crl s LEU 64 Cb 0.19 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 2crl s LEU 64 CO 0.55 -0.67 1.23 -2.16 0.23 0.00 0.00 176.35 175.53 2crl s PRO 65 N -3.65 4.46 0.10 1.29 0.04 -1.26 -4.81 135.00 131.17 2crl s PRO 65 Ca 0.62 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 63.53 2crl s PRO 65 Cb -0.12 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2crl s PRO 65 CO 0.25 -0.04 1.05 -1.13 0.04 0.00 0.00 177.00 177.16 2crl n SER 66 N 1.04 -0.67 -0.28 6.66 3.41 -1.26 0.63 113.62 123.15 2crl n SER 66 Ca -0.00 1.20 0.02 0.00 -0.26 0.00 0.00 58.87 59.83 2crl n SER 66 Cb 0.43 -0.18 0.07 0.00 -0.26 0.00 0.00 64.21 64.26 2crl n SER 66 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2crl n GLN 67 N -4.64 -0.12 0.32 4.33 7.27 -1.26 -0.15 117.38 123.12 2crl n GLN 67 Ca 0.01 1.17 -0.16 0.00 0.07 0.00 0.00 57.00 58.09 2crl n GLN 67 Cb 0.16 -1.73 -0.08 0.00 2.41 0.00 0.00 30.24 31.00 2crl n GLN 67 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2crl h GLU 68 N 0.00 -0.91 -1.01 3.69 4.39 -0.16 -1.79 114.58 118.79 2crl h GLU 68 Ca 0.31 0.06 0.24 0.00 0.34 0.00 0.00 59.36 60.31 2crl h GLU 68 Cb 0.50 0.21 -0.10 0.00 -0.10 0.00 0.00 28.75 29.25 2crl h GLU 68 CO -0.76 -0.61 0.63 0.28 -1.16 0.00 0.00 179.01 177.39 2crl h VAL 69 N -0.95 0.58 -0.11 3.13 2.07 -0.40 0.52 116.25 121.09 2crl h VAL 69 Ca -0.08 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2crl h VAL 69 Cb 0.78 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2crl h VAL 69 CO 0.03 0.10 -0.13 -0.61 0.02 0.00 0.00 177.57 176.98 2crl h GLN 70 N 0.53 0.18 -0.04 1.57 4.15 -0.09 -1.92 115.11 119.50 2crl h GLN 70 Ca 0.60 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.81 2crl h GLN 70 Cb 1.27 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 2crl h GLN 70 CO -0.36 0.32 -0.73 0.00 -1.93 0.00 0.00 178.83 176.13 2crl h ALA 71 N 1.70 0.69 -0.15 3.38 0.00 0.88 -2.76 119.26 123.00 2crl h ALA 71 Ca 0.04 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.13 2crl h ALA 71 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2crl h ALA 71 CO 0.02 0.81 -0.66 -0.07 0.00 0.00 0.00 179.25 179.35 2crl h LEU 72 N 0.15 0.69 -0.05 0.00 3.38 -0.85 -2.80 115.31 115.83 2crl h LEU 72 Ca -0.02 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2crl h LEU 72 Cb 1.29 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2crl h LEU 72 CO 0.11 1.17 0.00 -0.07 0.09 0.00 0.00 178.44 179.74 2crl h LEU 73 N 0.43 0.08 -2.44 1.67 3.38 -1.36 -2.76 115.31 114.32 2crl h LEU 73 Ca -0.02 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2crl h LEU 73 Cb 1.25 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2crl h LEU 73 CO 0.13 0.37 -0.03 -0.33 0.09 0.00 0.00 178.44 178.67 2crl h GLU 74 N -0.21 0.00 0.00 1.13 5.08 -1.54 -1.24 114.58 117.81 2crl h GLU 74 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2crl h GLU 74 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2crl h GLU 74 CO 0.00 0.03 0.00 0.78 -1.00 0.00 0.00 179.01 178.82 2crl h GLY 75 N 0.25 0.00 2.00 -3.84 0.00 -1.20 -1.82 103.07 98.46 2crl h GLY 75 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2crl h GLY 75 CO 0.00 0.00 -0.34 -0.91 0.00 0.00 0.00 176.54 175.29 2crl h THR 76 N 0.00 0.66 0.00 4.70 1.35 -1.31 -3.48 112.91 114.83 2crl h THR 76 Ca 0.00 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 2crl h THR 76 Cb 0.21 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2crl h THR 76 CO 0.00 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 2crl n GLY 77 N 0.81 2.42 3.91 5.82 0.00 -0.68 -5.10 105.19 112.36 2crl n GLY 77 Ca 0.01 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 1.67 0.29 1.61 1.70 -1.26 -5.04 118.95 117.92 2crl s ARG 78 Ca 0.00 -0.08 -0.15 0.00 -0.47 0.00 0.00 55.73 55.03 2crl s ARG 78 Cb 0.00 -1.96 -0.09 0.00 -0.57 0.00 0.00 34.95 32.33 2crl s ARG 78 CO 0.00 -1.75 0.71 -1.14 -1.08 0.00 0.00 175.30 172.05 2crl s GLN 79 N -5.60 4.03 -0.12 3.89 0.74 -1.26 -4.36 119.66 116.98 2crl s GLN 79 Ca 0.65 0.66 -0.04 0.00 0.05 0.00 0.00 55.36 56.68 2crl s GLN 79 Cb -0.09 -2.55 0.06 0.00 1.10 0.00 0.00 33.01 31.53 2crl s GLN 79 CO 0.49 0.22 0.19 0.00 -0.55 0.00 0.00 175.29 175.64 2crl s ALA 80 N -1.87 -0.22 0.06 1.58 0.00 -1.26 -2.96 121.76 117.09 2crl s ALA 80 Ca 0.51 0.53 0.09 0.00 0.00 0.00 0.00 51.96 53.10 2crl s ALA 80 Cb -0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2crl s ALA 80 CO 0.18 -0.71 -0.25 0.08 0.00 0.00 0.00 175.76 175.06 2crl s VAL 81 N 2.31 2.26 0.14 0.00 1.01 -1.09 -4.92 120.40 120.12 2crl s VAL 81 Ca 0.03 -1.44 -0.27 0.00 0.00 0.00 0.00 61.98 60.30 2crl s VAL 81 Cb -0.13 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 2crl s VAL 81 CO -0.07 0.30 0.84 -0.22 0.00 0.00 0.00 175.10 175.95 2crl s LEU 82 N -1.44 4.55 -0.07 3.92 2.96 -1.26 0.89 118.68 128.23 2crl s LEU 82 Ca 0.13 1.68 -0.01 0.00 -0.22 0.00 0.00 54.13 55.70 2crl s LEU 82 Cb -0.10 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 2crl s LEU 82 CO 0.03 0.10 -0.07 0.29 -1.32 0.00 0.00 176.35 175.38 2crl n LYS 83 N 2.13 0.15 -3.60 1.98 4.76 -0.70 -4.87 118.16 118.01 2crl n LYS 83 Ca -0.03 0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.33 2crl n LYS 83 Cb 0.49 -1.00 -0.07 0.00 -1.84 0.00 0.00 35.03 32.62 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 -4.79 -0.40 -0.01 0.72 0.00 -1.23 -5.03 107.32 96.58 2crl s GLY 84 Ca -0.09 2.08 0.02 0.00 0.00 0.00 0.00 44.72 46.73 2crl s GLY 84 CO 0.14 1.52 -0.05 -3.16 0.00 0.00 0.00 173.10 171.55 2crl s MET 85 N -0.18 0.46 -1.74 2.90 0.23 -1.26 -0.05 119.30 119.67 2crl s MET 85 Ca -0.01 -0.18 -0.16 0.00 -1.03 0.00 0.00 55.69 54.30 2crl s MET 85 Cb -0.03 -0.46 0.16 0.00 -1.53 0.00 0.00 34.83 32.96 2crl s MET 85 CO 0.01 0.10 0.52 0.41 -2.03 0.00 0.00 175.02 174.02 2crl n GLY 86 N 3.05 -0.34 3.45 3.16 0.00 0.27 -4.90 105.19 109.88 2crl n GLY 86 Ca -0.14 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.57 -0.56 -0.29 1.61 0.15 -1.26 -5.04 113.70 104.74 2crl s SER 87 Ca 0.59 0.35 -0.02 0.00 0.70 0.00 0.00 55.95 57.57 2crl s SER 87 Cb -0.34 0.53 0.19 0.00 -1.71 0.00 0.00 66.02 64.70 2crl s SER 87 CO 0.99 -0.73 0.77 -0.83 1.20 0.00 0.00 173.24 174.64 2crl s GLY 88 N -1.84 -1.05 -0.17 9.45 0.00 -1.26 -5.01 107.32 107.44 2crl s GLY 88 Ca -0.06 1.63 -0.04 0.00 0.00 0.00 0.00 44.72 46.25 2crl s GLY 88 CO 0.00 3.79 -0.04 1.20 0.00 0.00 0.00 173.10 178.05 2crl s GLN 89 N 2.88 3.58 -0.18 2.90 -0.21 -1.26 -5.09 119.66 122.28 2crl s GLN 89 Ca 0.16 -0.56 -0.14 0.00 0.02 0.00 0.00 55.36 54.84 2crl s GLN 89 Cb -0.08 -2.94 0.05 0.00 1.00 0.00 0.00 33.01 31.04 2crl s GLN 89 CO -0.23 0.11 0.46 -1.17 -2.12 0.00 0.00 175.29 172.34 2crl s LEU 90 N 0.70 0.04 -0.16 2.90 2.96 -1.26 -5.17 118.68 118.69 2crl s LEU 90 Ca -0.02 0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 54.55 2crl s LEU 90 Cb -0.14 1.56 0.13 0.00 0.50 0.00 0.00 46.19 48.23 2crl s LEU 90 CO 0.02 -0.18 0.99 -1.58 -1.32 0.00 0.00 176.35 174.28 2crl s GLN 91 N 0.74 0.60 0.04 1.98 2.00 -1.26 -5.18 119.66 118.58 2crl s GLN 91 Ca -0.04 0.16 -0.03 0.00 -2.00 0.00 0.00 55.36 53.46 2crl s GLN 91 Cb -0.05 0.28 -0.02 0.00 0.80 0.00 0.00 33.01 34.02 2crl s GLN 91 CO -0.05 -0.18 0.03 -0.80 -0.50 0.00 0.00 175.29 173.78 2crl s ASN 92 N -1.06 0.28 -0.12 6.67 -0.87 -1.26 -5.17 114.94 113.42 2crl s ASN 92 Ca -0.02 -0.66 -0.30 0.00 -1.57 0.00 0.00 52.86 50.31 2crl s ASN 92 Cb -0.01 0.19 0.10 0.00 -0.02 0.00 0.00 41.25 41.51 2crl s ASN 92 CO 0.02 -0.48 0.84 -0.94 -2.57 0.00 0.00 177.10 173.97 2crl s SER 93 N -2.19 -0.52 0.00 -1.22 1.04 -1.26 -5.13 113.70 104.43 2crl s SER 93 Ca -0.04 0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2crl s SER 93 Cb -0.01 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2crl s SER 93 CO -0.05 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2crl n GLY 94 N 0.93 -1.57 2.98 7.32 0.00 -1.26 -5.18 105.19 108.41 2crl n GLY 94 Ca -0.14 0.87 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 2crl n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crl n PRO 95 N 0.00 -2.84 -3.60 1.61 -0.04 -1.26 -5.10 135.00 123.77 2crl n PRO 95 Ca 0.00 -1.49 -0.15 0.00 -0.04 0.00 0.00 63.50 61.82 2crl n PRO 95 Cb 0.00 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 2crl n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crl s SER 96 N -4.01 -0.70 0.50 3.54 0.15 -1.26 -5.18 113.70 106.73 2crl s SER 96 Ca 0.61 1.18 0.07 0.00 0.70 0.00 0.00 55.95 58.50 2crl s SER 96 Cb -0.06 1.14 0.02 0.00 -1.71 0.00 0.00 66.02 65.41 2crl s SER 96 CO 0.46 -0.35 0.40 -0.94 1.20 0.00 0.00 173.24 174.01 2crl s SER 97 N -0.13 4.75 0.00 5.45 1.04 -1.26 -5.38 113.70 118.17 2crl s SER 97 Ca -0.03 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.33 2crl s SER 97 Cb -0.03 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.14 2crl s SER 97 CO 0.03 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.92