#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 -3.66 -0.06 1.61 7.64 -1.26 -4.85 113.62 113.04 2crl n SER 2 Ca 0.00 -0.88 -0.13 0.00 1.01 0.00 0.00 58.87 58.87 2crl n SER 2 Cb 0.00 -3.42 -0.05 0.00 -1.01 0.00 0.00 64.21 59.73 2crl n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2crl n SER 3 N -2.80 1.14 0.00 6.43 2.88 -1.26 -5.09 113.62 114.93 2crl n SER 3 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2crl n SER 3 Cb 0.54 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2crl n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crl n GLY 4 N 2.31 0.89 3.83 0.46 0.00 -1.26 -4.59 105.19 106.84 2crl n GLY 4 Ca -0.24 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.00 6.92 -0.24 1.61 0.01 -1.26 -5.01 113.70 111.73 2crl s SER 5 Ca 0.00 1.31 -0.09 0.00 1.31 0.00 0.00 55.95 58.48 2crl s SER 5 Cb 0.00 -2.38 -0.16 0.00 0.21 0.00 0.00 66.02 63.69 2crl s SER 5 CO 0.00 -0.04 -0.15 -1.54 0.41 0.00 0.00 173.24 171.92 2crl n SER 6 N 0.33 1.97 0.00 2.44 3.41 -1.26 -5.05 113.62 115.46 2crl n SER 6 Ca -0.01 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2crl n SER 6 Cb 0.52 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2crl n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crl n GLY 7 N 1.69 0.11 2.97 5.00 0.00 -1.26 -5.15 105.19 108.55 2crl n GLY 7 Ca -0.46 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2crl n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2crl s MET 8 N 0.00 1.90 -0.17 1.61 1.00 -1.26 -5.11 119.30 117.27 2crl s MET 8 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 55.69 54.90 2crl s MET 8 Cb 0.00 -2.33 -0.01 0.00 0.00 0.00 0.00 34.83 32.49 2crl s MET 8 CO 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 175.02 174.47 2crl s ALA 9 N 1.45 2.61 -0.28 3.03 0.00 -1.26 -5.09 121.76 122.22 2crl s ALA 9 Ca -0.01 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2crl s ALA 9 Cb -0.16 -1.35 0.06 0.00 0.00 0.00 0.00 23.12 21.67 2crl s ALA 9 CO -0.08 -0.09 -0.07 0.45 0.00 0.00 0.00 175.76 175.96 2crl s SER 10 N 0.91 4.54 0.05 0.00 0.15 -1.26 -5.11 113.70 112.99 2crl s SER 10 Ca -0.03 -1.49 0.05 0.00 0.70 0.00 0.00 55.95 55.18 2crl s SER 10 Cb -0.15 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.54 2crl s SER 10 CO -0.01 -0.23 -0.07 -1.81 1.20 0.00 0.00 173.24 172.33 2crl s ASP 11 N 1.10 4.57 0.15 5.45 1.01 -1.26 -5.13 116.67 122.56 2crl s ASP 11 Ca -0.06 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 52.92 2crl s ASP 11 Cb -0.20 -0.99 -0.03 0.00 1.01 0.00 0.00 42.92 42.71 2crl s ASP 11 CO -0.05 0.23 0.14 -0.94 0.21 0.00 0.00 175.17 174.75 2crl s SER 12 N -1.82 0.21 0.00 0.27 1.04 -1.26 -5.16 113.70 106.97 2crl s SER 12 Ca 0.20 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2crl s SER 12 Cb -0.11 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2crl s SER 12 CO 0.11 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.14 2crl n GLY 13 N -0.16 1.64 2.93 7.32 0.00 -1.26 -5.18 105.19 110.49 2crl n GLY 13 Ca -0.05 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 2crl n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2crl s ASN 14 N 0.00 0.22 0.42 1.61 -0.87 -1.26 -5.03 114.94 110.03 2crl s ASN 14 Ca 0.00 -0.23 0.20 0.00 -1.57 0.00 0.00 52.86 51.26 2crl s ASN 14 Cb 0.00 0.03 0.90 0.00 -0.02 0.00 0.00 41.25 42.16 2crl s ASN 14 CO 0.00 -0.12 1.85 0.06 -2.57 0.00 0.00 177.10 176.32 2crl h GLN 15 N 5.47 0.00 -4.16 -0.60 -0.00 -2.02 -3.48 115.11 110.32 2crl h GLN 15 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 2crl h GLN 15 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 2crl h GLN 15 CO 0.47 0.30 -0.50 0.41 -0.00 0.00 0.00 178.83 179.50 2crl n GLY 16 N -0.16 -3.32 3.25 0.06 0.00 -1.26 -5.02 105.19 98.74 2crl n GLY 16 Ca -0.01 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.00 3.38 -0.40 2.61 2.01 -1.26 -5.04 115.64 115.92 2crl s THR 17 Ca 0.02 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 2crl s THR 17 Cb -0.00 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.73 2crl s THR 17 CO 0.42 0.05 1.09 -0.22 -0.69 0.00 0.00 174.62 175.27 2crl s LEU 18 N 1.38 3.79 0.06 4.42 2.96 -1.26 -4.20 118.68 125.83 2crl s LEU 18 Ca -0.00 0.70 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 2crl s LEU 18 Cb -0.18 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 2crl s LEU 18 CO -0.01 -1.07 -0.12 0.00 -1.32 0.00 0.00 176.35 173.84 2crl s THR 20 N -1.29 4.26 -0.22 0.00 2.01 -1.26 -2.91 115.64 116.23 2crl s THR 20 Ca -0.05 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 2crl s THR 20 Cb -0.10 -4.68 0.00 0.00 0.01 0.00 0.00 72.50 67.73 2crl s THR 20 CO 0.01 -1.43 0.94 -0.76 -0.69 0.00 0.00 174.62 172.69 2crl s LEU 21 N 4.25 4.12 -0.15 4.42 1.43 -1.01 -2.36 118.68 129.38 2crl s LEU 21 Ca 0.25 1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 54.44 2crl s LEU 21 Cb -0.15 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2crl s LEU 21 CO 0.13 -0.57 0.42 -1.61 0.23 0.00 0.00 176.35 174.95 2crl s GLU 22 N 2.84 4.28 0.08 1.70 2.02 -1.26 -1.17 118.70 127.19 2crl s GLU 22 Ca 0.41 0.31 0.04 0.00 0.02 0.00 0.00 54.97 55.75 2crl s GLU 22 Cb -0.16 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2crl s GLU 22 CO 0.08 0.12 -0.12 -0.06 0.02 0.00 0.00 175.26 175.30 2crl s PHE 23 N 0.78 1.11 -0.59 1.61 0.08 -0.83 -2.39 117.98 117.75 2crl s PHE 23 Ca 0.22 -0.52 -0.10 0.00 0.12 0.00 0.00 56.93 56.65 2crl s PHE 23 Cb -0.14 -0.62 0.15 0.00 -0.57 0.00 0.00 43.02 41.84 2crl s PHE 23 CO 0.08 0.03 0.48 0.00 -0.10 0.00 0.00 175.22 175.71 2crl s ALA 24 N -1.65 3.63 -0.13 5.36 0.00 0.88 -0.59 121.76 129.26 2crl s ALA 24 Ca -0.01 -2.86 -0.05 0.00 0.00 0.00 0.00 51.96 49.05 2crl s ALA 24 Cb -0.08 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2crl s ALA 24 CO 0.02 -2.05 0.04 0.08 0.00 0.00 0.00 175.76 173.85 2crl s VAL 25 N 0.85 4.64 0.17 0.00 1.01 -1.11 -1.73 120.40 124.23 2crl s VAL 25 Ca 0.10 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2crl s VAL 25 Cb -0.22 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 2crl s VAL 25 CO -0.03 0.55 1.03 -1.58 0.00 0.00 0.00 175.10 175.07 2crl s GLN 26 N -0.37 4.68 -0.10 2.72 0.74 -1.25 -4.23 119.66 121.85 2crl s GLN 26 Ca 0.08 1.60 -0.10 0.00 0.05 0.00 0.00 55.36 56.99 2crl s GLN 26 Cb -0.12 -3.30 0.03 0.00 1.10 0.00 0.00 33.01 30.71 2crl s GLN 26 CO 0.02 0.21 0.28 -1.64 -0.55 0.00 0.00 175.29 173.61 2crl s MET 27 N -0.47 0.34 0.00 1.67 -1.94 -1.26 -4.86 119.30 112.79 2crl s MET 27 Ca 0.47 0.36 0.00 0.00 -1.71 0.00 0.00 55.69 54.81 2crl s MET 27 Cb -0.27 0.16 0.00 0.00 2.01 0.00 0.00 34.83 36.73 2crl s MET 27 CO 0.33 -0.04 0.00 -2.37 -0.01 0.00 0.00 175.02 172.93 2crl n THR 28 N 2.86 0.00 -4.48 2.05 5.66 -1.26 -4.98 114.28 114.12 2crl n THR 28 Ca -0.13 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.63 2crl n THR 28 Cb 0.58 -0.30 -0.10 0.00 -1.55 0.00 0.00 70.33 68.96 2crl n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2crl h GLN 30 N 2.20 -0.35 -0.71 0.00 5.75 -2.00 -2.21 115.11 117.79 2crl h GLN 30 Ca -0.41 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.20 2crl h GLN 30 Cb 1.25 0.08 -0.10 0.00 1.07 0.00 0.00 27.48 29.78 2crl h GLN 30 CO 0.65 -0.23 -0.36 0.43 -2.65 0.00 0.00 178.83 176.67 2crl n SER 31 N -5.42 -0.63 -0.26 -0.69 7.64 -1.26 0.16 113.62 113.16 2crl n SER 31 Ca -0.01 1.26 0.06 0.00 1.01 0.00 0.00 58.87 61.19 2crl n SER 31 Cb 0.34 -0.22 0.18 0.00 -1.01 0.00 0.00 64.21 63.51 2crl n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2crl h VAL 33 N 0.14 1.32 -0.25 0.00 2.07 0.16 -2.85 116.25 116.84 2crl h VAL 33 Ca 0.43 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.81 2crl h VAL 33 Cb 0.78 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 32.23 2crl h VAL 33 CO -0.65 0.36 -0.29 -0.78 0.02 0.00 0.00 177.57 176.24 2crl h ASP 34 N 0.04 -0.92 0.29 0.57 1.82 0.10 -1.27 116.42 117.06 2crl h ASP 34 Ca 0.03 0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 2crl h ASP 34 Cb 0.61 0.42 -0.02 0.00 0.68 0.00 0.00 39.33 41.03 2crl h ASP 34 CO 0.03 -0.31 -0.32 0.00 -1.61 0.00 0.00 179.24 177.02 2crl h ALA 35 N 0.67 -0.99 -0.96 -0.78 0.00 -1.09 -0.70 119.26 115.41 2crl h ALA 35 Ca 0.13 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.07 2crl h ALA 35 Cb 0.51 0.58 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 2crl h ALA 35 CO -0.42 -1.02 -0.42 0.28 0.00 0.00 0.00 179.25 177.68 2crl h VAL 36 N -0.62 0.01 -0.03 0.00 2.07 -1.30 0.25 116.25 116.63 2crl h VAL 36 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2crl h VAL 36 Cb 0.55 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2crl h VAL 36 CO -0.05 0.00 -0.20 0.03 0.02 0.00 0.00 177.57 177.36 2crl h ARG 37 N -0.02 -0.30 -0.22 1.57 3.08 -1.04 -2.58 114.38 114.87 2crl h ARG 37 Ca 0.31 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.43 2crl h ARG 37 Cb 0.57 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 2crl h ARG 37 CO -0.95 -0.20 -0.15 -0.22 -1.07 0.00 0.00 179.97 177.38 2crl h LYS 38 N -0.31 -0.13 -0.29 0.04 3.64 0.76 1.96 116.57 122.24 2crl h LYS 38 Ca 0.07 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 2crl h LYS 38 Cb 0.40 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2crl h LYS 38 CO -0.21 -0.09 0.51 0.66 -2.27 0.00 0.00 179.45 178.06 2crl h SER 39 N -0.14 0.00 0.00 4.20 4.64 -0.26 0.12 113.55 122.11 2crl h SER 39 Ca 0.13 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 2crl h SER 39 Cb 0.33 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.30 2crl h SER 39 CO -0.31 0.00 -0.56 0.18 -0.87 0.00 0.00 176.83 175.27 2crl n LEU 40 N -3.28 1.35 -4.58 5.97 4.77 0.33 -4.91 117.00 116.66 2crl n LEU 40 Ca 0.05 -2.34 -0.43 0.00 -0.03 0.00 0.00 56.01 53.26 2crl n LEU 40 Cb 0.64 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2crl n LEU 40 CO 0.20 0.67 0.94 -1.58 -1.33 0.00 0.00 177.39 176.29 2crl s GLN 41 N -1.28 3.59 -1.79 3.23 2.00 0.64 -4.10 119.66 121.95 2crl s GLN 41 Ca 0.25 0.31 -0.21 0.00 -2.00 0.00 0.00 55.36 53.72 2crl s GLN 41 Cb 0.25 -3.95 0.19 0.00 0.80 0.00 0.00 33.01 30.31 2crl s GLN 41 CO -0.06 -1.42 0.66 0.41 -0.50 0.00 0.00 175.29 174.39 2crl n GLY 42 N 4.95 -0.41 3.85 2.59 0.00 -1.26 -4.90 105.19 110.00 2crl n GLY 42 Ca 0.09 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.31 4.81 0.31 1.61 1.01 -1.26 -5.00 120.40 118.57 2crl s VAL 43 Ca 0.76 0.79 -0.25 0.00 0.00 0.00 0.00 61.98 63.28 2crl s VAL 43 Cb -0.43 -3.69 -0.16 0.00 0.00 0.00 0.00 36.38 32.10 2crl s VAL 43 CO 0.98 0.05 0.32 0.00 0.00 0.00 0.00 175.10 176.45 2crl n ALA 44 N 0.24 -2.85 0.00 5.51 0.00 -1.26 -0.72 120.51 121.44 2crl n ALA 44 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2crl n ALA 44 Cb 0.52 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 2.14 1.22 3.72 0.00 0.00 -1.26 -4.94 105.19 106.07 2crl n GLY 45 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 4.31 -0.19 1.61 1.01 0.10 -3.80 120.40 123.44 2crl s VAL 46 Ca 0.00 1.72 0.12 0.00 0.00 0.00 0.00 61.98 63.82 2crl s VAL 46 Cb 0.00 -4.10 -0.20 0.00 0.00 0.00 0.00 36.38 32.08 2crl s VAL 46 CO 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 175.10 175.26 2crl n GLN 47 N 3.58 0.91 -3.67 2.72 -0.00 0.06 -4.38 117.38 116.61 2crl n GLN 47 Ca 0.07 0.03 -0.10 0.00 -0.00 0.00 0.00 57.00 57.00 2crl n GLN 47 Cb 0.48 -1.46 -0.03 0.00 -0.00 0.00 0.00 30.24 29.22 2crl n GLN 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2crl s ASP 48 N -5.51 -0.33 -0.21 2.61 1.01 -1.04 -4.96 116.67 108.24 2crl s ASP 48 Ca -0.15 -0.37 -0.16 0.00 0.71 0.00 0.00 52.55 52.58 2crl s ASP 48 Cb 0.06 0.59 0.06 0.00 1.01 0.00 0.00 42.92 44.65 2crl s ASP 48 CO 0.68 -1.05 0.55 -0.69 0.21 0.00 0.00 175.17 174.87 2crl s VAL 49 N -3.84 -0.01 0.07 -1.27 1.01 -1.26 -0.68 120.40 114.42 2crl s VAL 49 Ca 0.07 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.17 2crl s VAL 49 Cb -0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2crl s VAL 49 CO -0.05 0.01 -0.27 -1.61 0.00 0.00 0.00 175.10 173.19 2crl s GLU 50 N 0.88 1.67 -0.04 2.72 0.41 0.04 -4.98 118.70 119.39 2crl s GLU 50 Ca -0.05 -1.19 0.02 0.00 -0.41 0.00 0.00 54.97 53.34 2crl s GLU 50 Cb -0.05 -1.94 0.01 0.00 -1.78 0.00 0.00 34.13 30.37 2crl s GLU 50 CO -0.07 0.49 -0.08 0.08 -0.49 0.00 0.00 175.26 175.19 2crl s VAL 51 N -0.89 0.75 -0.20 2.63 1.01 -1.26 -1.13 120.40 121.31 2crl s VAL 51 Ca 0.12 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2crl s VAL 51 Cb -0.10 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.62 2crl s VAL 51 CO 0.03 0.26 -0.09 -1.00 0.00 0.00 0.00 175.10 174.30 2crl s HIS 52 N 0.63 2.36 -0.08 5.22 3.76 0.82 -4.98 115.29 123.02 2crl s HIS 52 Ca -0.10 -1.59 -0.16 0.00 -0.15 0.00 0.00 55.06 53.06 2crl s HIS 52 Cb -0.13 -1.60 -0.13 0.00 1.11 0.00 0.00 32.58 31.83 2crl s HIS 52 CO 0.01 -0.74 0.58 1.25 -0.85 0.00 0.00 174.74 174.99 2crl h LEU 53 N 7.98 -0.12 -1.30 0.89 5.85 -1.95 0.68 115.31 127.35 2crl h LEU 53 Ca -0.25 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.15 2crl h LEU 53 Cb 1.09 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2crl h LEU 53 CO 0.45 0.51 0.50 -0.08 -0.34 0.00 0.00 178.44 179.49 2crl h GLU 54 N -0.96 0.86 0.00 1.25 4.57 -1.95 -1.20 114.58 117.16 2crl h GLU 54 Ca -0.01 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2crl h GLU 54 Cb 0.47 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2crl h GLU 54 CO 0.02 0.57 -0.78 -0.25 -1.18 0.00 0.00 179.01 177.39 2crl n ASP 55 N -4.46 0.63 -3.76 1.04 8.00 -1.25 -4.97 116.55 111.78 2crl n ASP 55 Ca 0.10 -0.19 -0.26 0.00 0.71 0.00 0.00 54.79 55.16 2crl n ASP 55 Cb 0.16 0.50 0.05 0.00 -0.02 0.00 0.00 41.12 41.80 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 -1.84 -6.09 -4.47 -1.24 1.13 0.22 -4.99 117.38 100.09 2crl n GLN 56 Ca 0.03 0.68 -0.25 0.00 -1.94 0.00 0.00 57.00 55.52 2crl n GLN 56 Cb 0.40 -5.55 -0.10 0.00 0.11 0.00 0.00 30.24 25.10 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 -6.32 1.87 -0.28 -1.09 -1.94 0.11 -2.75 119.30 108.90 2crl s MET 57 Ca 0.46 -1.85 0.00 0.00 -1.71 0.00 0.00 55.69 52.60 2crl s MET 57 Cb -0.22 -1.78 0.16 0.00 2.01 0.00 0.00 34.83 35.00 2crl s MET 57 CO 0.80 0.18 0.47 0.08 -0.01 0.00 0.00 175.02 176.54 2crl s VAL 58 N -2.56 -0.77 0.13 -6.03 1.01 0.24 -0.13 120.40 112.30 2crl s VAL 58 Ca 0.33 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 2crl s VAL 58 Cb 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 2crl s VAL 58 CO 0.17 -0.11 0.42 -0.76 0.00 0.00 0.00 175.10 174.81 2crl s LEU 59 N 2.67 4.28 -0.25 3.92 1.43 -0.28 -1.96 118.68 128.49 2crl s LEU 59 Ca 0.14 0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 53.94 2crl s LEU 59 Cb -0.14 -3.24 0.08 0.00 0.03 0.00 0.00 46.19 42.92 2crl s LEU 59 CO -0.22 0.08 0.08 -0.69 0.23 0.00 0.00 176.35 175.82 2crl s VAL 60 N -1.58 0.53 -1.04 -1.59 1.01 -0.32 -0.78 120.40 116.63 2crl s VAL 60 Ca 0.39 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 2crl s VAL 60 Cb -0.13 -1.25 0.06 0.00 0.00 0.00 0.00 36.38 35.06 2crl s VAL 60 CO 0.21 -0.48 1.46 -1.00 0.00 0.00 0.00 175.10 175.29 2crl s HIS 61 N 1.82 2.59 0.06 5.22 3.76 0.15 -2.40 115.29 126.49 2crl s HIS 61 Ca 0.05 -0.95 0.01 0.00 -0.15 0.00 0.00 55.06 54.01 2crl s HIS 61 Cb -0.17 -4.68 -0.04 0.00 1.11 0.00 0.00 32.58 28.80 2crl s HIS 61 CO -0.20 -1.90 -0.05 -0.08 -0.85 0.00 0.00 174.74 171.66 2crl s THR 62 N 4.78 0.43 -2.07 1.30 -1.32 -1.15 -0.76 115.64 116.85 2crl s THR 62 Ca 0.46 -1.66 0.24 0.00 -1.21 0.00 0.00 61.69 59.52 2crl s THR 62 Cb 0.00 -1.32 0.65 0.00 -1.51 0.00 0.00 72.50 70.32 2crl s THR 62 CO -0.08 -0.82 1.87 0.35 -2.21 0.00 0.00 174.62 173.73 2crl n THR 63 N 0.40 0.02 -3.06 5.08 -2.24 -1.25 -2.74 114.28 110.49 2crl n THR 63 Ca -0.16 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.25 2crl n THR 63 Cb 0.59 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.75 3.98 0.33 3.22 1.43 -1.26 -4.22 118.68 120.40 2crl s LEU 64 Ca 0.36 1.16 -0.28 0.00 -1.03 0.00 0.00 54.13 54.34 2crl s LEU 64 Cb 0.17 -3.99 -0.10 0.00 0.03 0.00 0.00 46.19 42.30 2crl s LEU 64 CO 0.28 -0.27 1.22 -2.16 0.23 0.00 0.00 176.35 175.65 2crl s PRO 65 N -3.35 4.38 0.08 1.29 0.04 -1.26 -4.79 135.00 131.39 2crl s PRO 65 Ca 0.52 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.43 2crl s PRO 65 Cb -0.10 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2crl s PRO 65 CO 0.24 -0.09 0.96 0.45 0.04 0.00 0.00 177.00 178.60 2crl n SER 66 N 0.78 -0.52 -0.29 6.66 2.88 -1.26 0.53 113.62 122.40 2crl n SER 66 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 2crl n SER 66 Cb 0.43 -0.22 0.05 0.00 -0.75 0.00 0.00 64.21 63.72 2crl n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2crl n GLN 67 N -4.22 -0.15 0.30 -1.46 10.64 -1.26 -0.18 117.38 121.05 2crl n GLN 67 Ca 0.01 1.17 -0.17 0.00 -1.83 0.00 0.00 57.00 56.18 2crl n GLN 67 Cb 0.13 -1.74 -0.09 0.00 -0.86 0.00 0.00 30.24 27.68 2crl n GLN 67 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2crl h GLU 68 N 0.00 -0.92 -0.99 2.61 4.39 -0.28 -2.17 114.58 117.22 2crl h GLU 68 Ca 0.29 0.06 0.23 0.00 0.34 0.00 0.00 59.36 60.28 2crl h GLU 68 Cb 0.47 0.21 -0.12 0.00 -0.10 0.00 0.00 28.75 29.21 2crl h GLU 68 CO -0.76 -0.61 0.57 0.28 -1.16 0.00 0.00 179.01 177.33 2crl h VAL 69 N -0.96 0.57 -0.11 3.13 2.07 -0.27 0.52 116.25 121.20 2crl h VAL 69 Ca -0.07 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2crl h VAL 69 Cb 0.81 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2crl h VAL 69 CO -0.01 0.11 0.06 -0.61 0.02 0.00 0.00 177.57 177.14 2crl h GLN 70 N 0.60 0.15 -0.13 1.57 4.15 -0.09 -1.78 115.11 119.58 2crl h GLN 70 Ca 0.62 -0.01 -0.20 0.00 0.77 0.00 0.00 58.65 59.82 2crl h GLN 70 Cb 1.12 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2crl h GLN 70 CO -0.46 0.12 -0.73 0.00 -1.93 0.00 0.00 178.83 175.83 2crl h ALA 71 N 1.91 0.48 -0.53 3.38 0.00 0.64 -2.58 119.26 122.55 2crl h ALA 71 Ca 0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2crl h ALA 71 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2crl h ALA 71 CO -0.01 0.72 -0.08 -0.07 0.00 0.00 0.00 179.25 179.81 2crl h LEU 72 N 0.42 1.00 0.28 0.00 3.38 -0.88 -2.74 115.31 116.77 2crl h LEU 72 Ca -0.04 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2crl h LEU 72 Cb 1.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2crl h LEU 72 CO 0.14 1.11 -0.13 -0.07 0.09 0.00 0.00 178.44 179.57 2crl h LEU 73 N 0.87 -0.32 -1.48 1.67 3.38 -1.38 -2.92 115.31 115.14 2crl h LEU 73 Ca 0.14 -0.14 0.24 0.00 0.09 0.00 0.00 57.88 58.20 2crl h LEU 73 Cb 0.64 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 2crl h LEU 73 CO 0.04 -0.03 0.64 -0.33 0.09 0.00 0.00 178.44 178.86 2crl h GLU 74 N -0.62 0.37 -0.73 1.13 5.08 -1.48 0.13 114.58 118.46 2crl h GLU 74 Ca -0.04 -0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.51 2crl h GLU 74 Cb 0.44 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2crl h GLU 74 CO 0.06 0.24 0.92 0.78 -1.00 0.00 0.00 179.01 180.01 2crl h GLY 75 N 0.38 0.00 -3.09 -3.84 0.00 -1.28 1.31 103.07 96.56 2crl h GLY 75 Ca 0.52 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.64 2crl h GLY 75 CO -0.21 0.00 0.27 -1.30 0.00 0.00 0.00 176.54 175.29 2crl n THR 76 N -3.34 2.22 -1.21 4.70 -2.24 0.03 -4.85 114.28 109.59 2crl n THR 76 Ca 0.16 -1.14 -0.10 0.00 -2.27 0.00 0.00 64.05 60.70 2crl n THR 76 Cb 1.16 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2crl n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2crl n GLY 77 N -0.20 0.95 3.96 3.38 0.00 0.45 -4.93 105.19 108.79 2crl n GLY 77 Ca 0.32 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 2crl n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2crl s ARG 78 N -2.68 2.51 -0.49 1.61 1.81 -1.21 -5.07 118.95 115.43 2crl s ARG 78 Ca 0.00 -0.65 -0.06 0.00 -1.72 0.00 0.00 55.73 53.30 2crl s ARG 78 Cb 0.00 -2.43 0.13 0.00 -0.45 0.00 0.00 34.95 32.20 2crl s ARG 78 CO 0.00 -0.79 0.32 -1.14 -0.68 0.00 0.00 175.30 173.01 2crl s GLN 79 N -4.85 2.34 -0.36 3.54 0.74 -1.26 -4.46 119.66 115.35 2crl s GLN 79 Ca 0.57 -1.97 -0.17 0.00 0.05 0.00 0.00 55.36 53.85 2crl s GLN 79 Cb -0.10 -3.77 -0.00 0.00 1.10 0.00 0.00 33.01 30.24 2crl s GLN 79 CO 0.40 -1.14 0.43 0.00 -0.55 0.00 0.00 175.29 174.42 2crl s ALA 80 N 0.95 3.47 -0.37 1.58 0.00 -1.26 -3.75 121.76 122.38 2crl s ALA 80 Ca 0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 2crl s ALA 80 Cb -0.23 -2.94 0.08 0.00 0.00 0.00 0.00 23.12 20.03 2crl s ALA 80 CO -0.03 -1.24 0.13 0.08 0.00 0.00 0.00 175.76 174.70 2crl s VAL 81 N 2.17 3.32 0.01 0.00 1.01 -0.70 -4.84 120.40 121.37 2crl s VAL 81 Ca 0.14 -1.70 -0.35 0.00 0.00 0.00 0.00 61.98 60.08 2crl s VAL 81 Cb -0.16 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.98 2crl s VAL 81 CO 0.13 -0.44 1.69 -0.11 0.00 0.00 0.00 175.10 176.37 2crl n LEU 82 N 4.65 3.04 -0.11 3.92 7.94 -1.26 -0.08 117.00 135.09 2crl n LEU 82 Ca -0.07 1.04 -0.25 0.00 -1.11 0.00 0.00 56.01 55.62 2crl n LEU 82 Cb 0.42 -1.36 -0.11 0.00 0.53 0.00 0.00 43.42 42.91 2crl n LEU 82 CO 0.31 -0.28 -1.17 0.29 -1.11 0.00 0.00 177.39 175.44 2crl n LYS 83 N 4.83 0.62 -2.65 1.96 4.76 -1.01 -4.87 118.16 121.80 2crl n LYS 83 Ca 0.20 0.30 -0.02 0.00 -2.87 0.00 0.00 58.31 55.92 2crl n LYS 83 Cb 0.27 -1.58 0.03 0.00 -1.84 0.00 0.00 35.03 31.92 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 -5.62 -2.00 -0.68 0.72 0.00 -1.25 -5.10 107.32 93.39 2crl s GLY 84 Ca -0.34 0.93 -0.30 0.00 0.00 0.00 0.00 44.72 45.02 2crl s GLY 84 CO 0.57 4.46 2.50 1.15 0.00 0.00 0.00 173.10 181.78 2crl n MET 85 N 2.67 0.59 -2.77 2.90 0.00 -1.26 -3.17 117.12 116.08 2crl n MET 85 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 57.70 57.80 2crl n MET 85 Cb 0.67 -2.46 0.00 0.00 0.00 0.00 0.00 33.22 31.43 2crl n MET 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2crl n GLY 86 N 6.32 -3.24 3.22 3.17 0.00 -1.00 -4.90 105.19 108.77 2crl n GLY 86 Ca 0.50 0.74 -0.34 0.00 0.00 0.00 0.00 46.02 46.93 2crl n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crl s SER 87 N -1.97 3.68 0.03 1.61 1.04 -1.19 -5.04 113.70 111.86 2crl s SER 87 Ca 0.09 -0.52 -0.16 0.00 0.48 0.00 0.00 55.95 55.84 2crl s SER 87 Cb -0.02 -1.59 -0.08 0.00 0.10 0.00 0.00 66.02 64.42 2crl s SER 87 CO 0.78 0.01 1.24 1.23 0.98 0.00 0.00 173.24 177.48 2crl h GLY 88 N 7.89 -0.72 -6.65 7.32 0.00 -1.95 -3.46 103.07 105.50 2crl h GLY 88 Ca -0.42 0.29 -0.53 0.00 0.00 0.00 0.00 47.33 46.67 2crl h GLY 88 CO 0.61 -0.25 -0.94 -0.18 0.00 0.00 0.00 176.54 175.78 2crl n GLN 89 N -3.61 -1.85 -2.88 4.80 7.27 -1.26 -4.92 117.38 114.94 2crl n GLN 89 Ca -0.07 0.29 -0.33 0.00 0.07 0.00 0.00 57.00 56.96 2crl n GLN 89 Cb 0.22 -3.89 -0.06 0.00 2.41 0.00 0.00 30.24 28.92 2crl n GLN 89 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2crl s LEU 90 N -7.05 3.95 0.14 1.69 1.02 -1.26 -5.08 118.68 112.09 2crl s LEU 90 Ca 0.18 1.56 0.11 0.00 0.02 0.00 0.00 54.13 56.00 2crl s LEU 90 Cb -0.08 -4.40 -0.04 0.00 0.02 0.00 0.00 46.19 41.69 2crl s LEU 90 CO 0.92 -0.33 -0.25 -1.10 0.02 0.00 0.00 176.35 175.60 2crl s GLN 91 N -3.20 1.47 -0.21 1.70 -0.21 -1.26 -5.13 119.66 112.82 2crl s GLN 91 Ca 0.59 -1.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.61 2crl s GLN 91 Cb -0.09 -1.92 0.01 0.00 1.00 0.00 0.00 33.01 32.01 2crl s GLN 91 CO 0.16 0.45 -0.13 1.21 -2.12 0.00 0.00 175.29 174.86 2crl s ASN 92 N -2.16 3.71 -0.03 5.90 2.47 -1.26 -5.10 114.94 118.47 2crl s ASN 92 Ca 0.15 -0.64 -0.03 0.00 0.42 0.00 0.00 52.86 52.77 2crl s ASN 92 Cb -0.10 -1.59 0.01 0.00 -1.45 0.00 0.00 41.25 38.13 2crl s ASN 92 CO 0.07 -0.03 0.08 -0.94 -3.72 0.00 0.00 177.10 172.56 2crl s SER 93 N 1.34 -0.08 0.00 -4.21 1.04 -1.26 -5.03 113.70 105.50 2crl s SER 93 Ca 0.04 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2crl s SER 93 Cb -0.14 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2crl s SER 93 CO -0.08 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2crl n GLY 94 N 3.19 0.35 3.71 7.32 0.00 -1.26 -5.11 105.19 113.39 2crl n GLY 94 Ca -0.14 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 4.32 -0.67 1.61 0.04 -1.26 -4.87 135.00 134.17 2crl s PRO 95 Ca 0.00 2.03 -0.34 0.00 0.04 0.00 0.00 61.00 62.73 2crl s PRO 95 Cb 0.00 -3.33 -0.16 0.00 0.04 0.00 0.00 34.50 31.04 2crl s PRO 95 CO 0.00 -0.45 2.43 -1.13 0.04 0.00 0.00 177.00 177.88 2crl n SER 96 N 4.27 1.14 -0.03 6.66 3.41 -1.26 -4.74 113.62 123.07 2crl n SER 96 Ca 0.12 0.21 -0.07 0.00 -0.26 0.00 0.00 58.87 58.87 2crl n SER 96 Cb 0.43 -1.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.25 2crl n SER 96 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2crl n SER 97 N 10.71 1.46 0.00 4.04 2.88 -1.26 -5.35 113.62 126.10 2crl n SER 97 Ca 0.53 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 2crl n SER 97 Cb 0.15 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 2crl n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42