#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 5.16 0.11 1.61 0.15 -1.26 -5.09 113.70 114.39 2crl s SER 2 Ca 0.00 -0.92 0.08 0.00 0.70 0.00 0.00 55.95 55.81 2crl s SER 2 Cb 0.00 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 2crl s SER 2 CO 0.00 -0.25 -0.19 -0.55 1.20 0.00 0.00 173.24 173.45 2crl s SER 3 N 1.44 2.37 -0.24 5.45 0.15 -1.26 -5.15 113.70 116.48 2crl s SER 3 Ca 0.00 -0.73 -0.32 0.00 0.70 0.00 0.00 55.95 55.61 2crl s SER 3 Cb -0.18 -0.12 0.16 0.00 -1.71 0.00 0.00 66.02 64.17 2crl s SER 3 CO 0.02 -0.00 1.26 -0.83 1.20 0.00 0.00 173.24 174.88 2crl s GLY 4 N -2.10 -0.12 -0.16 9.45 0.00 -1.26 -5.16 107.32 107.97 2crl s GLY 4 Ca 0.07 2.22 -0.07 0.00 0.00 0.00 0.00 44.72 46.95 2crl s GLY 4 CO 0.04 0.87 0.35 -1.35 0.00 0.00 0.00 173.10 173.01 2crl s SER 5 N -1.50 -0.18 -0.03 1.64 1.04 -1.26 -5.16 113.70 108.26 2crl s SER 5 Ca 0.08 0.79 0.06 0.00 0.48 0.00 0.00 55.95 57.36 2crl s SER 5 Cb -0.01 0.87 -0.01 0.00 0.10 0.00 0.00 66.02 66.97 2crl s SER 5 CO -0.05 -0.21 -0.22 -0.94 0.98 0.00 0.00 173.24 172.80 2crl s SER 6 N 2.00 2.61 0.00 7.02 1.04 -1.26 -5.07 113.70 120.04 2crl s SER 6 Ca -0.04 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2crl s SER 6 Cb -0.11 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.61 2crl s SER 6 CO -0.11 0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2crl n GLY 7 N 2.67 0.33 3.82 7.32 0.00 -1.26 -5.01 105.19 113.06 2crl n GLY 7 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2crl n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2crl n MET 8 N -0.62 -5.41 -3.82 1.61 0.00 -1.26 -4.93 117.12 102.68 2crl n MET 8 Ca 0.00 0.61 -0.31 0.00 0.00 0.00 0.00 57.70 58.00 2crl n MET 8 Cb 0.00 -5.39 -0.10 0.00 0.00 0.00 0.00 33.22 27.73 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 -3.44 3.90 0.45 3.04 0.00 -1.26 -5.08 121.76 119.37 2crl s ALA 9 Ca 0.42 -3.77 0.01 0.00 0.00 0.00 0.00 51.96 48.62 2crl s ALA 9 Cb -0.21 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2crl s ALA 9 CO 0.82 -2.11 0.67 0.45 0.00 0.00 0.00 175.76 175.59 2crl s SER 10 N -0.87 5.77 0.35 0.00 0.15 -1.26 -5.12 113.70 112.71 2crl s SER 10 Ca 0.25 0.20 0.09 0.00 0.70 0.00 0.00 55.95 57.18 2crl s SER 10 Cb -0.08 -1.41 -0.05 0.00 -1.71 0.00 0.00 66.02 62.77 2crl s SER 10 CO -0.13 -0.74 0.06 -1.81 1.20 0.00 0.00 173.24 171.82 2crl s ASP 11 N -4.24 4.32 0.18 5.45 1.01 -1.26 -5.15 116.67 116.98 2crl s ASP 11 Ca 0.49 -0.96 -0.23 0.00 0.71 0.00 0.00 52.55 52.56 2crl s ASP 11 Cb -0.10 -0.57 0.05 0.00 1.01 0.00 0.00 42.92 43.31 2crl s ASP 11 CO 0.37 -0.29 0.75 -0.94 0.21 0.00 0.00 175.17 175.28 2crl s SER 12 N -3.77 -0.35 0.00 0.27 1.04 -1.26 -5.03 113.70 104.61 2crl s SER 12 Ca 0.36 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2crl s SER 12 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2crl s SER 12 CO 0.20 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2crl n GLY 13 N -0.41 0.93 3.40 7.32 0.00 -1.26 -5.08 105.19 110.09 2crl n GLY 13 Ca -0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 2crl n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crl s ASN 14 N -1.82 6.18 0.20 1.61 2.20 -1.26 -5.04 114.94 117.02 2crl s ASN 14 Ca 0.00 -1.26 -0.33 0.00 -0.94 0.00 0.00 52.86 50.33 2crl s ASN 14 Cb 0.00 -2.24 -0.13 0.00 -2.00 0.00 0.00 41.25 36.88 2crl s ASN 14 CO 0.00 -0.82 1.57 0.00 -2.94 0.00 0.00 177.10 174.91 2crl n GLN 15 N 5.69 2.29 -3.97 3.55 0.00 -1.26 -4.97 117.38 118.70 2crl n GLN 15 Ca -0.10 0.82 -0.34 0.00 0.00 0.00 0.00 57.00 57.38 2crl n GLN 15 Cb 0.44 -2.59 -0.14 0.00 0.00 0.00 0.00 30.24 27.95 2crl n GLN 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2crl s GLY 16 N 0.80 1.70 -0.07 2.61 0.00 -1.26 -5.08 107.32 106.02 2crl s GLY 16 Ca 0.75 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 2crl s GLY 16 CO 0.40 0.64 0.15 -1.08 0.00 0.00 0.00 173.10 173.21 2crl s THR 17 N 1.21 -0.07 -0.25 0.90 -1.32 -1.26 -5.13 115.64 109.72 2crl s THR 17 Ca -0.06 0.20 -0.16 0.00 -1.21 0.00 0.00 61.69 60.46 2crl s THR 17 Cb -0.19 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.52 2crl s THR 17 CO -0.03 0.08 0.40 -0.22 -2.21 0.00 0.00 174.62 172.64 2crl s LEU 18 N 1.27 4.07 0.08 9.08 0.20 -1.26 -4.30 118.68 127.81 2crl s LEU 18 Ca -0.08 0.38 0.03 0.00 0.69 0.00 0.00 54.13 55.14 2crl s LEU 18 Cb -0.12 -2.48 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 2crl s LEU 18 CO -0.06 -0.18 -0.09 0.00 -0.29 0.00 0.00 176.35 175.74 2crl s THR 20 N -2.30 4.64 -0.19 0.00 2.01 -1.26 -3.23 115.64 115.31 2crl s THR 20 Ca 0.02 -0.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 2crl s THR 20 Cb -0.04 -4.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 2crl s THR 20 CO -0.01 -0.93 0.92 -0.76 -0.69 0.00 0.00 174.62 173.16 2crl s LEU 21 N 3.27 4.15 -0.40 4.42 1.43 -1.08 -3.20 118.68 127.27 2crl s LEU 21 Ca 0.23 1.27 -0.19 0.00 -1.03 0.00 0.00 54.13 54.41 2crl s LEU 21 Cb -0.16 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.71 2crl s LEU 21 CO 0.16 -0.51 0.54 -1.61 0.23 0.00 0.00 176.35 175.16 2crl s GLU 22 N 2.57 3.38 0.18 1.70 2.02 -1.26 -2.53 118.70 124.75 2crl s GLU 22 Ca 0.41 -0.38 0.10 0.00 0.02 0.00 0.00 54.97 55.12 2crl s GLU 22 Cb -0.16 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 2crl s GLU 22 CO 0.10 -0.82 -0.16 -0.06 0.02 0.00 0.00 175.26 174.34 2crl s PHE 23 N 2.48 2.49 -0.52 1.61 0.08 -1.00 -1.35 117.98 121.77 2crl s PHE 23 Ca 0.18 -0.28 -0.05 0.00 0.12 0.00 0.00 56.93 56.91 2crl s PHE 23 Cb -0.15 -1.23 0.14 0.00 -0.57 0.00 0.00 43.02 41.20 2crl s PHE 23 CO 0.15 0.50 0.35 0.00 -0.10 0.00 0.00 175.22 176.13 2crl s ALA 24 N -1.67 3.41 -0.13 5.36 0.00 0.18 -1.15 121.76 127.77 2crl s ALA 24 Ca 0.23 -2.84 -0.06 0.00 0.00 0.00 0.00 51.96 49.28 2crl s ALA 24 Cb -0.08 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2crl s ALA 24 CO 0.13 -1.96 0.09 0.08 0.00 0.00 0.00 175.76 174.09 2crl s VAL 25 N 0.70 5.02 -0.33 0.00 1.01 -0.87 -2.14 120.40 123.80 2crl s VAL 25 Ca 0.11 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 2crl s VAL 25 Cb -0.22 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2crl s VAL 25 CO -0.03 0.56 0.78 -1.58 0.00 0.00 0.00 175.10 174.82 2crl s GLN 26 N -0.51 3.88 0.41 2.72 2.00 -1.26 -4.39 119.66 122.50 2crl s GLN 26 Ca 0.11 0.46 0.07 0.00 -2.00 0.00 0.00 55.36 54.00 2crl s GLN 26 Cb -0.12 -3.76 -0.07 0.00 0.80 0.00 0.00 33.01 29.86 2crl s GLN 26 CO 0.02 -0.74 0.07 -1.64 -0.50 0.00 0.00 175.29 172.50 2crl s MET 27 N 2.99 2.06 0.07 1.67 -1.94 -1.26 -4.92 119.30 117.97 2crl s MET 27 Ca 0.31 -1.99 0.00 0.00 -1.71 0.00 0.00 55.69 52.31 2crl s MET 27 Cb -0.14 -1.78 0.00 0.00 2.01 0.00 0.00 34.83 34.92 2crl s MET 27 CO 0.14 -0.06 0.00 0.25 -0.01 0.00 0.00 175.02 175.34 2crl n THR 28 N -1.06 0.27 -4.37 2.05 -2.24 -1.26 -5.07 114.28 102.59 2crl n THR 28 Ca -0.04 0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.62 2crl n THR 28 Cb 0.66 -1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 67.74 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 0.00 -0.14 -0.83 0.00 -0.00 -2.00 -1.91 115.11 110.23 2crl h GLN 30 Ca -0.26 0.01 0.16 0.00 -0.00 0.00 0.00 58.65 58.55 2crl h GLN 30 Cb 1.14 0.03 -0.15 0.00 0.00 0.00 0.00 27.48 28.50 2crl h GLN 30 CO 0.40 -0.09 -0.24 0.43 0.00 0.00 0.00 178.83 179.33 2crl n SER 31 N -5.36 -0.36 -0.30 -0.69 7.64 -1.26 0.20 113.62 113.49 2crl n SER 31 Ca 0.01 1.43 0.03 0.00 1.01 0.00 0.00 58.87 61.35 2crl n SER 31 Cb 0.28 -0.41 0.17 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.86 1.23 -0.14 0.00 2.07 0.24 -2.25 116.25 118.26 2crl h VAL 33 Ca 0.40 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.23 2crl h VAL 33 Cb 0.32 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2crl h VAL 33 CO -0.23 0.28 -0.00 0.44 0.02 0.00 0.00 177.57 178.08 2crl h ASP 34 N 0.82 -0.05 0.72 0.57 3.32 -0.30 -1.58 116.42 119.91 2crl h ASP 34 Ca 0.20 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2crl h ASP 34 Cb 0.21 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2crl h ASP 34 CO -0.02 -0.01 -0.47 0.00 -1.72 0.00 0.00 179.24 177.03 2crl h ALA 35 N 1.12 -1.24 -0.80 3.45 0.00 -1.25 0.37 119.26 120.92 2crl h ALA 35 Ca 0.07 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.93 2crl h ALA 35 Cb 0.08 0.60 -0.14 0.00 0.00 0.00 0.00 17.79 18.33 2crl h ALA 35 CO -0.11 -1.21 0.03 0.28 0.00 0.00 0.00 179.25 178.24 2crl h VAL 36 N -1.12 0.30 0.69 0.00 2.07 -1.35 0.21 116.25 117.05 2crl h VAL 36 Ca -0.10 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2crl h VAL 36 Cb 0.90 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2crl h VAL 36 CO 0.08 0.02 -0.33 0.03 0.02 0.00 0.00 177.57 177.39 2crl h ARG 37 N 0.11 -0.89 -0.95 1.57 3.08 -1.05 -2.83 114.38 113.42 2crl h ARG 37 Ca 0.45 0.06 0.21 0.00 0.07 0.00 0.00 59.98 60.77 2crl h ARG 37 Cb 0.81 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.99 2crl h ARG 37 CO -0.69 -0.57 0.62 -0.22 -1.07 0.00 0.00 179.97 178.03 2crl h LYS 38 N -1.04 0.45 -0.09 0.04 3.11 0.09 1.74 116.57 120.88 2crl h LYS 38 Ca -0.09 -0.03 0.03 0.00 -2.81 0.00 0.00 60.65 57.74 2crl h LYS 38 Cb 0.74 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.86 2crl h LYS 38 CO 0.16 0.30 0.07 1.03 -2.81 0.00 0.00 179.45 178.20 2crl h SER 39 N 0.47 0.00 0.00 4.20 0.87 -0.38 -2.60 113.55 116.11 2crl h SER 39 Ca 0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 2crl h SER 39 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2crl h SER 39 CO -0.23 0.00 -0.28 0.18 -0.53 0.00 0.00 176.83 175.98 2crl n LEU 40 N -4.21 1.04 -4.62 2.23 4.77 0.14 -4.92 117.00 111.42 2crl n LEU 40 Ca -0.01 -1.92 -0.43 0.00 -0.03 0.00 0.00 56.01 53.62 2crl n LEU 40 Cb 0.18 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2crl n LEU 40 CO 0.31 0.45 1.01 -1.58 -1.33 0.00 0.00 177.39 176.26 2crl s GLN 41 N -1.27 3.89 -1.51 3.23 0.74 0.55 -3.75 119.66 121.54 2crl s GLN 41 Ca 0.14 0.86 -0.13 0.00 0.05 0.00 0.00 55.36 56.28 2crl s GLN 41 Cb 0.12 -3.83 0.07 0.00 1.10 0.00 0.00 33.01 30.48 2crl s GLN 41 CO 0.01 -1.15 1.02 0.41 -0.55 0.00 0.00 175.29 175.04 2crl n GLY 42 N 4.36 -0.50 3.80 2.59 0.00 -1.26 -4.94 105.19 109.24 2crl n GLY 42 Ca 0.12 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.30 5.11 -0.25 1.61 1.01 -1.25 -4.99 120.40 118.33 2crl s VAL 43 Ca 0.65 0.81 -0.42 0.00 0.00 0.00 0.00 61.98 63.02 2crl s VAL 43 Cb -0.32 -3.71 -0.19 0.00 0.00 0.00 0.00 36.38 32.15 2crl s VAL 43 CO 0.82 0.50 1.29 0.00 0.00 0.00 0.00 175.10 177.71 2crl n ALA 44 N 2.43 -2.34 0.00 5.51 0.00 -1.26 -0.73 120.51 124.12 2crl n ALA 44 Ca -0.12 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2crl n ALA 44 Cb 0.52 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 2.69 2.88 3.76 0.00 0.00 -1.26 -5.03 105.19 108.23 2crl n GLY 45 Ca 0.25 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 2.52 -0.10 1.61 1.01 0.10 -4.02 120.40 121.52 2crl s VAL 46 Ca 0.00 0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.57 2crl s VAL 46 Cb 0.00 -3.31 -0.14 0.00 0.00 0.00 0.00 36.38 32.93 2crl s VAL 46 CO 0.00 0.10 0.05 0.00 0.00 0.00 0.00 175.10 175.25 2crl n GLN 47 N 1.38 2.09 -3.44 2.72 10.64 0.80 -4.58 117.38 127.00 2crl n GLN 47 Ca 0.03 -0.01 -0.11 0.00 -1.83 0.00 0.00 57.00 55.08 2crl n GLN 47 Cb 0.40 -1.28 -0.02 0.00 -0.86 0.00 0.00 30.24 28.48 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 -4.30 -0.52 -0.17 2.61 1.01 -0.90 -5.01 116.67 109.38 2crl s ASP 48 Ca -0.05 0.03 -0.12 0.00 0.71 0.00 0.00 52.55 53.12 2crl s ASP 48 Cb 0.04 0.54 0.05 0.00 1.01 0.00 0.00 42.92 44.56 2crl s ASP 48 CO 0.45 -0.87 0.44 0.54 0.21 0.00 0.00 175.17 175.94 2crl s VAL 49 N -3.47 -0.01 -0.07 -1.27 0.11 -1.26 0.28 120.40 114.70 2crl s VAL 49 Ca 0.01 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.15 2crl s VAL 49 Cb -0.01 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.21 2crl s VAL 49 CO -0.11 0.02 -0.16 -1.61 -3.33 0.00 0.00 175.10 169.91 2crl s GLU 50 N 0.99 2.07 -0.23 1.54 0.41 0.69 -5.00 118.70 119.16 2crl s GLU 50 Ca -0.06 -0.58 -0.04 0.00 -0.41 0.00 0.00 54.97 53.89 2crl s GLU 50 Cb -0.06 -1.67 0.00 0.00 -1.78 0.00 0.00 34.13 30.62 2crl s GLU 50 CO -0.08 0.11 -0.04 0.08 -0.49 0.00 0.00 175.26 174.84 2crl s VAL 51 N 0.44 3.28 -0.46 2.63 1.01 -1.26 -0.02 120.40 126.02 2crl s VAL 51 Ca -0.13 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2crl s VAL 51 Cb -0.15 -2.55 0.12 0.00 0.00 0.00 0.00 36.38 33.79 2crl s VAL 51 CO 0.05 0.33 0.31 -1.00 0.00 0.00 0.00 175.10 174.79 2crl s HIS 52 N 1.44 3.49 0.05 5.22 3.76 0.80 -4.92 115.29 125.12 2crl s HIS 52 Ca 0.04 -2.08 0.24 0.00 -0.15 0.00 0.00 55.06 53.11 2crl s HIS 52 Cb -0.15 -3.41 0.83 0.00 1.11 0.00 0.00 32.58 30.96 2crl s HIS 52 CO -0.03 -0.98 1.78 1.25 -0.85 0.00 0.00 174.74 175.91 2crl h LEU 53 N 8.27 0.00 -0.74 0.89 5.85 -1.95 0.83 115.31 128.45 2crl h LEU 53 Ca -0.17 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 2crl h LEU 53 Cb 1.06 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2crl h LEU 53 CO 0.80 0.21 0.22 -0.08 -0.34 0.00 0.00 178.44 179.25 2crl h GLU 54 N 0.00 1.17 -0.13 1.25 4.81 -1.93 -3.06 114.58 116.68 2crl h GLU 54 Ca -0.00 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 2crl h GLU 54 Cb 0.81 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 2crl h GLU 54 CO 0.03 1.00 -0.23 -0.25 -0.73 0.00 0.00 179.01 178.83 2crl n ASP 55 N -4.24 2.27 -3.52 1.04 9.92 -1.17 -4.96 116.55 115.89 2crl n ASP 55 Ca 0.06 -3.63 -0.26 0.00 -0.53 0.00 0.00 54.79 50.43 2crl n ASP 55 Cb 0.24 -0.55 -0.05 0.00 -0.64 0.00 0.00 41.12 40.13 2crl n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crl n GLN 56 N -1.13 -1.30 -4.15 -1.24 1.13 -0.46 -4.87 117.38 105.37 2crl n GLN 56 Ca 0.23 0.08 -0.28 0.00 -1.94 0.00 0.00 57.00 55.10 2crl n GLN 56 Cb 0.81 -3.89 -0.07 0.00 0.11 0.00 0.00 30.24 27.19 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 -5.65 2.57 -0.16 -1.09 -1.94 0.16 -2.04 119.30 111.16 2crl s MET 57 Ca 0.50 -0.96 -0.05 0.00 -1.71 0.00 0.00 55.69 53.48 2crl s MET 57 Cb -0.29 -2.49 0.06 0.00 2.01 0.00 0.00 34.83 34.11 2crl s MET 57 CO 0.62 0.49 0.08 0.08 -0.01 0.00 0.00 175.02 176.28 2crl s VAL 58 N -1.59 -0.06 -0.08 -6.03 1.01 -0.30 -0.14 120.40 113.22 2crl s VAL 58 Ca 0.28 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 2crl s VAL 58 Cb -0.10 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 2crl s VAL 58 CO 0.20 -0.22 0.35 -0.76 0.00 0.00 0.00 175.10 174.67 2crl s LEU 59 N 2.13 4.37 -0.23 3.92 1.43 0.97 -2.37 118.68 128.89 2crl s LEU 59 Ca 0.02 0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 53.87 2crl s LEU 59 Cb -0.16 -2.48 0.06 0.00 0.03 0.00 0.00 46.19 43.65 2crl s LEU 59 CO -0.08 0.22 -0.01 -0.69 0.23 0.00 0.00 176.35 176.02 2crl s VAL 60 N -0.38 1.18 -0.79 -1.59 1.01 -1.05 -0.22 120.40 118.56 2crl s VAL 60 Ca 0.21 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 2crl s VAL 60 Cb -0.15 -1.55 0.07 0.00 0.00 0.00 0.00 36.38 34.75 2crl s VAL 60 CO 0.09 -0.17 1.14 -1.00 0.00 0.00 0.00 175.10 175.16 2crl s HIS 61 N 1.55 2.65 0.07 5.22 3.76 0.14 -2.64 115.29 126.05 2crl s HIS 61 Ca -0.03 -0.66 -0.06 0.00 -0.15 0.00 0.00 55.06 54.16 2crl s HIS 61 Cb -0.18 -4.43 -0.01 0.00 1.11 0.00 0.00 32.58 29.06 2crl s HIS 61 CO -0.08 -1.76 0.12 -0.08 -0.85 0.00 0.00 174.74 172.09 2crl s THR 62 N 4.30 0.16 -1.97 1.30 -1.32 -1.20 -0.14 115.64 116.77 2crl s THR 62 Ca 0.31 -1.32 0.29 0.00 -1.21 0.00 0.00 61.69 59.77 2crl s THR 62 Cb -0.10 -1.29 0.59 0.00 -1.51 0.00 0.00 72.50 70.18 2crl s THR 62 CO 0.04 -0.73 1.91 0.35 -2.21 0.00 0.00 174.62 173.98 2crl n THR 63 N 0.15 0.00 -2.86 5.08 -2.24 -1.26 -2.75 114.28 110.41 2crl n THR 63 Ca -0.16 -0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 61.21 2crl n THR 63 Cb 0.61 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.23 3.88 0.27 3.22 1.43 -1.26 -4.51 118.68 119.49 2crl s LEU 64 Ca 0.36 1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 54.48 2crl s LEU 64 Cb 0.21 -4.18 -0.10 0.00 0.03 0.00 0.00 46.19 42.15 2crl s LEU 64 CO 0.41 -0.37 1.25 -2.16 0.23 0.00 0.00 176.35 175.72 2crl s PRO 65 N -3.55 4.44 0.32 1.29 0.04 -1.26 -4.80 135.00 131.48 2crl s PRO 65 Ca 0.55 2.06 0.20 0.00 0.04 0.00 0.00 61.00 63.84 2crl s PRO 65 Cb -0.10 -3.14 1.15 0.00 0.04 0.00 0.00 34.50 32.45 2crl s PRO 65 CO 0.25 -0.11 1.31 -1.13 0.04 0.00 0.00 177.00 177.36 2crl n SER 66 N 1.50 0.27 -0.16 6.66 3.41 -1.26 0.19 113.62 124.22 2crl n SER 66 Ca 0.02 1.33 -0.03 0.00 -0.26 0.00 0.00 58.87 59.92 2crl n SER 66 Cb 0.43 -0.65 0.06 0.00 -0.26 0.00 0.00 64.21 63.79 2crl n SER 66 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2crl h GLN 67 N 0.00 0.37 0.48 4.33 4.20 -2.00 0.22 115.11 122.72 2crl h GLN 67 Ca 0.71 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.38 2crl h GLN 67 Cb 1.98 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.68 2crl h GLN 67 CO -0.59 0.24 -0.23 1.49 -0.67 0.00 0.00 178.83 179.08 2crl h GLU 68 N 0.38 -0.62 -0.22 1.46 4.81 0.16 -3.14 114.58 117.41 2crl h GLU 68 Ca 0.23 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 2crl h GLU 68 Cb 0.23 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 2crl h GLU 68 CO -0.22 -0.36 -0.09 0.28 -0.73 0.00 0.00 179.01 177.89 2crl h VAL 69 N -0.76 0.71 -0.91 0.32 2.07 -1.26 -2.64 116.25 113.78 2crl h VAL 69 Ca -0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.59 2crl h VAL 69 Cb 0.55 0.71 -0.14 0.00 -1.52 0.00 0.00 31.29 30.89 2crl h VAL 69 CO 0.11 0.00 -0.38 1.67 0.02 0.00 0.00 177.57 178.99 2crl n GLN 70 N -5.24 -0.24 -0.11 1.57 7.27 0.76 0.53 117.38 121.91 2crl n GLN 70 Ca -0.02 1.39 -0.05 0.00 0.07 0.00 0.00 57.00 58.40 2crl n GLN 70 Cb 0.17 -2.06 0.03 0.00 2.41 0.00 0.00 30.24 30.78 2crl n GLN 70 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2crl h ALA 71 N 1.15 0.39 -0.92 1.69 0.00 -1.43 -0.35 119.26 119.79 2crl h ALA 71 Ca 0.29 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.42 2crl h ALA 71 Cb 0.52 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2crl h ALA 71 CO -0.89 -0.35 0.59 -0.07 0.00 0.00 0.00 179.25 178.52 2crl h LEU 72 N 0.16 0.75 -0.01 0.00 3.38 0.20 -1.59 115.31 118.20 2crl h LEU 72 Ca 0.19 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2crl h LEU 72 Cb 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2crl h LEU 72 CO -0.27 0.39 -0.02 -0.07 0.09 0.00 0.00 178.44 178.57 2crl h LEU 73 N 0.80 0.03 -2.07 1.67 3.38 0.07 -3.04 115.31 116.16 2crl h LEU 73 Ca 0.45 -0.52 0.10 0.00 0.09 0.00 0.00 57.88 58.01 2crl h LEU 73 Cb 0.61 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2crl h LEU 73 CO -0.22 0.55 0.35 -0.33 0.09 0.00 0.00 178.44 178.88 2crl h GLU 74 N -0.48 0.00 -1.06 1.13 5.08 -0.47 -1.28 114.58 117.49 2crl h GLU 74 Ca 0.00 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.66 2crl h GLU 74 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2crl h GLU 74 CO 0.00 0.00 0.75 0.78 -1.00 0.00 0.00 179.01 179.55 2crl h GLY 75 N 0.00 0.17 -1.38 -3.84 0.00 -1.19 0.73 103.07 97.55 2crl h GLY 75 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2crl h GLY 75 CO -0.00 -0.02 0.00 -1.30 0.00 0.00 0.00 176.54 175.22 2crl n THR 76 N -4.27 0.44 -2.63 4.70 -2.24 -0.48 -4.83 114.28 104.96 2crl n THR 76 Ca 0.23 -0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 2crl n THR 76 Cb 1.09 -0.44 0.01 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.12 -0.43 3.62 3.38 0.00 0.25 -4.99 105.19 107.14 2crl n GLY 77 Ca 0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.26 1.97 -0.34 1.61 0.52 -1.19 -5.09 118.95 111.18 2crl s ARG 78 Ca 0.13 -2.03 -0.05 0.00 -0.52 0.00 0.00 55.73 53.26 2crl s ARG 78 Cb -0.06 -1.71 0.05 0.00 0.52 0.00 0.00 34.95 33.76 2crl s ARG 78 CO 0.15 -0.02 0.10 -1.14 0.02 0.00 0.00 175.30 174.42 2crl s GLN 79 N -3.72 2.48 -0.38 3.54 0.74 -1.26 -4.28 119.66 116.79 2crl s GLN 79 Ca 0.35 -1.31 -0.15 0.00 0.05 0.00 0.00 55.36 54.31 2crl s GLN 79 Cb 0.07 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.77 2crl s GLN 79 CO 0.18 -0.73 0.31 0.00 -0.55 0.00 0.00 175.29 174.51 2crl s ALA 80 N 1.33 3.48 -0.35 1.58 0.00 -1.26 -4.16 121.76 122.37 2crl s ALA 80 Ca -0.01 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.34 2crl s ALA 80 Cb -0.20 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.10 2crl s ALA 80 CO 0.01 -1.26 0.20 0.08 0.00 0.00 0.00 175.76 174.79 2crl s VAL 81 N 1.81 4.73 -0.03 0.00 1.01 -0.91 -4.81 120.40 122.20 2crl s VAL 81 Ca 0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 2crl s VAL 81 Cb -0.18 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 2crl s VAL 81 CO 0.11 -0.13 1.72 -0.22 0.00 0.00 0.00 175.10 176.58 2crl s LEU 82 N 1.60 4.35 -0.13 3.92 2.96 -1.26 0.52 118.68 130.63 2crl s LEU 82 Ca 0.04 2.34 -0.15 0.00 -0.22 0.00 0.00 54.13 56.13 2crl s LEU 82 Cb -0.18 -3.53 -0.25 0.00 0.50 0.00 0.00 46.19 42.72 2crl s LEU 82 CO 0.07 -0.95 0.43 0.11 -1.32 0.00 0.00 176.35 174.69 2crl h LYS 83 N 9.72 0.19 0.00 1.98 1.79 -1.55 -3.47 116.57 125.23 2crl h LYS 83 Ca -0.42 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 57.73 2crl h LYS 83 Cb 1.19 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 2crl h LYS 83 CO 0.95 1.16 0.00 0.41 -1.08 0.00 0.00 179.45 180.89 2crl n GLY 84 N 1.74 0.11 3.76 3.86 0.00 -1.23 -5.07 105.19 108.37 2crl n GLY 84 Ca -0.28 0.72 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 2crl n GLY 84 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2crl s MET 85 N 0.00 4.61 0.00 1.61 0.23 -1.26 -4.00 119.30 120.49 2crl s MET 85 Ca 0.00 1.22 0.00 0.00 -1.03 0.00 0.00 55.69 55.88 2crl s MET 85 Cb 0.00 -3.29 0.00 0.00 -1.53 0.00 0.00 34.83 30.01 2crl s MET 85 CO 0.00 0.49 0.00 0.41 -2.03 0.00 0.00 175.02 173.89 2crl n GLY 86 N 1.76 2.20 3.40 3.16 0.00 -1.19 -4.86 105.19 109.65 2crl n GLY 86 Ca -0.04 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.28 1.92 0.00 1.61 1.04 -1.26 -4.96 113.70 109.76 2crl s SER 87 Ca 0.00 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.00 2crl s SER 87 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2crl s SER 87 CO 0.00 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2crl n GLY 88 N -0.62 1.66 3.93 7.32 0.00 -1.26 -4.74 105.19 111.47 2crl n GLY 88 Ca -0.02 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2crl n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2crl s GLN 89 N -0.03 3.54 -0.03 1.61 -1.52 -1.26 -4.98 119.66 116.99 2crl s GLN 89 Ca 0.00 -0.24 -0.04 0.00 -1.95 0.00 0.00 55.36 53.14 2crl s GLN 89 Cb 0.00 -2.71 -0.04 0.00 -0.22 0.00 0.00 33.01 30.04 2crl s GLN 89 CO 0.00 0.25 0.17 -0.51 -0.25 0.00 0.00 175.29 174.95 2crl s LEU 90 N -3.78 4.36 -0.04 2.90 1.43 -1.26 -5.10 118.68 117.19 2crl s LEU 90 Ca 0.41 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2crl s LEU 90 Cb -0.10 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.66 2crl s LEU 90 CO 0.32 0.29 0.05 -1.58 0.23 0.00 0.00 176.35 175.66 2crl s GLN 91 N -1.74 0.04 0.26 1.70 2.00 -1.26 -5.15 119.66 115.51 2crl s GLN 91 Ca 0.25 0.30 0.08 0.00 -2.00 0.00 0.00 55.36 53.99 2crl s GLN 91 Cb -0.12 -0.54 -0.04 0.00 0.80 0.00 0.00 33.01 33.10 2crl s GLN 91 CO 0.15 -0.30 0.15 0.54 -0.50 0.00 0.00 175.29 175.34 2crl s ASN 92 N 1.96 5.28 -0.27 6.67 2.20 -1.26 -5.13 114.94 124.39 2crl s ASN 92 Ca 0.03 -0.35 -0.24 0.00 -0.94 0.00 0.00 52.86 51.35 2crl s ASN 92 Cb -0.12 -1.26 0.09 0.00 -2.00 0.00 0.00 41.25 37.96 2crl s ASN 92 CO -0.03 -0.04 0.83 -0.55 -2.94 0.00 0.00 177.10 174.37 2crl s SER 93 N -3.81 -0.65 0.00 3.54 0.15 -1.26 -5.11 113.70 106.56 2crl s SER 93 Ca 0.33 1.24 0.00 0.00 0.70 0.00 0.00 55.95 58.22 2crl s SER 93 Cb -0.07 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 2crl s SER 93 CO 0.24 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2crl n GLY 94 N 2.61 -0.05 2.71 9.45 0.00 -1.26 -5.17 105.19 113.47 2crl n GLY 94 Ca -0.14 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.68 -0.10 1.61 -0.04 -1.26 -5.05 135.00 127.48 2crl n PRO 95 Ca 0.00 -1.35 -0.15 0.00 -0.04 0.00 0.00 63.50 61.96 2crl n PRO 95 Cb 0.00 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.14 2crl n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2crl n SER 96 N -4.45 1.94 -4.86 3.54 7.64 -1.26 -4.99 113.62 111.18 2crl n SER 96 Ca 0.12 0.35 -0.34 0.00 1.01 0.00 0.00 58.87 60.01 2crl n SER 96 Cb 0.46 -0.77 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 2crl n SER 96 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crl s SER 97 N -6.34 6.71 0.00 6.43 0.15 -1.26 -5.37 113.70 114.02 2crl s SER 97 Ca -0.31 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2crl s SER 97 Cb 0.07 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2crl s SER 97 CO 0.44 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.52