#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 -0.38 0.14 1.61 0.01 -1.26 -5.19 113.70 108.64 2crl s SER 2 Ca 0.00 0.72 -0.09 0.00 1.31 0.00 0.00 55.95 57.90 2crl s SER 2 Cb 0.00 0.72 -0.01 0.00 0.21 0.00 0.00 66.02 66.95 2crl s SER 2 CO 0.00 -0.14 0.25 -0.44 0.41 0.00 0.00 173.24 173.32 2crl s SER 3 N 0.10 0.07 -0.30 2.44 0.01 -1.26 -5.16 113.70 109.59 2crl s SER 3 Ca 0.03 -0.83 -0.17 0.00 1.31 0.00 0.00 55.95 56.30 2crl s SER 3 Cb -0.05 0.41 0.18 0.00 0.21 0.00 0.00 66.02 66.77 2crl s SER 3 CO -0.07 -0.85 1.12 -0.83 0.41 0.00 0.00 173.24 173.02 2crl s GLY 4 N -2.94 -0.00 0.22 3.44 0.00 -1.26 -5.18 107.32 101.59 2crl s GLY 4 Ca 0.14 3.29 -0.18 0.00 0.00 0.00 0.00 44.72 47.97 2crl s GLY 4 CO -0.03 3.32 0.58 -0.45 0.00 0.00 0.00 173.10 176.52 2crl s SER 5 N 2.31 -0.28 0.20 1.64 0.15 -1.26 -5.19 113.70 111.27 2crl s SER 5 Ca -0.01 -0.51 -0.23 0.00 0.70 0.00 0.00 55.95 55.90 2crl s SER 5 Cb -0.04 0.62 0.05 0.00 -1.71 0.00 0.00 66.02 64.94 2crl s SER 5 CO -0.17 -1.13 0.68 -0.55 1.20 0.00 0.00 173.24 173.27 2crl s SER 6 N -2.89 -0.42 -0.48 5.45 0.15 -1.26 -5.12 113.70 109.14 2crl s SER 6 Ca 0.10 -0.26 0.06 0.00 0.70 0.00 0.00 55.95 56.56 2crl s SER 6 Cb -0.02 0.64 0.23 0.00 -1.71 0.00 0.00 66.02 65.15 2crl s SER 6 CO -0.00 -1.10 0.80 0.61 1.20 0.00 0.00 173.24 174.75 2crl n GLY 7 N -0.41 0.38 3.42 9.45 0.00 -1.26 -5.14 105.19 111.63 2crl n GLY 7 Ca -0.11 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 0.45 1.94 -0.14 1.61 1.00 -1.26 -5.12 119.30 117.78 2crl s MET 8 Ca 0.32 -1.05 -0.01 0.00 0.00 0.00 0.00 55.69 54.95 2crl s MET 8 Cb 0.18 -2.10 0.04 0.00 0.00 0.00 0.00 34.83 32.95 2crl s MET 8 CO -0.20 0.52 -0.03 0.00 0.00 0.00 0.00 175.02 175.32 2crl s ALA 9 N -0.90 1.20 0.21 3.03 0.00 -1.26 -5.11 121.76 118.93 2crl s ALA 9 Ca 0.14 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2crl s ALA 9 Cb -0.10 -1.00 -0.16 0.00 0.00 0.00 0.00 23.12 21.85 2crl s ALA 9 CO 0.04 -0.70 0.73 -1.13 0.00 0.00 0.00 175.76 174.71 2crl n SER 10 N 4.98 -0.27 -4.35 0.00 3.41 -1.26 -4.88 113.62 111.24 2crl n SER 10 Ca -0.10 1.15 -0.45 0.00 -0.26 0.00 0.00 58.87 59.20 2crl n SER 10 Cb 0.49 -1.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.33 2crl n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2crl s ASP 11 N -0.75 6.22 -0.18 4.04 2.15 -1.26 -4.99 116.67 121.89 2crl s ASP 11 Ca 0.64 -1.62 -0.04 0.00 0.43 0.00 0.00 52.55 51.97 2crl s ASP 11 Cb -0.88 -2.27 0.09 0.00 -0.30 0.00 0.00 42.92 39.56 2crl s ASP 11 CO 0.57 -1.01 0.23 -0.94 -0.17 0.00 0.00 175.17 173.85 2crl s SER 12 N 3.56 1.12 -0.23 -0.34 1.04 -1.26 -5.12 113.70 112.47 2crl s SER 12 Ca 0.09 -0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 2crl s SER 12 Cb -0.25 0.45 0.12 0.00 0.10 0.00 0.00 66.02 66.44 2crl s SER 12 CO 0.04 -0.31 0.44 -0.83 0.98 0.00 0.00 173.24 173.56 2crl s GLY 13 N 2.35 -0.48 -0.19 7.32 0.00 -1.26 -5.14 107.32 109.92 2crl s GLY 13 Ca 0.06 1.37 -0.02 0.00 0.00 0.00 0.00 44.72 46.13 2crl s GLY 13 CO -0.11 2.67 -0.08 -1.31 0.00 0.00 0.00 173.10 174.26 2crl s ASN 14 N 2.64 4.13 -0.27 1.64 0.01 -1.26 -5.08 114.94 116.74 2crl s ASN 14 Ca 0.06 -0.38 -0.01 0.00 -0.71 0.00 0.00 52.86 51.82 2crl s ASN 14 Cb -0.14 -1.68 0.08 0.00 0.41 0.00 0.00 41.25 39.93 2crl s ASN 14 CO -0.15 0.05 0.06 -1.10 -1.51 0.00 0.00 177.10 174.45 2crl s GLN 15 N 1.06 0.81 -0.30 -0.60 1.11 -1.26 -5.09 119.66 115.39 2crl s GLN 15 Ca 0.00 -0.89 -0.13 0.00 0.01 0.00 0.00 55.36 54.36 2crl s GLN 15 Cb -0.15 -2.10 0.14 0.00 -1.01 0.00 0.00 33.01 29.89 2crl s GLN 15 CO -0.01 -0.84 0.80 0.20 0.01 0.00 0.00 175.29 175.44 2crl s GLY 16 N 1.65 -0.47 -0.28 3.09 0.00 -1.26 -5.15 107.32 104.90 2crl s GLY 16 Ca 0.05 2.67 -0.16 0.00 0.00 0.00 0.00 44.72 47.28 2crl s GLY 16 CO -0.18 3.04 0.72 -1.08 0.00 0.00 0.00 173.10 175.60 2crl s THR 17 N 2.51 -0.02 -0.19 0.90 -1.32 -1.26 -5.14 115.64 111.11 2crl s THR 17 Ca -0.05 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.19 2crl s THR 17 Cb -0.09 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.89 2crl s THR 17 CO -0.18 0.00 0.78 -0.22 -2.21 0.00 0.00 174.62 172.79 2crl s LEU 18 N 1.63 4.15 0.19 9.08 2.96 -1.26 -4.20 118.68 131.24 2crl s LEU 18 Ca -0.10 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 2crl s LEU 18 Cb -0.05 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.46 2crl s LEU 18 CO -0.19 -0.39 0.00 0.00 -1.32 0.00 0.00 176.35 174.45 2crl s THR 20 N -3.58 5.27 -0.18 0.00 2.01 -1.26 -2.17 115.64 115.73 2crl s THR 20 Ca 0.26 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.86 2crl s THR 20 Cb 0.06 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.96 2crl s THR 20 CO 0.06 0.44 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.47 2crl s LEU 21 N 0.10 2.12 -0.28 4.42 1.43 -0.43 -3.41 118.68 122.62 2crl s LEU 21 Ca 0.18 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.45 2crl s LEU 21 Cb -0.14 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2crl s LEU 21 CO 0.06 -0.01 0.47 -1.61 0.23 0.00 0.00 176.35 175.48 2crl s GLU 22 N 1.31 3.95 -0.10 1.70 2.02 0.03 0.02 118.70 127.62 2crl s GLU 22 Ca 0.05 0.12 0.03 0.00 0.02 0.00 0.00 54.97 55.18 2crl s GLU 22 Cb -0.13 -3.69 0.01 0.00 0.10 0.00 0.00 34.13 30.42 2crl s GLU 22 CO -0.12 -0.40 -0.19 -0.06 0.02 0.00 0.00 175.26 174.51 2crl s PHE 23 N 2.25 2.22 -0.76 1.61 0.08 0.13 -1.74 117.98 121.77 2crl s PHE 23 Ca 0.19 -0.98 -0.21 0.00 0.12 0.00 0.00 56.93 56.05 2crl s PHE 23 Cb -0.16 -1.53 0.10 0.00 -0.57 0.00 0.00 43.02 40.86 2crl s PHE 23 CO 0.10 -0.45 0.99 0.00 -0.10 0.00 0.00 175.22 175.77 2crl s ALA 24 N 0.68 3.25 -0.19 5.36 0.00 0.51 0.11 121.76 131.48 2crl s ALA 24 Ca -0.12 -2.26 -0.11 0.00 0.00 0.00 0.00 51.96 49.47 2crl s ALA 24 Cb -0.16 -3.89 -0.05 0.00 0.00 0.00 0.00 23.12 19.02 2crl s ALA 24 CO 0.03 -2.80 0.16 0.08 0.00 0.00 0.00 175.76 173.23 2crl s VAL 25 N 3.34 5.39 -0.52 0.00 1.01 -0.90 -2.93 120.40 125.78 2crl s VAL 25 Ca 0.25 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.21 2crl s VAL 25 Cb -0.13 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.77 2crl s VAL 25 CO 0.02 0.43 1.28 -1.58 0.00 0.00 0.00 175.10 175.25 2crl s GLN 26 N 0.40 3.51 0.31 2.72 0.74 -1.26 -4.47 119.66 121.62 2crl s GLN 26 Ca 0.10 0.49 0.07 0.00 0.05 0.00 0.00 55.36 56.07 2crl s GLN 26 Cb -0.11 -4.02 -0.03 0.00 1.10 0.00 0.00 33.01 29.94 2crl s GLN 26 CO -0.01 -1.67 0.28 -1.64 -0.55 0.00 0.00 175.29 171.70 2crl s MET 27 N 5.01 2.80 0.18 1.67 -1.94 -1.26 -4.84 119.30 120.92 2crl s MET 27 Ca 0.50 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.26 2crl s MET 27 Cb -0.09 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.23 2crl s MET 27 CO 0.28 0.17 0.00 0.25 -0.01 0.00 0.00 175.02 175.71 2crl n THR 28 N -1.34 0.61 -4.56 2.05 -2.24 -1.26 -5.07 114.28 102.46 2crl n THR 28 Ca -0.03 0.20 -0.26 0.00 -2.27 0.00 0.00 64.05 61.68 2crl n THR 28 Cb 0.59 -1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 67.66 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 1.78 -0.12 -0.59 0.00 5.75 -2.00 -1.74 115.11 118.19 2crl h GLN 30 Ca -0.40 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.16 2crl h GLN 30 Cb 1.27 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.78 2crl h GLN 30 CO 0.68 -0.08 -0.35 0.45 -2.65 0.00 0.00 178.83 176.88 2crl n SER 31 N -5.44 -0.63 -0.30 -0.69 2.88 -1.26 0.17 113.62 108.35 2crl n SER 31 Ca 0.06 1.19 0.13 0.00 -1.33 0.00 0.00 58.87 58.92 2crl n SER 31 Cb 0.37 -0.21 0.30 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.35 1.30 -0.05 0.00 2.07 0.19 -0.14 116.25 119.96 2crl h VAL 33 Ca 0.55 -1.45 -0.20 0.00 0.82 0.00 0.00 66.70 66.43 2crl h VAL 33 Cb 1.07 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2crl h VAL 33 CO -0.55 0.44 -0.81 0.44 0.02 0.00 0.00 177.57 177.11 2crl h ASP 34 N 0.23 0.52 -0.01 0.57 5.19 0.33 -2.82 116.42 120.43 2crl h ASP 34 Ca 0.02 -0.37 -0.11 0.00 -0.62 0.00 0.00 57.03 55.96 2crl h ASP 34 Cb 0.77 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 40.14 2crl h ASP 34 CO 0.06 1.13 -0.41 0.00 -3.12 0.00 0.00 179.24 176.90 2crl h ALA 35 N 0.85 0.06 -0.69 3.45 0.00 -0.32 -2.46 119.26 120.15 2crl h ALA 35 Ca -0.05 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.42 2crl h ALA 35 Cb 1.41 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 2crl h ALA 35 CO 0.14 0.21 0.37 0.28 0.00 0.00 0.00 179.25 180.26 2crl h VAL 36 N -0.29 0.94 -0.11 0.00 2.07 -1.10 0.15 116.25 117.92 2crl h VAL 36 Ca -0.05 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2crl h VAL 36 Cb 1.14 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2crl h VAL 36 CO 0.08 0.12 -0.02 0.03 0.02 0.00 0.00 177.57 177.80 2crl h ARG 37 N 0.68 0.20 -0.56 1.57 3.08 -1.58 -3.17 114.38 114.60 2crl h ARG 37 Ca 0.31 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.32 2crl h ARG 37 Cb 0.23 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2crl h ARG 37 CO -0.20 0.50 0.34 -0.22 -1.07 0.00 0.00 179.97 179.32 2crl h LYS 38 N -0.11 0.65 -0.51 0.04 3.64 -1.05 0.98 116.57 120.19 2crl h LYS 38 Ca 0.03 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.52 2crl h LYS 38 Cb 0.42 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2crl h LYS 38 CO 0.01 0.43 0.70 0.66 -2.27 0.00 0.00 179.45 178.98 2crl h SER 39 N 0.66 0.00 0.00 4.20 4.64 -0.68 0.19 113.55 122.57 2crl h SER 39 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2crl h SER 39 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2crl h SER 39 CO -0.11 0.00 -0.27 0.18 -0.87 0.00 0.00 176.83 175.76 2crl n LEU 40 N -3.37 0.77 -4.63 5.97 4.77 -0.46 -4.95 117.00 115.09 2crl n LEU 40 Ca 0.10 -1.51 -0.43 0.00 -0.03 0.00 0.00 56.01 54.14 2crl n LEU 40 Cb 0.89 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 2crl n LEU 40 CO 0.22 0.36 0.97 -1.58 -1.33 0.00 0.00 177.39 176.04 2crl s GLN 41 N -0.85 3.97 -1.45 3.23 0.74 0.33 -3.94 119.66 121.68 2crl s GLN 41 Ca 0.09 0.93 -0.03 0.00 0.05 0.00 0.00 55.36 56.39 2crl s GLN 41 Cb 0.08 -3.78 0.03 0.00 1.10 0.00 0.00 33.01 30.43 2crl s GLN 41 CO 0.01 -1.03 0.49 0.41 -0.55 0.00 0.00 175.29 174.62 2crl n GLY 42 N 4.14 -0.26 3.69 2.59 0.00 -1.26 -4.94 105.19 109.14 2crl n GLY 42 Ca 0.12 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.84 4.57 -0.18 1.61 1.01 -1.25 -5.03 120.40 117.28 2crl s VAL 43 Ca 0.13 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 2crl s VAL 43 Cb -0.07 -2.97 -0.14 0.00 0.00 0.00 0.00 36.38 33.19 2crl s VAL 43 CO 0.89 0.57 0.96 0.00 0.00 0.00 0.00 175.10 177.52 2crl n ALA 44 N 2.56 -1.84 0.00 5.51 0.00 -1.26 -0.51 120.51 124.97 2crl n ALA 44 Ca -0.18 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2crl n ALA 44 Cb 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 2.00 2.56 3.72 0.00 0.00 -1.26 -5.01 105.19 107.20 2crl n GLY 45 Ca 0.18 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2crl n GLY 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2crl n VAL 46 N 0.00 0.15 -0.06 1.61 0.31 0.33 -4.23 118.33 116.45 2crl n VAL 46 Ca 0.00 -0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 2crl n VAL 46 Cb 0.00 -1.97 -0.10 0.00 -0.91 0.00 0.00 33.84 30.86 2crl n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2crl n GLN 47 N 3.68 1.80 -3.47 5.55 -0.00 -0.15 -4.43 117.38 120.37 2crl n GLN 47 Ca 0.15 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.00 57.00 2crl n GLN 47 Cb 0.35 -1.33 -0.04 0.00 -0.00 0.00 0.00 30.24 29.22 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 -4.54 -0.58 -0.20 2.61 2.15 -1.04 -5.00 116.67 110.07 2crl s ASP 48 Ca -0.06 0.28 -0.08 0.00 0.43 0.00 0.00 52.55 53.12 2crl s ASP 48 Cb 0.04 0.55 0.08 0.00 -0.30 0.00 0.00 42.92 43.29 2crl s ASP 48 CO 0.53 -0.79 0.44 -0.69 -0.17 0.00 0.00 175.17 174.49 2crl s VAL 49 N -2.65 -0.44 -0.13 1.11 1.01 -1.26 0.22 120.40 118.26 2crl s VAL 49 Ca -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 2crl s VAL 49 Cb -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2crl s VAL 49 CO -0.04 0.05 -0.06 -1.61 0.00 0.00 0.00 175.10 173.45 2crl s GLU 50 N 2.20 3.41 -0.19 2.72 0.41 -0.92 -4.96 118.70 121.36 2crl s GLU 50 Ca -0.05 -0.55 0.01 0.00 -0.41 0.00 0.00 54.97 53.98 2crl s GLU 50 Cb -0.11 -2.79 0.03 0.00 -1.78 0.00 0.00 34.13 29.48 2crl s GLU 50 CO -0.13 0.34 -0.15 0.08 -0.49 0.00 0.00 175.26 174.91 2crl s VAL 51 N 0.07 1.91 -0.33 2.63 1.01 -1.26 0.94 120.40 125.37 2crl s VAL 51 Ca -0.01 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 2crl s VAL 51 Cb -0.14 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.43 2crl s VAL 51 CO 0.03 0.33 0.09 -1.00 0.00 0.00 0.00 175.10 174.55 2crl s HIS 52 N 1.31 3.24 -0.34 5.22 3.76 0.26 -4.95 115.29 123.80 2crl s HIS 52 Ca 0.01 -1.45 0.25 0.00 -0.15 0.00 0.00 55.06 53.72 2crl s HIS 52 Cb -0.15 -2.25 0.55 0.00 1.11 0.00 0.00 32.58 31.85 2crl s HIS 52 CO -0.10 -0.73 1.69 1.25 -0.85 0.00 0.00 174.74 176.00 2crl h LEU 53 N 8.19 0.00 -0.43 0.89 5.85 -1.95 0.76 115.31 128.62 2crl h LEU 53 Ca -0.24 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 2crl h LEU 53 Cb 1.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2crl h LEU 53 CO 0.59 0.00 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.21 2crl h GLU 54 N 0.00 0.85 -0.19 1.25 5.08 -1.94 -3.20 114.58 116.44 2crl h GLU 54 Ca 0.00 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2crl h GLU 54 Cb 0.90 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 2crl h GLU 54 CO 0.00 0.99 -0.12 -0.25 -1.00 0.00 0.00 179.01 178.63 2crl n ASP 55 N -4.25 2.66 -3.72 1.42 9.92 -1.22 -4.95 116.55 116.40 2crl n ASP 55 Ca -0.01 -3.46 -0.27 0.00 -0.53 0.00 0.00 54.79 50.52 2crl n ASP 55 Cb 0.40 -0.55 -0.05 0.00 -0.64 0.00 0.00 41.12 40.28 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 -1.04 -1.46 -3.96 -1.24 1.13 -0.58 -4.88 117.38 105.35 2crl n GLN 56 Ca 0.24 0.09 -0.21 0.00 -1.94 0.00 0.00 57.00 55.18 2crl n GLN 56 Cb 0.85 -4.41 -0.03 0.00 0.11 0.00 0.00 30.24 26.76 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 -6.20 3.23 -0.28 -1.09 -1.94 0.16 -2.12 119.30 111.07 2crl s MET 57 Ca 0.53 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 2crl s MET 57 Cb -0.31 -2.77 0.16 0.00 2.01 0.00 0.00 34.83 33.93 2crl s MET 57 CO 0.65 0.38 0.47 0.08 -0.01 0.00 0.00 175.02 176.58 2crl s VAL 58 N -2.06 -0.76 0.54 -6.03 1.01 0.30 -0.57 120.40 112.82 2crl s VAL 58 Ca 0.35 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2crl s VAL 58 Cb -0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2crl s VAL 58 CO 0.28 -0.13 0.85 -0.76 0.00 0.00 0.00 175.10 175.34 2crl s LEU 59 N 2.66 3.43 -0.26 3.92 1.02 0.27 0.17 118.68 129.89 2crl s LEU 59 Ca 0.13 0.85 -0.02 0.00 0.02 0.00 0.00 54.13 55.12 2crl s LEU 59 Cb -0.14 -3.76 0.15 0.00 0.02 0.00 0.00 46.19 42.46 2crl s LEU 59 CO -0.23 -0.81 0.41 -0.69 0.02 0.00 0.00 176.35 175.06 2crl s VAL 60 N -2.87 -0.66 -0.86 -1.59 1.01 0.10 -2.17 120.40 113.35 2crl s VAL 60 Ca 0.51 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 2crl s VAL 60 Cb -0.10 -0.87 0.12 0.00 0.00 0.00 0.00 36.38 35.52 2crl s VAL 60 CO 0.45 -0.13 1.08 -1.00 0.00 0.00 0.00 175.10 175.50 2crl s HIS 61 N 2.59 3.02 0.08 5.22 3.76 0.13 -1.31 115.29 128.78 2crl s HIS 61 Ca 0.13 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 53.84 2crl s HIS 61 Cb -0.15 -4.28 -0.04 0.00 1.11 0.00 0.00 32.58 29.22 2crl s HIS 61 CO -0.19 -1.52 -0.04 -0.08 -0.85 0.00 0.00 174.74 172.07 2crl s THR 62 N 2.99 0.40 -0.82 1.30 -1.32 -0.92 -0.98 115.64 116.29 2crl s THR 62 Ca 0.30 -1.87 0.27 0.00 -1.21 0.00 0.00 61.69 59.18 2crl s THR 62 Cb -0.08 -1.64 0.24 0.00 -1.51 0.00 0.00 72.50 69.51 2crl s THR 62 CO -0.05 -0.89 1.77 0.35 -2.21 0.00 0.00 174.62 173.59 2crl n THR 63 N 0.02 0.35 -2.57 5.08 -2.24 -1.26 -2.25 114.28 111.42 2crl n THR 63 Ca -0.12 -0.18 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 2crl n THR 63 Cb 0.61 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.93 3.75 0.78 3.22 1.43 -1.26 -4.49 118.68 118.18 2crl s LEU 64 Ca 0.11 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 2crl s LEU 64 Cb 0.15 -4.49 0.06 0.00 0.03 0.00 0.00 46.19 41.94 2crl s LEU 64 CO 0.59 -0.49 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 2crl s PRO 65 N -3.74 2.20 0.37 1.29 0.04 -1.26 -4.81 135.00 129.09 2crl s PRO 65 Ca 0.60 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.86 2crl s PRO 65 Cb -0.10 -1.89 0.80 0.00 0.04 0.00 0.00 34.50 33.35 2crl s PRO 65 CO 0.25 -1.68 1.95 0.66 0.04 0.00 0.00 177.00 178.22 2crl h SER 66 N -1.16 0.61 0.21 6.66 4.64 -1.97 0.69 113.55 123.24 2crl h SER 66 Ca -0.44 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 2crl h SER 66 Cb 1.23 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2crl h SER 66 CO 0.51 0.38 -0.08 0.06 -0.87 0.00 0.00 176.83 176.84 2crl h GLN 67 N 0.69 0.00 0.01 4.77 3.07 -1.99 0.28 115.11 121.94 2crl h GLN 67 Ca 0.32 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.98 2crl h GLN 67 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 2crl h GLN 67 CO -0.11 0.08 -0.41 1.49 0.09 0.00 0.00 178.83 179.97 2crl h GLU 68 N 0.00 0.03 -0.50 0.06 4.81 -1.23 -3.34 114.58 114.41 2crl h GLU 68 Ca -0.00 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2crl h GLU 68 Cb 0.21 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2crl h GLU 68 CO 0.01 1.02 -0.10 0.28 -0.73 0.00 0.00 179.01 179.49 2crl h VAL 69 N -0.93 1.26 -0.74 0.32 2.07 -1.21 -3.06 116.25 113.95 2crl h VAL 69 Ca -0.10 -1.23 0.17 0.00 0.82 0.00 0.00 66.70 66.36 2crl h VAL 69 Cb 1.14 0.99 -0.12 0.00 -1.52 0.00 0.00 31.29 31.78 2crl h VAL 69 CO -0.04 0.43 0.10 -0.61 0.02 0.00 0.00 177.57 177.47 2crl h GLN 70 N 0.83 0.17 -0.50 1.57 4.15 -0.59 0.15 115.11 120.89 2crl h GLN 70 Ca 0.13 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 2crl h GLN 70 Cb 0.64 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 2crl h GLN 70 CO 0.04 0.11 0.22 0.00 -1.93 0.00 0.00 178.83 177.28 2crl h ALA 71 N 1.66 0.65 -0.24 3.38 0.00 -1.65 -0.32 119.26 122.75 2crl h ALA 71 Ca 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2crl h ALA 71 Cb 0.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2crl h ALA 71 CO -0.59 0.24 0.00 -0.07 0.00 0.00 0.00 179.25 178.83 2crl h LEU 72 N 0.67 0.32 -0.02 0.00 3.38 -0.90 -1.30 115.31 117.46 2crl h LEU 72 Ca 0.17 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.86 2crl h LEU 72 Cb 0.16 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.84 2crl h LEU 72 CO -0.02 0.37 -0.92 -0.07 0.09 0.00 0.00 178.44 177.90 2crl h LEU 73 N 0.34 0.84 -1.61 1.67 3.38 -0.38 -3.17 115.31 116.38 2crl h LEU 73 Ca 0.08 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 2crl h LEU 73 Cb 0.23 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2crl h LEU 73 CO 0.00 1.46 -0.12 -0.33 0.09 0.00 0.00 178.44 179.55 2crl h GLU 74 N 0.31 0.00 0.00 1.13 5.08 -0.72 -2.65 114.58 117.73 2crl h GLU 74 Ca -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2crl h GLU 74 Cb 1.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 2crl h GLU 74 CO 0.18 0.12 -0.04 0.78 -1.00 0.00 0.00 179.01 179.05 2crl h GLY 75 N 1.51 0.00 2.00 -3.84 0.00 -1.22 -1.42 103.07 100.10 2crl h GLY 75 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2crl h GLY 75 CO 0.01 0.00 -0.25 -0.91 0.00 0.00 0.00 176.54 175.40 2crl h THR 76 N 0.00 0.61 0.00 4.70 1.35 -1.61 -3.46 112.91 114.49 2crl h THR 76 Ca -0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2crl h THR 76 Cb 0.16 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2crl h THR 76 CO 0.01 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 2crl n GLY 77 N 0.16 1.42 3.98 5.82 0.00 -0.53 -5.07 105.19 110.97 2crl n GLY 77 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.15 2.82 -0.34 1.61 3.00 -1.26 -5.08 118.95 119.55 2crl s ARG 78 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 55.73 54.67 2crl s ARG 78 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 34.95 32.29 2crl s ARG 78 CO 0.00 -0.37 0.31 -1.14 0.00 0.00 0.00 175.30 174.10 2crl s GLN 79 N -4.50 3.52 -0.33 3.54 0.74 -1.26 -4.28 119.66 117.09 2crl s GLN 79 Ca 0.53 -0.53 -0.14 0.00 0.05 0.00 0.00 55.36 55.27 2crl s GLN 79 Cb -0.10 -3.81 -0.02 0.00 1.10 0.00 0.00 33.01 30.18 2crl s GLN 79 CO 0.35 -0.50 0.31 0.00 -0.55 0.00 0.00 175.29 174.91 2crl s ALA 80 N 1.88 3.51 -0.16 1.58 0.00 -1.26 -3.99 121.76 123.31 2crl s ALA 80 Ca 0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2crl s ALA 80 Cb -0.17 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 2crl s ALA 80 CO 0.11 -0.96 -0.03 0.08 0.00 0.00 0.00 175.76 174.96 2crl s VAL 81 N 1.91 3.91 -0.07 0.00 1.01 -1.15 -4.90 120.40 121.11 2crl s VAL 81 Ca 0.10 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2crl s VAL 81 Cb -0.17 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2crl s VAL 81 CO 0.11 0.48 1.33 -0.22 0.00 0.00 0.00 175.10 176.80 2crl s LEU 82 N 0.47 4.26 -0.06 3.92 2.96 -1.26 -0.36 118.68 128.61 2crl s LEU 82 Ca -0.03 1.91 0.09 0.00 -0.22 0.00 0.00 54.13 55.88 2crl s LEU 82 Cb -0.14 -3.55 0.14 0.00 0.50 0.00 0.00 46.19 43.13 2crl s LEU 82 CO 0.03 -0.72 1.02 0.29 -1.32 0.00 0.00 176.35 175.65 2crl n LYS 83 N 5.90 1.19 0.00 1.98 4.76 -0.71 -4.95 118.16 126.33 2crl n LYS 83 Ca 0.13 -1.79 0.00 0.00 -2.87 0.00 0.00 58.31 53.79 2crl n LYS 83 Cb 0.45 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 2crl n LYS 83 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2crl n GLY 84 N -0.77 0.97 2.37 0.72 0.00 -1.23 -4.92 105.19 102.33 2crl n GLY 84 Ca 0.07 0.54 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 2crl n GLY 84 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2crl n MET 85 N 0.00 3.14 0.00 1.61 1.56 -1.26 -0.79 117.12 121.38 2crl n MET 85 Ca 0.00 -3.84 0.00 0.00 -0.27 0.00 0.00 57.70 53.59 2crl n MET 85 Cb 0.00 -2.28 0.00 0.00 2.15 0.00 0.00 33.22 33.09 2crl n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2crl n GLY 86 N -0.70 0.42 3.15 -5.12 0.00 -1.22 -4.97 105.19 96.75 2crl n GLY 86 Ca 0.51 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 2crl n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crl s SER 87 N 0.00 0.34 0.00 1.61 0.01 -1.26 -4.94 113.70 109.46 2crl s SER 87 Ca 0.00 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2crl s SER 87 Cb 0.00 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2crl s SER 87 CO 0.00 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2crl n GLY 88 N -0.02 1.18 3.09 3.44 0.00 -1.26 -5.13 105.19 106.49 2crl n GLY 88 Ca -0.10 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 2crl n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2crl s GLN 89 N -0.10 1.75 -0.26 1.61 -2.07 -1.26 -5.12 119.66 114.22 2crl s GLN 89 Ca 0.00 -0.53 -0.03 0.00 -1.82 0.00 0.00 55.36 52.97 2crl s GLN 89 Cb 0.00 -1.48 0.01 0.00 -1.09 0.00 0.00 33.01 30.45 2crl s GLN 89 CO 0.00 0.15 -0.02 -0.51 -1.32 0.00 0.00 175.29 173.60 2crl s LEU 90 N 0.28 3.33 0.51 2.60 1.43 -1.26 -5.11 118.68 120.46 2crl s LEU 90 Ca -0.08 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 2crl s LEU 90 Cb -0.13 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 2crl s LEU 90 CO 0.03 -0.13 0.79 0.00 0.23 0.00 0.00 176.35 177.27 2crl s GLN 91 N 1.40 3.09 -0.02 1.70 -2.07 -1.26 -5.11 119.66 117.40 2crl s GLN 91 Ca 0.02 -0.15 0.01 0.00 -1.82 0.00 0.00 55.36 53.41 2crl s GLN 91 Cb -0.16 -2.40 0.02 0.00 -1.09 0.00 0.00 33.01 29.37 2crl s GLN 91 CO -0.02 -0.44 -0.01 1.21 -1.32 0.00 0.00 175.29 174.71 2crl s ASN 92 N -4.23 0.34 0.16 12.60 2.47 -1.26 -5.16 114.94 119.87 2crl s ASN 92 Ca 0.50 -0.03 0.05 0.00 0.42 0.00 0.00 52.86 53.80 2crl s ASN 92 Cb -0.10 -0.14 -0.04 0.00 -1.45 0.00 0.00 41.25 39.52 2crl s ASN 92 CO 0.42 -0.05 0.15 -0.44 -3.72 0.00 0.00 177.10 173.46 2crl s SER 93 N 0.62 5.59 0.00 -4.21 0.01 -1.26 -5.06 113.70 109.39 2crl s SER 93 Ca -0.06 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2crl s SER 93 Cb -0.09 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2crl s SER 93 CO -0.01 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2crl n GLY 94 N -0.36 3.19 3.77 3.44 0.00 -1.26 -5.08 105.19 108.90 2crl n GLY 94 Ca -0.08 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.40 3.46 0.20 1.61 0.04 -1.26 -5.05 135.00 130.60 2crl s PRO 95 Ca 0.00 1.66 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2crl s PRO 95 Cb 0.00 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2crl s PRO 95 CO 0.00 -0.77 0.29 -1.12 0.04 0.00 0.00 177.00 175.44 2crl s SER 96 N -1.66 6.16 -0.41 6.66 0.01 -1.26 -5.07 113.70 118.13 2crl s SER 96 Ca 0.70 0.05 -0.24 0.00 1.31 0.00 0.00 55.95 57.78 2crl s SER 96 Cb -0.25 -1.79 0.02 0.00 0.21 0.00 0.00 66.02 64.21 2crl s SER 96 CO 0.29 -0.01 0.83 -0.55 0.41 0.00 0.00 173.24 174.21 2crl s SER 97 N -3.62 6.52 0.00 2.44 0.15 -1.26 -5.34 113.70 112.59 2crl s SER 97 Ca 0.34 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2crl s SER 97 Cb -0.10 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2crl s SER 97 CO 0.28 -0.86 0.06 0.61 1.20 0.00 0.00 173.24 174.53