#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 -0.04 0.13 1.61 0.15 -1.26 -5.06 113.70 109.23 2crl s SER 2 Ca 0.00 -0.95 -0.23 0.00 0.70 0.00 0.00 55.95 55.47 2crl s SER 2 Cb 0.00 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 2crl s SER 2 CO 0.00 -1.04 1.66 -1.28 1.20 0.00 0.00 173.24 173.78 2crl h SER 3 N 2.37 -0.54 -5.00 5.45 0.87 -2.09 -3.49 113.55 111.12 2crl h SER 3 Ca -0.29 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2crl h SER 3 Cb 1.25 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 2crl h SER 3 CO 0.41 -0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.10 2crl n GLY 4 N -1.32 0.30 3.79 5.77 0.00 -1.26 -5.04 105.19 107.44 2crl n GLY 4 Ca -0.03 -2.30 -0.24 0.00 0.00 0.00 0.00 46.02 43.45 2crl n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crl n SER 5 N 0.00 -1.48 -4.70 1.61 7.64 -1.26 -4.99 113.62 110.44 2crl n SER 5 Ca 0.00 -0.86 -0.28 0.00 1.01 0.00 0.00 58.87 58.74 2crl n SER 5 Cb 0.00 -3.79 -0.09 0.00 -1.01 0.00 0.00 64.21 59.32 2crl n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crl s SER 6 N -4.21 4.14 0.00 6.43 1.04 -1.26 -5.14 113.70 114.70 2crl s SER 6 Ca 0.10 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2crl s SER 6 Cb -0.05 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2crl s SER 6 CO 0.83 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 175.06 2crl n GLY 7 N -1.16 0.20 3.65 7.32 0.00 -1.26 -4.87 105.19 109.07 2crl n GLY 7 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2crl n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2crl n MET 8 N 0.00 -0.91 -3.66 1.61 -0.00 -1.26 -4.86 117.12 108.05 2crl n MET 8 Ca 0.00 0.07 -0.07 0.00 -0.00 0.00 0.00 57.70 57.71 2crl n MET 8 Cb 0.00 -2.65 -0.08 0.00 -0.00 0.00 0.00 33.22 30.49 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 -3.42 -1.38 -1.36 3.17 0.00 -1.26 -4.92 121.76 112.59 2crl s ALA 9 Ca 0.20 1.72 -0.07 0.00 0.00 0.00 0.00 51.96 53.80 2crl s ALA 9 Cb -0.12 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2crl s ALA 9 CO 0.67 -0.79 1.05 0.45 0.00 0.00 0.00 175.76 177.14 2crl n SER 10 N 5.39 -4.51 -1.86 0.00 2.88 -1.26 -4.86 113.62 109.39 2crl n SER 10 Ca -0.10 -0.64 -0.14 0.00 -1.33 0.00 0.00 58.87 56.66 2crl n SER 10 Cb 0.49 -4.68 0.02 0.00 -0.75 0.00 0.00 64.21 59.30 2crl n SER 10 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2crl n ASP 11 N -3.00 6.27 -4.47 -3.46 8.00 -1.26 -4.88 116.55 113.75 2crl n ASP 11 Ca -0.08 -2.96 -0.22 0.00 0.71 0.00 0.00 54.79 52.24 2crl n ASP 11 Cb 0.59 -1.09 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 2crl n ASP 11 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2crl s SER 12 N 0.52 2.61 -0.18 -2.24 0.01 -1.26 -5.16 113.70 108.00 2crl s SER 12 Ca 0.28 -1.36 -0.10 0.00 1.31 0.00 0.00 55.95 56.08 2crl s SER 12 Cb 0.21 -0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.37 2crl s SER 12 CO -0.02 -0.56 0.43 -0.83 0.41 0.00 0.00 173.24 172.67 2crl s GLY 13 N -3.51 -0.35 -0.74 3.44 0.00 -1.26 -5.11 107.32 99.79 2crl s GLY 13 Ca 0.36 1.56 -0.10 0.00 0.00 0.00 0.00 44.72 46.54 2crl s GLY 13 CO 0.16 1.66 0.63 -1.31 0.00 0.00 0.00 173.10 174.24 2crl s ASN 14 N 1.29 6.14 0.33 1.64 -0.87 -1.26 -4.92 114.94 117.29 2crl s ASN 14 Ca -0.09 -2.75 0.22 0.00 -1.57 0.00 0.00 52.86 48.67 2crl s ASN 14 Cb -0.08 -2.07 1.13 0.00 -0.02 0.00 0.00 41.25 40.22 2crl s ASN 14 CO -0.12 -0.49 1.23 0.00 -2.57 0.00 0.00 177.10 175.15 2crl n GLN 15 N 3.78 -0.04 -1.61 -0.60 0.00 -1.26 -4.86 117.38 112.80 2crl n GLN 15 Ca 0.11 1.03 0.00 0.00 0.00 0.00 0.00 57.00 58.14 2crl n GLN 15 Cb 0.43 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.72 2crl n GLN 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2crl n GLY 16 N -1.33 -4.86 3.34 2.61 0.00 -1.26 -4.94 105.19 98.74 2crl n GLY 16 Ca 0.31 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.36 4.50 -0.00 2.61 2.01 -1.26 -5.02 115.64 118.11 2crl s THR 17 Ca 0.00 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 60.63 2crl s THR 17 Cb 0.00 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 2crl s THR 17 CO 0.00 -0.36 1.54 -0.22 -0.69 0.00 0.00 174.62 174.90 2crl s LEU 18 N 1.52 4.32 0.16 4.42 2.96 -1.26 -4.36 118.68 126.44 2crl s LEU 18 Ca 0.02 2.23 0.03 0.00 -0.22 0.00 0.00 54.13 56.19 2crl s LEU 18 Cb -0.21 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 2crl s LEU 18 CO 0.05 -0.83 -0.03 0.00 -1.32 0.00 0.00 176.35 174.22 2crl s THR 20 N -3.54 5.39 -0.17 0.00 2.01 -1.26 -2.47 115.64 115.59 2crl s THR 20 Ca 0.21 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2crl s THR 20 Cb 0.05 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 69.07 2crl s THR 20 CO 0.02 0.41 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.44 2crl s LEU 21 N 0.54 2.37 -0.27 4.42 1.43 -0.91 -4.63 118.68 121.64 2crl s LEU 21 Ca 0.09 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2crl s LEU 21 Cb -0.12 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2crl s LEU 21 CO 0.00 0.03 0.12 -1.61 0.23 0.00 0.00 176.35 175.12 2crl s GLU 22 N 1.11 3.70 -0.07 1.70 2.02 -1.21 -0.38 118.70 125.58 2crl s GLU 22 Ca 0.00 -0.47 0.04 0.00 0.02 0.00 0.00 54.97 54.57 2crl s GLU 22 Cb -0.14 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.62 2crl s GLU 22 CO -0.06 -0.22 -0.20 -0.06 0.02 0.00 0.00 175.26 174.74 2crl s PHE 23 N 1.66 2.08 -0.79 1.61 0.08 0.98 -1.93 117.98 121.66 2crl s PHE 23 Ca 0.06 -0.71 -0.22 0.00 0.12 0.00 0.00 56.93 56.19 2crl s PHE 23 Cb -0.16 -1.40 0.08 0.00 -0.57 0.00 0.00 43.02 40.97 2crl s PHE 23 CO 0.06 -0.27 1.11 0.00 -0.10 0.00 0.00 175.22 176.03 2crl s ALA 24 N 0.17 3.10 0.04 5.36 0.00 0.70 0.16 121.76 131.30 2crl s ALA 24 Ca -0.10 -2.12 0.01 0.00 0.00 0.00 0.00 51.96 49.75 2crl s ALA 24 Cb -0.15 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 2crl s ALA 24 CO 0.05 -3.00 0.11 0.08 0.00 0.00 0.00 175.76 172.99 2crl s VAL 25 N 3.95 4.80 0.14 0.00 1.01 -0.73 -2.06 120.40 127.50 2crl s VAL 25 Ca 0.30 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2crl s VAL 25 Cb -0.10 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 2crl s VAL 25 CO 0.02 0.21 0.94 -1.58 0.00 0.00 0.00 175.10 174.70 2crl s GLN 26 N -2.18 4.72 -0.19 2.72 0.74 -1.26 -4.37 119.66 119.85 2crl s GLN 26 Ca 0.28 1.43 -0.08 0.00 0.05 0.00 0.00 55.36 57.04 2crl s GLN 26 Cb -0.12 -3.35 0.08 0.00 1.10 0.00 0.00 33.01 30.71 2crl s GLN 26 CO 0.20 0.29 0.43 -1.64 -0.55 0.00 0.00 175.29 174.02 2crl s MET 27 N -0.28 0.38 -0.15 1.67 -1.94 -1.26 -4.97 119.30 112.74 2crl s MET 27 Ca 0.45 0.94 -0.02 0.00 -1.71 0.00 0.00 55.69 55.34 2crl s MET 27 Cb -0.24 0.17 -0.09 0.00 2.01 0.00 0.00 34.83 36.68 2crl s MET 27 CO 0.30 -0.20 -0.16 -2.37 -0.01 0.00 0.00 175.02 172.58 2crl n THR 28 N 4.82 0.85 -4.30 2.05 5.66 -1.26 -4.97 114.28 117.14 2crl n THR 28 Ca -0.16 -0.28 -0.23 0.00 -3.05 0.00 0.00 64.05 60.33 2crl n THR 28 Cb 0.53 -1.29 -0.12 0.00 -1.55 0.00 0.00 70.33 67.90 2crl n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2crl n GLN 30 N 0.82 -0.06 -0.27 0.00 -0.06 -1.26 -0.40 117.38 116.16 2crl n GLN 30 Ca -0.17 1.25 0.03 0.00 -2.00 0.00 0.00 57.00 56.10 2crl n GLN 30 Cb 0.55 -2.18 0.08 0.00 -4.06 0.00 0.00 30.24 24.62 2crl n GLN 30 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2crl n SER 31 N -5.06 -0.33 0.15 1.69 7.64 -1.26 0.83 113.62 117.28 2crl n SER 31 Ca 0.31 1.25 -0.13 0.00 1.01 0.00 0.00 58.87 61.30 2crl n SER 31 Cb 1.06 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.85 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 -0.51 0.72 -0.37 0.00 2.07 0.31 0.24 116.25 118.71 2crl h VAL 33 Ca 0.01 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2crl h VAL 33 Cb 0.49 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2crl h VAL 33 CO -0.09 0.13 0.16 0.44 0.02 0.00 0.00 177.57 178.23 2crl h ASP 34 N 0.74 0.50 -0.38 0.57 5.19 -0.45 0.07 116.42 122.66 2crl h ASP 34 Ca 0.56 -0.15 -0.12 0.00 -0.62 0.00 0.00 57.03 56.69 2crl h ASP 34 Cb 0.90 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 2crl h ASP 34 CO -0.34 0.51 -0.24 0.00 -3.12 0.00 0.00 179.24 176.06 2crl h ALA 35 N 1.00 0.53 -0.20 3.45 0.00 -0.28 -0.79 119.26 122.98 2crl h ALA 35 Ca 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2crl h ALA 35 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2crl h ALA 35 CO -0.01 0.52 0.09 0.28 0.00 0.00 0.00 179.25 180.13 2crl h VAL 36 N 0.62 1.14 -0.15 0.00 2.07 -0.48 0.23 116.25 119.68 2crl h VAL 36 Ca 0.08 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2crl h VAL 36 Cb 0.80 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2crl h VAL 36 CO 0.07 0.13 0.01 0.03 0.02 0.00 0.00 177.57 177.83 2crl h ARG 37 N 0.19 0.27 -0.73 1.57 3.08 -0.98 -3.00 114.38 114.77 2crl h ARG 37 Ca 0.07 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2crl h ARG 37 Cb 0.12 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2crl h ARG 37 CO -0.01 0.48 0.39 -0.22 -1.07 0.00 0.00 179.97 179.53 2crl h LYS 38 N 0.02 1.02 -0.27 0.04 3.64 -1.08 1.81 116.57 121.77 2crl h LYS 38 Ca 0.04 -0.13 0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2crl h LYS 38 Cb 0.35 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2crl h LYS 38 CO 0.01 0.77 0.26 0.66 -2.27 0.00 0.00 179.45 178.88 2crl h SER 39 N 1.01 0.00 0.00 4.20 4.64 -0.45 -1.87 113.55 121.08 2crl h SER 39 Ca 0.25 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.55 2crl h SER 39 Cb 0.06 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.09 2crl h SER 39 CO -0.04 0.00 -0.42 0.18 -0.87 0.00 0.00 176.83 175.68 2crl n LEU 40 N -3.94 1.29 -4.63 5.97 4.77 -0.71 -4.94 117.00 114.81 2crl n LEU 40 Ca 0.04 -2.23 -0.43 0.00 -0.03 0.00 0.00 56.01 53.36 2crl n LEU 40 Cb 0.40 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2crl n LEU 40 CO 0.29 0.59 1.08 -1.58 -1.33 0.00 0.00 177.39 176.45 2crl s GLN 41 N -1.38 3.97 -1.56 3.23 2.00 0.61 -3.93 119.66 122.60 2crl s GLN 41 Ca 0.21 1.21 -0.09 0.00 -2.00 0.00 0.00 55.36 54.69 2crl s GLN 41 Cb 0.20 -3.83 0.09 0.00 0.80 0.00 0.00 33.01 30.27 2crl s GLN 41 CO -0.03 -1.04 0.23 0.41 -0.50 0.00 0.00 175.29 174.36 2crl n GLY 42 N 4.16 -0.22 3.89 2.59 0.00 -1.26 -4.90 105.19 109.46 2crl n GLY 42 Ca 0.14 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.78 5.25 0.01 1.61 1.01 -1.25 -5.00 120.40 118.24 2crl s VAL 43 Ca 0.32 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 2crl s VAL 43 Cb -0.19 -3.60 -0.14 0.00 0.00 0.00 0.00 36.38 32.45 2crl s VAL 43 CO 0.93 0.22 0.72 0.00 0.00 0.00 0.00 175.10 176.97 2crl n ALA 44 N 0.64 -2.68 0.00 5.51 0.00 -1.26 -0.32 120.51 122.40 2crl n ALA 44 Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2crl n ALA 44 Cb 0.52 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.07 1.81 3.70 0.00 0.00 -1.26 -4.95 105.19 105.56 2crl n GLY 45 Ca 0.14 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 2.58 -0.22 1.61 1.01 0.56 -4.18 120.40 121.77 2crl s VAL 46 Ca 0.00 0.25 0.13 0.00 0.00 0.00 0.00 61.98 62.36 2crl s VAL 46 Cb 0.00 -3.16 -0.22 0.00 0.00 0.00 0.00 36.38 32.99 2crl s VAL 46 CO 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 175.10 175.08 2crl n GLN 47 N 4.90 0.68 -3.44 2.72 -0.00 0.30 -4.08 117.38 118.47 2crl n GLN 47 Ca 0.16 0.04 -0.12 0.00 -0.00 0.00 0.00 57.00 57.08 2crl n GLN 47 Cb 0.38 -1.52 -0.02 0.00 -0.00 0.00 0.00 30.24 29.08 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 -5.81 -0.57 -0.23 2.61 2.15 -0.98 -4.88 116.67 108.97 2crl s ASP 48 Ca -0.18 0.08 -0.04 0.00 0.43 0.00 0.00 52.55 52.84 2crl s ASP 48 Cb 0.07 0.58 0.12 0.00 -0.30 0.00 0.00 42.92 43.39 2crl s ASP 48 CO 0.75 -0.91 0.37 -0.69 -0.17 0.00 0.00 175.17 174.53 2crl s VAL 49 N -3.42 -0.59 -0.10 1.11 1.01 -1.26 0.52 120.40 117.66 2crl s VAL 49 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2crl s VAL 49 Cb -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2crl s VAL 49 CO -0.10 -0.07 0.16 -1.61 0.00 0.00 0.00 175.10 173.48 2crl s GLU 50 N 2.54 3.47 -0.08 2.72 0.41 -0.95 -4.95 118.70 121.87 2crl s GLU 50 Ca 0.09 -0.11 0.04 0.00 -0.41 0.00 0.00 54.97 54.58 2crl s GLU 50 Cb -0.15 -3.18 -0.00 0.00 -1.78 0.00 0.00 34.13 29.02 2crl s GLU 50 CO -0.15 0.76 -0.21 0.08 -0.49 0.00 0.00 175.26 175.26 2crl s VAL 51 N -1.06 1.82 -0.36 2.63 1.01 -1.26 0.18 120.40 123.36 2crl s VAL 51 Ca 0.17 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2crl s VAL 51 Cb -0.12 -1.57 0.11 0.00 0.00 0.00 0.00 36.38 34.79 2crl s VAL 51 CO 0.06 0.51 0.10 -1.00 0.00 0.00 0.00 175.10 174.76 2crl s HIS 52 N 0.24 3.08 0.32 5.22 3.76 -0.68 -4.96 115.29 122.26 2crl s HIS 52 Ca -0.13 -2.67 0.20 0.00 -0.15 0.00 0.00 55.06 52.31 2crl s HIS 52 Cb -0.16 -2.55 0.96 0.00 1.11 0.00 0.00 32.58 31.95 2crl s HIS 52 CO 0.06 -0.90 1.88 1.25 -0.85 0.00 0.00 174.74 176.19 2crl h LEU 53 N 7.56 0.00 -0.71 0.89 5.85 -1.95 0.13 115.31 127.07 2crl h LEU 53 Ca -0.07 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2crl h LEU 53 Cb 1.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 2crl h LEU 53 CO 0.52 0.28 0.46 -0.33 -0.34 0.00 0.00 178.44 179.03 2crl h GLU 54 N 0.00 0.88 -0.18 1.25 4.39 -1.95 -2.80 114.58 116.18 2crl h GLU 54 Ca -0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2crl h GLU 54 Cb 0.61 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2crl h GLU 54 CO 0.04 0.59 -0.04 -0.25 -1.16 0.00 0.00 179.01 178.18 2crl n ASP 55 N -4.63 3.04 -4.33 1.42 8.00 -1.11 -4.97 116.55 113.98 2crl n ASP 55 Ca 0.07 -3.21 -0.36 0.00 0.71 0.00 0.00 54.79 52.00 2crl n ASP 55 Cb 0.06 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.55 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 -0.94 -0.82 -4.11 -1.24 1.13 0.23 -4.90 117.38 106.73 2crl n GLN 56 Ca 0.21 0.11 -0.23 0.00 -1.94 0.00 0.00 57.00 55.15 2crl n GLN 56 Cb 0.82 -4.03 -0.05 0.00 0.11 0.00 0.00 30.24 27.09 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 -7.03 2.90 -0.17 -1.09 -1.94 0.04 -1.78 119.30 110.23 2crl s MET 57 Ca 0.47 -1.00 -0.05 0.00 -1.71 0.00 0.00 55.69 53.39 2crl s MET 57 Cb -0.27 -2.58 0.06 0.00 2.01 0.00 0.00 34.83 34.05 2crl s MET 57 CO 0.97 0.43 0.09 0.08 -0.01 0.00 0.00 175.02 176.57 2crl s VAL 58 N -2.01 -0.08 0.15 -6.03 1.01 0.43 -1.69 120.40 112.17 2crl s VAL 58 Ca 0.32 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 2crl s VAL 58 Cb -0.09 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 2crl s VAL 58 CO 0.24 -0.29 0.47 -0.76 0.00 0.00 0.00 175.10 174.76 2crl s LEU 59 N 2.14 4.28 -0.23 3.92 1.02 0.13 -0.01 118.68 129.92 2crl s LEU 59 Ca 0.02 0.84 -0.04 0.00 0.02 0.00 0.00 54.13 54.97 2crl s LEU 59 Cb -0.16 -3.31 0.08 0.00 0.02 0.00 0.00 46.19 42.82 2crl s LEU 59 CO -0.10 0.06 0.12 -0.69 0.02 0.00 0.00 176.35 175.76 2crl s VAL 60 N -1.59 -0.10 -0.99 -1.59 1.01 0.49 -2.25 120.40 115.38 2crl s VAL 60 Ca 0.40 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 2crl s VAL 60 Cb -0.13 -0.77 0.11 0.00 0.00 0.00 0.00 36.38 35.59 2crl s VAL 60 CO 0.20 -0.49 1.27 -1.00 0.00 0.00 0.00 175.10 175.09 2crl s HIS 61 N 2.14 2.97 0.07 5.22 3.76 0.18 -2.14 115.29 127.48 2crl s HIS 61 Ca 0.06 -1.31 -0.00 0.00 -0.15 0.00 0.00 55.06 53.66 2crl s HIS 61 Cb -0.16 -4.43 -0.04 0.00 1.11 0.00 0.00 32.58 29.06 2crl s HIS 61 CO -0.23 -1.62 -0.04 -0.08 -0.85 0.00 0.00 174.74 171.92 2crl s THR 62 N 3.32 0.38 -2.29 1.30 -1.32 -1.03 -0.54 115.64 115.46 2crl s THR 62 Ca 0.38 -1.85 0.23 0.00 -1.21 0.00 0.00 61.69 59.25 2crl s THR 62 Cb -0.03 -1.57 0.52 0.00 -1.51 0.00 0.00 72.50 69.91 2crl s THR 62 CO -0.08 -0.96 1.67 0.35 -2.21 0.00 0.00 174.62 173.40 2crl n THR 63 N 0.06 0.11 -3.12 5.08 -2.24 -1.26 -2.08 114.28 110.83 2crl n THR 63 Ca -0.13 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.08 2crl n THR 63 Cb 0.61 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.73 4.00 0.26 3.22 1.43 -1.26 -4.42 118.68 120.19 2crl s LEU 64 Ca 0.35 1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 2crl s LEU 64 Cb 0.18 -3.91 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 2crl s LEU 64 CO 0.29 -0.24 1.26 -2.16 0.23 0.00 0.00 176.35 175.72 2crl s PRO 65 N -3.31 4.43 0.06 1.29 0.04 -1.26 -4.81 135.00 131.43 2crl s PRO 65 Ca 0.51 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.49 2crl s PRO 65 Cb -0.10 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 2crl s PRO 65 CO 0.24 -0.13 0.97 -1.13 0.04 0.00 0.00 177.00 176.99 2crl n SER 66 N 1.68 -0.37 -0.24 6.66 3.41 -1.26 0.13 113.62 123.64 2crl n SER 66 Ca 0.02 1.05 0.20 0.00 -0.26 0.00 0.00 58.87 59.88 2crl n SER 66 Cb 0.43 -0.30 0.37 0.00 -0.26 0.00 0.00 64.21 64.45 2crl n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2crl n GLN 67 N -3.75 -0.05 0.14 4.33 10.64 -1.26 0.12 117.38 127.55 2crl n GLN 67 Ca 0.01 1.02 -0.13 0.00 -1.83 0.00 0.00 57.00 56.07 2crl n GLN 67 Cb 0.09 -1.78 -0.08 0.00 -0.86 0.00 0.00 30.24 27.61 2crl n GLN 67 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2crl h GLU 68 N 0.00 -0.36 0.29 2.61 4.81 0.67 -3.23 114.58 119.37 2crl h GLU 68 Ca 0.57 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.81 2crl h GLU 68 Cb 1.45 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.91 2crl h GLU 68 CO -0.59 -0.04 -0.14 0.28 -0.73 0.00 0.00 179.01 177.79 2crl h VAL 69 N -0.71 0.73 -0.67 0.32 2.07 0.13 -3.05 116.25 115.07 2crl h VAL 69 Ca -0.04 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.47 2crl h VAL 69 Cb 0.48 0.80 -0.11 0.00 -1.52 0.00 0.00 31.29 30.94 2crl h VAL 69 CO 0.06 0.03 -0.23 1.67 0.02 0.00 0.00 177.57 179.12 2crl n GLN 70 N -5.23 -0.13 -0.14 1.57 7.27 0.13 0.20 117.38 121.05 2crl n GLN 70 Ca -0.10 1.04 -0.06 0.00 0.07 0.00 0.00 57.00 57.95 2crl n GLN 70 Cb 0.19 -1.55 0.02 0.00 2.41 0.00 0.00 30.24 31.32 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 1.06 0.55 -0.87 1.69 0.00 -1.55 -1.70 119.26 118.45 2crl h ALA 71 Ca 0.26 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.33 2crl h ALA 71 Cb 0.43 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 2crl h ALA 71 CO -0.68 -0.10 0.45 -0.07 0.00 0.00 0.00 179.25 178.85 2crl h LEU 72 N 0.48 0.54 -0.42 0.00 3.38 0.22 -0.38 115.31 119.12 2crl h LEU 72 Ca 0.18 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 2crl h LEU 72 Cb 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2crl h LEU 72 CO -0.11 0.22 -0.22 -0.07 0.09 0.00 0.00 178.44 178.35 2crl h LEU 73 N 0.63 0.93 -1.81 1.67 3.38 -0.73 -2.90 115.31 116.47 2crl h LEU 73 Ca 0.48 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2crl h LEU 73 Cb 0.69 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2crl h LEU 73 CO -0.37 1.13 -0.00 -0.33 0.09 0.00 0.00 178.44 178.96 2crl h GLU 74 N 0.72 0.11 -0.29 1.13 5.08 -0.24 -1.87 114.58 119.22 2crl h GLU 74 Ca 0.09 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 2crl h GLU 74 Cb 0.79 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2crl h GLU 74 CO 0.07 0.12 0.25 0.78 -1.00 0.00 0.00 179.01 179.23 2crl h GLY 75 N 0.25 0.00 2.00 -3.84 0.00 -0.96 0.14 103.07 100.66 2crl h GLY 75 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2crl h GLY 75 CO 0.00 0.00 -0.11 -0.91 0.00 0.00 0.00 176.54 175.52 2crl h THR 76 N 0.00 0.32 0.00 4.70 1.35 -1.46 -3.47 112.91 114.36 2crl h THR 76 Ca 0.14 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2crl h THR 76 Cb 0.64 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2crl h THR 76 CO -0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 2crl n GLY 77 N -0.10 1.17 3.89 5.82 0.00 0.48 -5.10 105.19 111.35 2crl n GLY 77 Ca -0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 2.65 -0.25 1.61 0.52 -1.26 -5.03 118.95 117.19 2crl s ARG 78 Ca 0.00 0.31 -0.09 0.00 -0.52 0.00 0.00 55.73 55.44 2crl s ARG 78 Cb 0.00 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 2crl s ARG 78 CO 0.00 -1.13 0.11 -1.14 0.02 0.00 0.00 175.30 173.16 2crl s GLN 79 N -5.37 3.81 -0.40 3.54 0.74 -1.26 -4.16 119.66 116.56 2crl s GLN 79 Ca 0.59 -0.40 -0.16 0.00 0.05 0.00 0.00 55.36 55.43 2crl s GLN 79 Cb -0.11 -3.43 0.01 0.00 1.10 0.00 0.00 33.01 30.59 2crl s GLN 79 CO 0.50 -0.11 0.38 0.00 -0.55 0.00 0.00 175.29 175.51 2crl s ALA 80 N 1.47 3.45 -0.45 1.58 0.00 -1.26 -4.23 121.76 122.31 2crl s ALA 80 Ca 0.06 -1.52 -0.14 0.00 0.00 0.00 0.00 51.96 50.35 2crl s ALA 80 Cb -0.15 -2.96 0.07 0.00 0.00 0.00 0.00 23.12 20.08 2crl s ALA 80 CO 0.06 -1.46 0.36 0.08 0.00 0.00 0.00 175.76 174.80 2crl s VAL 81 N 1.98 5.06 0.19 0.00 1.01 -0.88 -4.82 120.40 122.94 2crl s VAL 81 Ca 0.10 -1.07 -0.32 0.00 0.00 0.00 0.00 61.98 60.69 2crl s VAL 81 Cb -0.18 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.05 2crl s VAL 81 CO 0.12 -0.53 1.24 -0.11 0.00 0.00 0.00 175.10 175.82 2crl n LEU 82 N 5.15 1.98 -0.01 3.92 7.94 -1.26 -0.21 117.00 134.50 2crl n LEU 82 Ca -0.12 1.14 -0.03 0.00 -1.11 0.00 0.00 56.01 55.89 2crl n LEU 82 Cb 0.44 -1.28 -0.01 0.00 0.53 0.00 0.00 43.42 43.10 2crl n LEU 82 CO 0.45 -1.06 -0.54 0.29 -1.11 0.00 0.00 177.39 175.42 2crl n LYS 83 N 1.87 0.07 -3.48 1.96 4.76 -0.82 -4.80 118.16 117.72 2crl n LYS 83 Ca 0.14 0.03 -0.29 0.00 -2.87 0.00 0.00 58.31 55.33 2crl n LYS 83 Cb 0.26 -0.62 -0.12 0.00 -1.84 0.00 0.00 35.03 32.71 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 -4.92 1.01 0.19 0.72 0.00 -1.22 -4.97 107.32 98.12 2crl s GLY 84 Ca -0.05 -2.05 -0.08 0.00 0.00 0.00 0.00 44.72 42.54 2crl s GLY 84 CO 0.06 2.03 1.65 1.98 0.00 0.00 0.00 173.10 178.82 2crl h MET 85 N 6.76 1.06 -2.45 2.90 4.05 -1.87 -3.19 114.93 122.19 2crl h MET 85 Ca 0.09 -0.33 -0.07 0.00 -0.28 0.00 0.00 59.70 59.10 2crl h MET 85 Cb 0.95 -0.10 -0.26 0.00 -0.80 0.00 0.00 31.60 31.39 2crl h MET 85 CO 0.31 1.03 -0.31 0.20 0.23 0.00 0.00 176.91 178.36 2crl s GLY 86 N -3.59 -0.41 0.79 1.39 0.00 -1.26 -4.56 107.32 99.67 2crl s GLY 86 Ca -0.12 1.65 -0.10 0.00 0.00 0.00 0.00 44.72 46.15 2crl s GLY 86 CO 0.86 2.37 1.14 -1.35 0.00 0.00 0.00 173.10 176.11 2crl s SER 87 N 2.40 4.39 0.00 1.64 1.04 -1.26 -5.02 113.70 116.89 2crl s SER 87 Ca -0.04 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.93 2crl s SER 87 Cb -0.11 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.00 2crl s SER 87 CO -0.14 -1.92 0.00 0.61 0.98 0.00 0.00 173.24 172.77 2crl n GLY 88 N -3.23 -0.59 2.93 7.32 0.00 -1.26 -5.17 105.19 105.20 2crl n GLY 88 Ca 0.09 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.10 1.20 1.61 -1.52 -1.26 -5.16 119.66 114.64 2crl s GLN 89 Ca 0.00 0.43 -0.13 0.00 -1.95 0.00 0.00 55.36 53.71 2crl s GLN 89 Cb 0.00 -0.18 0.31 0.00 -0.22 0.00 0.00 33.01 32.92 2crl s GLN 89 CO 0.00 -0.19 1.00 1.28 -0.25 0.00 0.00 175.29 177.14 2crl n LEU 90 N 4.37 -1.88 -4.98 2.90 4.77 -1.26 -5.03 117.00 115.90 2crl n LEU 90 Ca -0.23 -0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 55.32 2crl n LEU 90 Cb 0.52 -1.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.37 2crl n LEU 90 CO 0.15 -3.40 0.20 -1.10 -1.33 0.00 0.00 177.39 171.92 2crl s GLN 91 N -4.37 2.96 -0.24 3.23 -1.52 -1.26 -5.12 119.66 113.34 2crl s GLN 91 Ca 0.69 -0.81 -0.29 0.00 -1.95 0.00 0.00 55.36 53.00 2crl s GLN 91 Cb -0.26 -2.66 0.16 0.00 -0.22 0.00 0.00 33.01 30.03 2crl s GLN 91 CO 0.66 -0.23 1.21 1.21 -0.25 0.00 0.00 175.29 177.89 2crl s ASN 92 N -4.25 -0.19 -0.36 5.90 3.84 -1.26 -5.13 114.94 113.49 2crl s ASN 92 Ca 0.50 0.23 -0.03 0.00 0.21 0.00 0.00 52.86 53.76 2crl s ASN 92 Cb -0.10 0.19 0.08 0.00 -0.55 0.00 0.00 41.25 40.86 2crl s ASN 92 CO 0.35 -0.15 0.11 -0.55 -2.79 0.00 0.00 177.10 174.07 2crl s SER 93 N -0.89 5.13 0.28 -4.21 0.15 -1.26 -5.09 113.70 107.81 2crl s SER 93 Ca 0.04 -1.60 0.11 0.00 0.70 0.00 0.00 55.95 55.21 2crl s SER 93 Cb -0.01 -1.79 -0.05 0.00 -1.71 0.00 0.00 66.02 62.46 2crl s SER 93 CO -0.05 -0.40 -0.15 -0.83 1.20 0.00 0.00 173.24 173.01 2crl s GLY 94 N 1.54 1.87 -0.63 9.45 0.00 -1.26 -5.07 107.32 113.23 2crl s GLY 94 Ca 0.01 -1.86 -0.26 0.00 0.00 0.00 0.00 44.72 42.62 2crl s GLY 94 CO -0.02 -1.93 1.87 2.56 0.00 0.00 0.00 173.10 175.59 2crl s PRO 95 N -3.55 2.62 1.14 2.90 0.04 -1.26 -4.98 135.00 131.90 2crl s PRO 95 Ca 0.31 0.57 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 2crl s PRO 95 Cb -0.05 -4.42 0.26 0.00 0.04 0.00 0.00 34.50 30.33 2crl s PRO 95 CO 0.16 -2.77 1.14 -1.12 0.04 0.00 0.00 177.00 174.45 2crl s SER 96 N 8.13 1.45 0.34 6.66 0.01 -1.26 -5.08 113.70 123.95 2crl s SER 96 Ca 0.67 0.61 0.08 0.00 1.31 0.00 0.00 55.95 58.63 2crl s SER 96 Cb -0.12 -0.86 -0.06 0.00 0.21 0.00 0.00 66.02 65.18 2crl s SER 96 CO 0.20 -3.79 -0.07 -0.94 0.41 0.00 0.00 173.24 169.04 2crl s SER 97 N -4.04 3.48 0.00 2.44 1.04 -1.26 -5.34 113.70 110.03 2crl s SER 97 Ca 0.71 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2crl s SER 97 Cb -0.09 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.72 2crl s SER 97 CO 0.56 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.11