#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 0.37 0.30 1.61 0.01 -1.26 -5.03 113.70 109.70 2crl s SER 2 Ca 0.00 0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.33 2crl s SER 2 Cb 0.00 -0.10 0.75 0.00 0.21 0.00 0.00 66.02 66.88 2crl s SER 2 CO 0.00 -0.16 1.60 -1.28 0.41 0.00 0.00 173.24 173.81 2crl h SER 3 N 7.59 -0.29 0.00 2.44 0.87 -2.15 -3.44 113.55 118.56 2crl h SER 3 Ca -0.37 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2crl h SER 3 Cb 1.12 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2crl h SER 3 CO 0.39 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.01 2crl n GLY 4 N -1.44 0.46 3.76 5.77 0.00 -1.26 -5.13 105.19 107.35 2crl n GLY 4 Ca 0.23 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2crl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crl s SER 5 N 0.00 5.20 0.43 1.61 0.01 -1.26 -5.05 113.70 114.63 2crl s SER 5 Ca 0.00 2.20 0.07 0.00 1.31 0.00 0.00 55.95 59.53 2crl s SER 5 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2crl s SER 5 CO 0.00 -1.58 0.25 -0.55 0.41 0.00 0.00 173.24 171.77 2crl s SER 6 N -2.00 4.60 -0.55 2.44 0.15 -1.26 -5.10 113.70 111.98 2crl s SER 6 Ca 0.72 -1.02 0.05 0.00 0.70 0.00 0.00 55.95 56.40 2crl s SER 6 Cb -0.25 -0.38 0.20 0.00 -1.71 0.00 0.00 66.02 63.87 2crl s SER 6 CO 0.35 -0.64 0.50 0.61 1.20 0.00 0.00 173.24 175.26 2crl n GLY 7 N -1.38 3.38 3.50 9.45 0.00 -1.26 -5.07 105.19 113.82 2crl n GLY 7 Ca -0.00 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 1.94 0.76 -1.82 1.61 0.00 -1.26 -4.86 117.12 113.50 2crl n MET 8 Ca 0.25 0.10 -0.42 0.00 0.00 0.00 0.00 57.70 57.64 2crl n MET 8 Cb 0.43 -2.54 -0.02 0.00 0.00 0.00 0.00 33.22 31.09 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 9.55 3.81 0.15 3.04 0.00 -1.26 -5.01 121.76 132.04 2crl s ALA 9 Ca 1.13 1.51 0.06 0.00 0.00 0.00 0.00 51.96 54.67 2crl s ALA 9 Cb -0.73 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 18.70 2crl s ALA 9 CO 0.41 -0.90 0.01 0.45 0.00 0.00 0.00 175.76 175.73 2crl s SER 10 N 0.84 4.91 0.16 0.00 0.15 -1.26 -5.13 113.70 113.37 2crl s SER 10 Ca 0.68 -0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.77 2crl s SER 10 Cb -0.47 -1.10 0.06 0.00 -1.71 0.00 0.00 66.02 62.80 2crl s SER 10 CO 0.39 0.11 0.85 -1.81 1.20 0.00 0.00 173.24 173.97 2crl s ASP 11 N -2.80 -0.27 0.04 5.45 1.01 -1.26 -5.18 116.67 113.66 2crl s ASP 11 Ca 0.27 -0.34 0.04 0.00 0.71 0.00 0.00 52.55 53.22 2crl s ASP 11 Cb -0.10 0.55 -0.02 0.00 1.01 0.00 0.00 42.92 44.36 2crl s ASP 11 CO 0.19 -0.98 -0.11 -0.55 0.21 0.00 0.00 175.17 173.93 2crl s SER 12 N -2.84 1.25 0.64 0.27 0.15 -1.26 -5.16 113.70 106.74 2crl s SER 12 Ca 0.09 -0.45 -0.02 0.00 0.70 0.00 0.00 55.95 56.28 2crl s SER 12 Cb -0.02 -0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.30 2crl s SER 12 CO -0.00 -0.05 0.38 0.61 1.20 0.00 0.00 173.24 175.38 2crl n GLY 13 N 1.85 0.21 3.55 9.45 0.00 -1.26 -5.13 105.19 113.85 2crl n GLY 13 Ca -0.19 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.50 -0.67 0.04 1.61 0.01 -1.26 -5.18 114.94 107.00 2crl s ASN 14 Ca 0.24 1.09 -0.06 0.00 -0.71 0.00 0.00 52.86 53.42 2crl s ASN 14 Cb -0.01 1.05 -0.01 0.00 0.41 0.00 0.00 41.25 42.69 2crl s ASN 14 CO 0.16 -0.37 0.12 -1.10 -1.51 0.00 0.00 177.10 174.40 2crl s GLN 15 N -0.23 0.62 0.00 -0.60 -1.52 -1.26 -5.16 119.66 111.51 2crl s GLN 15 Ca -0.04 -0.74 0.00 0.00 -1.95 0.00 0.00 55.36 52.62 2crl s GLN 15 Cb -0.03 0.24 0.00 0.00 -0.22 0.00 0.00 33.01 33.00 2crl s GLN 15 CO 0.04 -0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.33 2crl n GLY 16 N 0.72 4.75 3.52 3.09 0.00 -1.26 -5.17 105.19 110.84 2crl n GLY 16 Ca -0.19 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 2crl n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2crl s THR 17 N 0.98 -0.69 -0.31 2.61 -1.32 -1.26 -5.13 115.64 110.53 2crl s THR 17 Ca 0.00 0.05 -0.29 0.00 -1.21 0.00 0.00 61.69 60.24 2crl s THR 17 Cb 0.00 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 2crl s THR 17 CO 0.00 0.02 1.27 -0.22 -2.21 0.00 0.00 174.62 173.48 2crl s LEU 18 N 2.53 3.87 0.05 9.08 0.20 -1.26 -4.17 118.68 128.97 2crl s LEU 18 Ca -0.06 1.15 0.03 0.00 0.69 0.00 0.00 54.13 55.94 2crl s LEU 18 Cb -0.11 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.09 2crl s LEU 18 CO -0.17 -1.07 -0.10 0.00 -0.29 0.00 0.00 176.35 174.72 2crl s THR 20 N -1.32 4.96 -0.19 0.00 2.01 -1.26 -3.22 115.64 116.63 2crl s THR 20 Ca -0.07 1.20 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 2crl s THR 20 Cb -0.10 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 2crl s THR 20 CO 0.01 0.02 0.01 -0.76 -0.69 0.00 0.00 174.62 173.21 2crl s LEU 21 N 2.51 3.41 -0.11 4.42 1.43 -1.20 -4.52 118.68 124.62 2crl s LEU 21 Ca 0.28 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 2crl s LEU 21 Cb -0.15 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 2crl s LEU 21 CO 0.08 0.12 0.41 -1.61 0.23 0.00 0.00 176.35 175.58 2crl s GLU 22 N 0.70 4.22 -0.06 1.70 2.02 -1.26 -2.18 118.70 123.83 2crl s GLU 22 Ca 0.00 0.34 -0.01 0.00 0.02 0.00 0.00 54.97 55.32 2crl s GLU 22 Cb -0.14 -3.39 0.03 0.00 0.10 0.00 0.00 34.13 30.73 2crl s GLU 22 CO 0.02 0.30 0.01 -0.06 0.02 0.00 0.00 175.26 175.55 2crl s PHE 23 N 0.21 0.56 -0.78 1.61 0.08 0.14 -2.97 117.98 116.83 2crl s PHE 23 Ca 0.23 -0.10 -0.20 0.00 0.12 0.00 0.00 56.93 56.98 2crl s PHE 23 Cb -0.15 -0.73 0.11 0.00 -0.57 0.00 0.00 43.02 41.68 2crl s PHE 23 CO 0.09 -0.29 1.00 0.00 -0.10 0.00 0.00 175.22 175.91 2crl s ALA 24 N 1.92 3.31 -0.05 5.36 0.00 0.73 0.23 121.76 133.26 2crl s ALA 24 Ca 0.04 -2.38 -0.04 0.00 0.00 0.00 0.00 51.96 49.57 2crl s ALA 24 Cb -0.12 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 2crl s ALA 24 CO -0.05 -2.79 0.17 0.08 0.00 0.00 0.00 175.76 173.17 2crl s VAL 25 N 3.09 5.46 -0.12 0.00 1.01 -0.97 -2.51 120.40 126.36 2crl s VAL 25 Ca 0.25 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 2crl s VAL 25 Cb -0.12 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2crl s VAL 25 CO -0.00 0.43 0.70 -1.58 0.00 0.00 0.00 175.10 174.65 2crl s GLN 26 N -1.61 4.35 0.08 2.72 2.00 -1.26 -4.27 119.66 121.67 2crl s GLN 26 Ca 0.23 0.82 0.03 0.00 -2.00 0.00 0.00 55.36 54.44 2crl s GLN 26 Cb -0.12 -3.50 -0.03 0.00 0.80 0.00 0.00 33.01 30.15 2crl s GLN 26 CO 0.13 -0.08 -0.09 -1.64 -0.50 0.00 0.00 175.29 173.12 2crl s MET 27 N 1.32 0.73 0.10 1.67 -1.94 -1.26 -4.88 119.30 115.03 2crl s MET 27 Ca 0.35 -1.04 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 2crl s MET 27 Cb -0.17 -0.39 0.00 0.00 2.01 0.00 0.00 34.83 36.28 2crl s MET 27 CO 0.15 0.05 0.00 0.25 -0.01 0.00 0.00 175.02 175.46 2crl n THR 28 N 0.79 0.79 -4.17 2.05 -2.24 -1.26 -5.03 114.28 105.21 2crl n THR 28 Ca -0.18 0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.56 2crl n THR 28 Cb 0.57 -1.29 -0.08 0.00 -2.10 0.00 0.00 70.33 67.43 2crl n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crl n GLN 30 N 0.78 -0.05 -0.07 0.00 -0.06 -1.26 -1.04 117.38 115.68 2crl n GLN 30 Ca -0.12 0.97 -0.02 0.00 -2.00 0.00 0.00 57.00 55.84 2crl n GLN 30 Cb 0.52 -1.67 -0.02 0.00 -4.06 0.00 0.00 30.24 25.02 2crl n GLN 30 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2crl n SER 31 N -4.68 -0.18 -0.32 1.69 3.41 -1.26 0.13 113.62 112.42 2crl n SER 31 Ca 0.22 0.83 0.18 0.00 -0.26 0.00 0.00 58.87 59.85 2crl n SER 31 Cb 0.75 -0.31 0.35 0.00 -0.26 0.00 0.00 64.21 64.74 2crl n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2crl h VAL 33 N 0.00 1.26 -0.08 0.00 2.07 0.98 0.21 116.25 120.69 2crl h VAL 33 Ca 0.63 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 67.19 2crl h VAL 33 Cb 1.42 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2crl h VAL 33 CO -0.84 0.36 -0.06 -0.78 0.02 0.00 0.00 177.57 176.28 2crl h ASP 34 N 0.93 -0.17 0.32 0.57 1.82 0.33 -2.47 116.42 117.74 2crl h ASP 34 Ca 0.19 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.85 2crl h ASP 34 Cb 0.40 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.51 2crl h ASP 34 CO 0.01 -0.08 -0.15 0.00 -1.61 0.00 0.00 179.24 177.41 2crl h ALA 35 N 1.01 -0.42 -1.14 -0.78 0.00 -1.21 -2.53 119.26 114.18 2crl h ALA 35 Ca 0.05 -0.19 0.44 0.00 0.00 0.00 0.00 54.91 55.21 2crl h ALA 35 Cb 0.14 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 17.93 2crl h ALA 35 CO -0.12 -0.54 0.67 0.28 0.00 0.00 0.00 179.25 179.54 2crl n VAL 36 N -5.12 -0.35 0.01 0.00 0.31 0.05 -0.10 118.33 113.13 2crl n VAL 36 Ca -0.09 1.92 -0.11 0.00 -0.01 0.00 0.00 64.34 66.05 2crl n VAL 36 Cb 0.27 -3.13 -0.08 0.00 -0.91 0.00 0.00 33.84 29.99 2crl n VAL 36 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2crl h ARG 37 N 0.00 -0.12 -0.85 5.55 3.08 -1.38 -3.27 114.38 117.40 2crl h ARG 37 Ca 0.85 0.01 0.17 0.00 0.07 0.00 0.00 59.98 61.08 2crl h ARG 37 Cb 2.46 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 32.47 2crl h ARG 37 CO -0.64 0.40 0.56 -0.22 -1.07 0.00 0.00 179.97 179.00 2crl h LYS 38 N -0.87 0.49 -0.17 0.04 3.64 -0.07 2.06 116.57 121.69 2crl h LYS 38 Ca -0.01 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2crl h LYS 38 Cb 0.58 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2crl h LYS 38 CO 0.02 0.33 0.12 0.66 -2.27 0.00 0.00 179.45 178.30 2crl h SER 39 N 0.51 0.17 0.00 4.20 4.64 -0.56 -2.73 113.55 119.78 2crl h SER 39 Ca 0.43 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2crl h SER 39 Cb 0.91 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2crl h SER 39 CO -0.17 0.12 -0.18 0.18 -0.87 0.00 0.00 176.83 175.91 2crl n LEU 40 N -4.51 1.52 -4.59 5.97 4.77 0.58 -4.91 117.00 115.82 2crl n LEU 40 Ca -0.00 -2.35 -0.43 0.00 -0.03 0.00 0.00 56.01 53.20 2crl n LEU 40 Cb 0.10 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2crl n LEU 40 CO 0.35 0.55 1.30 -1.58 -1.33 0.00 0.00 177.39 176.68 2crl s GLN 41 N -1.85 3.44 -1.62 3.23 0.74 0.67 -3.61 119.66 120.66 2crl s GLN 41 Ca 0.21 0.90 -0.15 0.00 0.05 0.00 0.00 55.36 56.37 2crl s GLN 41 Cb 0.18 -4.09 0.12 0.00 1.10 0.00 0.00 33.01 30.33 2crl s GLN 41 CO 0.02 -1.73 0.83 0.41 -0.55 0.00 0.00 175.29 174.27 2crl n GLY 42 N 5.20 -0.45 3.84 2.59 0.00 -1.26 -4.93 105.19 110.17 2crl n GLY 42 Ca 0.17 0.16 -0.37 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 -3.35 4.95 0.32 1.61 1.01 -1.24 -5.02 120.40 118.68 2crl s VAL 43 Ca 0.65 0.87 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 2crl s VAL 43 Cb -0.34 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 2crl s VAL 43 CO 0.89 0.49 0.15 0.00 0.00 0.00 0.00 175.10 176.63 2crl n ALA 44 N 1.54 -2.76 0.00 5.51 0.00 -1.26 -1.03 120.51 122.51 2crl n ALA 44 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2crl n ALA 44 Cb 0.52 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.99 1.40 3.72 0.00 0.00 -1.26 -4.93 105.19 106.11 2crl n GLY 45 Ca 0.11 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 2.93 -0.21 1.61 1.01 -0.20 -4.05 120.40 121.50 2crl s VAL 46 Ca 0.00 0.67 0.14 0.00 0.00 0.00 0.00 61.98 62.79 2crl s VAL 46 Cb 0.00 -3.43 -0.22 0.00 0.00 0.00 0.00 36.38 32.73 2crl s VAL 46 CO 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 175.10 175.15 2crl n GLN 47 N 3.92 0.76 -3.53 2.72 -0.00 0.95 -4.48 117.38 117.72 2crl n GLN 47 Ca 0.13 0.03 -0.14 0.00 -0.00 0.00 0.00 57.00 57.01 2crl n GLN 47 Cb 0.40 -1.50 -0.05 0.00 -0.00 0.00 0.00 30.24 29.09 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 -5.66 -0.52 -0.11 2.61 2.15 -0.78 -5.00 116.67 109.36 2crl s ASP 48 Ca -0.16 0.26 -0.05 0.00 0.43 0.00 0.00 52.55 53.03 2crl s ASP 48 Cb 0.07 0.53 0.05 0.00 -0.30 0.00 0.00 42.92 43.26 2crl s ASP 48 CO 0.75 -0.75 0.24 -0.69 -0.17 0.00 0.00 175.17 174.55 2crl s VAL 49 N -2.47 -0.07 -0.21 1.11 1.01 -1.26 0.57 120.40 119.08 2crl s VAL 49 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2crl s VAL 49 Cb -0.01 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 36.04 2crl s VAL 49 CO -0.02 0.07 -0.06 -1.61 0.00 0.00 0.00 175.10 173.48 2crl s GLU 50 N 1.36 1.60 -0.20 2.72 2.02 0.23 -5.01 118.70 121.41 2crl s GLU 50 Ca -0.08 -0.79 -0.08 0.00 0.02 0.00 0.00 54.97 54.03 2crl s GLU 50 Cb -0.11 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2crl s GLU 50 CO -0.08 -0.52 0.08 0.54 0.02 0.00 0.00 175.26 175.30 2crl s VAL 51 N 1.49 4.83 -0.24 2.63 0.11 -1.26 -0.26 120.40 127.70 2crl s VAL 51 Ca -0.03 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2crl s VAL 51 Cb -0.17 -3.21 0.03 0.00 -1.53 0.00 0.00 36.38 31.50 2crl s VAL 51 CO -0.07 0.42 -0.08 -1.00 -3.33 0.00 0.00 175.10 171.03 2crl s HIS 52 N 0.71 3.04 -0.20 1.54 0.09 -0.51 -4.97 115.29 114.99 2crl s HIS 52 Ca 0.04 -1.61 0.18 0.00 -0.00 0.00 0.00 55.06 53.67 2crl s HIS 52 Cb -0.13 -2.03 0.04 0.00 -0.00 0.00 0.00 32.58 30.46 2crl s HIS 52 CO 0.02 -0.75 1.22 1.25 -0.00 0.00 0.00 174.74 176.48 2crl h LEU 53 N 7.98 0.00 0.18 0.89 5.85 -1.95 -0.38 115.31 127.88 2crl h LEU 53 Ca -0.34 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2crl h LEU 53 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2crl h LEU 53 CO 0.57 0.36 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.62 2crl h GLU 54 N 0.00 -0.23 -0.82 1.25 5.08 -1.94 -3.19 114.58 114.73 2crl h GLU 54 Ca -0.05 0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.09 2crl h GLU 54 Cb 1.32 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.48 2crl h GLU 54 CO 0.04 0.14 0.31 -0.25 -1.00 0.00 0.00 179.01 178.25 2crl n ASP 55 N -5.01 4.43 -3.74 1.42 8.00 -1.26 -4.91 116.55 115.48 2crl n ASP 55 Ca -0.09 -3.15 -0.28 0.00 0.71 0.00 0.00 54.79 51.99 2crl n ASP 55 Cb 0.25 -0.74 -0.06 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 -0.24 -0.86 -4.00 -1.24 1.13 -1.07 -4.88 117.38 106.24 2crl n GLN 56 Ca 0.40 0.09 -0.23 0.00 -1.94 0.00 0.00 57.00 55.31 2crl n GLN 56 Cb 1.34 -3.07 -0.06 0.00 0.11 0.00 0.00 30.24 28.56 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 -5.76 2.38 -0.27 -1.09 -1.94 -0.18 -2.30 119.30 110.15 2crl s MET 57 Ca 0.37 -1.61 -0.02 0.00 -1.71 0.00 0.00 55.69 52.72 2crl s MET 57 Cb -0.21 -2.18 0.16 0.00 2.01 0.00 0.00 34.83 34.61 2crl s MET 57 CO 0.73 -0.00 0.49 0.08 -0.01 0.00 0.00 175.02 176.31 2crl s VAL 58 N -2.47 -0.80 -0.09 -6.03 1.01 0.63 -1.43 120.40 111.23 2crl s VAL 58 Ca 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 2crl s VAL 58 Cb -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2crl s VAL 58 CO 0.24 -0.06 0.08 -0.76 0.00 0.00 0.00 175.10 174.59 2crl s LEU 59 N 2.70 4.00 -0.23 3.92 2.01 0.64 0.27 118.68 132.00 2crl s LEU 59 Ca 0.17 0.30 -0.03 0.00 0.01 0.00 0.00 54.13 54.58 2crl s LEU 59 Cb -0.15 -1.99 0.07 0.00 0.01 0.00 0.00 46.19 44.13 2crl s LEU 59 CO -0.18 0.38 0.07 -0.69 1.01 0.00 0.00 176.35 176.94 2crl s VAL 60 N -0.99 0.35 -0.78 -1.59 1.01 -0.93 -0.60 120.40 116.87 2crl s VAL 60 Ca 0.15 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 2crl s VAL 60 Cb -0.12 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.26 2crl s VAL 60 CO 0.04 -0.40 1.26 -1.00 0.00 0.00 0.00 175.10 175.01 2crl s HIS 61 N 1.92 2.40 0.10 5.22 0.09 0.19 -3.26 115.29 121.95 2crl s HIS 61 Ca 0.03 -0.28 -0.07 0.00 -0.00 0.00 0.00 55.06 54.74 2crl s HIS 61 Cb -0.17 -4.59 -0.01 0.00 -0.00 0.00 0.00 32.58 27.81 2crl s HIS 61 CO -0.16 -1.98 0.16 -0.08 -0.00 0.00 0.00 174.74 172.67 2crl s THR 62 N 5.31 0.13 -1.38 1.30 -1.32 -1.20 -0.04 115.64 118.45 2crl s THR 62 Ca 0.35 -1.41 0.27 0.00 -1.21 0.00 0.00 61.69 59.69 2crl s THR 62 Cb -0.08 -1.56 0.23 0.00 -1.51 0.00 0.00 72.50 69.59 2crl s THR 62 CO 0.10 -0.61 1.65 0.35 -2.21 0.00 0.00 174.62 173.90 2crl n THR 63 N -0.07 0.00 -2.47 5.08 -2.24 -1.26 -2.78 114.28 110.54 2crl n THR 63 Ca -0.12 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 2crl n THR 63 Cb 0.62 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.72 3.72 0.30 3.22 1.43 -1.26 -4.29 118.68 119.08 2crl s LEU 64 Ca 0.20 1.70 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 2crl s LEU 64 Cb 0.19 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 2crl s LEU 64 CO 0.57 -0.66 1.23 -2.16 0.23 0.00 0.00 176.35 175.56 2crl s PRO 65 N -3.70 4.46 0.14 1.29 0.04 -1.26 -4.81 135.00 131.16 2crl s PRO 65 Ca 0.62 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.53 2crl s PRO 65 Cb -0.12 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.33 2crl s PRO 65 CO 0.25 -0.05 1.11 0.43 0.04 0.00 0.00 177.00 178.78 2crl n SER 66 N 1.14 -0.65 -0.32 6.66 7.64 -1.26 0.14 113.62 126.97 2crl n SER 66 Ca 0.00 1.27 0.14 0.00 1.01 0.00 0.00 58.87 61.29 2crl n SER 66 Cb 0.43 -0.21 0.28 0.00 -1.01 0.00 0.00 64.21 63.69 2crl n SER 66 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2crl n GLN 67 N -4.96 -0.07 0.36 1.43 7.27 -1.26 -0.29 117.38 119.86 2crl n GLN 67 Ca 0.04 1.39 -0.14 0.00 0.07 0.00 0.00 57.00 58.35 2crl n GLN 67 Cb 0.23 -2.21 -0.07 0.00 2.41 0.00 0.00 30.24 30.60 2crl n GLN 67 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2crl h GLU 68 N 0.00 -0.89 -0.82 3.69 4.22 0.82 -3.05 114.58 118.55 2crl h GLU 68 Ca 0.57 0.06 0.19 0.00 0.08 0.00 0.00 59.36 60.26 2crl h GLU 68 Cb 1.18 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 30.51 2crl h GLU 68 CO -0.87 -0.59 0.25 0.28 -2.18 0.00 0.00 179.01 175.91 2crl h VAL 69 N -0.96 0.46 -0.89 0.32 2.07 -0.77 0.92 116.25 117.41 2crl h VAL 69 Ca -0.09 -0.10 0.23 0.00 0.82 0.00 0.00 66.70 67.55 2crl h VAL 69 Cb 0.70 0.13 -0.13 0.00 -1.52 0.00 0.00 31.29 30.48 2crl h VAL 69 CO 0.15 0.06 0.33 -0.61 0.02 0.00 0.00 177.57 177.52 2crl h GLN 70 N 0.30 0.30 -0.71 1.57 4.15 -0.56 0.33 115.11 120.50 2crl h GLN 70 Ca 0.49 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.82 2crl h GLN 70 Cb 0.89 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 2crl h GLN 70 CO -0.55 0.20 0.19 0.00 -1.93 0.00 0.00 178.83 176.74 2crl h ALA 71 N 1.74 0.99 -0.66 3.38 0.00 -0.71 -0.79 119.26 123.22 2crl h ALA 71 Ca 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2crl h ALA 71 Cb 1.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2crl h ALA 71 CO -0.58 0.66 0.41 -0.07 0.00 0.00 0.00 179.25 179.67 2crl h LEU 72 N 1.06 0.77 0.02 0.00 3.38 -0.22 -2.05 115.31 118.28 2crl h LEU 72 Ca 0.22 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 2crl h LEU 72 Cb 0.35 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.92 2crl h LEU 72 CO -0.00 0.58 -0.62 -0.07 0.09 0.00 0.00 178.44 178.42 2crl h LEU 73 N 0.90 0.50 -0.82 1.67 3.38 -0.98 -3.15 115.31 116.81 2crl h LEU 73 Ca 0.24 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2crl h LEU 73 Cb -0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2crl h LEU 73 CO -0.05 1.24 0.00 -0.62 0.09 0.00 0.00 178.44 179.10 2crl n GLU 74 N -4.22 0.09 0.13 1.13 1.02 -0.33 -1.40 120.64 117.06 2crl n GLU 74 Ca -0.11 0.55 -0.00 0.00 -0.02 0.00 0.00 57.16 57.58 2crl n GLU 74 Cb 0.69 -1.77 0.12 0.00 -0.02 0.00 0.00 31.44 30.46 2crl n GLU 74 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2crl h GLY 75 N 0.34 0.00 1.12 0.62 0.00 -1.33 -2.98 103.07 100.84 2crl h GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2crl h GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 2crl n THR 76 N -3.52 0.03 -1.20 4.70 -2.24 -0.49 -4.85 114.28 106.70 2crl n THR 76 Ca -0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2crl n THR 76 Cb 0.68 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.77 0.81 3.41 3.38 0.00 -1.12 -5.05 105.19 107.38 2crl n GLY 77 Ca 0.19 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.64 1.50 -0.26 1.61 0.52 -1.26 -5.09 118.95 113.34 2crl s ARG 78 Ca 0.00 -1.74 -0.10 0.00 -0.52 0.00 0.00 55.73 53.37 2crl s ARG 78 Cb 0.00 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 2crl s ARG 78 CO 0.00 0.07 0.14 -1.14 0.02 0.00 0.00 175.30 174.40 2crl s GLN 79 N -3.71 3.89 -0.24 3.54 0.74 -1.26 -4.03 119.66 118.58 2crl s GLN 79 Ca 0.28 -0.36 -0.10 0.00 0.05 0.00 0.00 55.36 55.23 2crl s GLN 79 Cb 0.03 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 2crl s GLN 79 CO 0.11 -0.11 0.15 0.00 -0.55 0.00 0.00 175.29 174.88 2crl s ALA 80 N 1.51 3.54 -0.31 1.58 0.00 -1.26 -4.03 121.76 122.79 2crl s ALA 80 Ca 0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2crl s ALA 80 Cb -0.15 -2.30 0.06 0.00 0.00 0.00 0.00 23.12 20.73 2crl s ALA 80 CO 0.07 -0.26 0.01 0.08 0.00 0.00 0.00 175.76 175.66 2crl s VAL 81 N 1.18 2.82 0.23 0.00 1.01 -1.05 -4.91 120.40 119.68 2crl s VAL 81 Ca 0.07 -1.60 -0.31 0.00 0.00 0.00 0.00 61.98 60.14 2crl s VAL 81 Cb -0.14 -2.70 -0.11 0.00 0.00 0.00 0.00 36.38 33.42 2crl s VAL 81 CO 0.05 -0.21 1.66 -0.22 0.00 0.00 0.00 175.10 176.38 2crl s LEU 82 N 1.18 4.36 0.00 3.92 2.96 -1.26 -0.19 118.68 129.65 2crl s LEU 82 Ca -0.03 2.86 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 2crl s LEU 82 Cb -0.20 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.88 2crl s LEU 82 CO -0.03 -0.93 0.00 0.29 -1.32 0.00 0.00 176.35 174.36 2crl n LYS 83 N 3.34 0.00 0.00 1.98 4.76 -1.16 -4.89 118.16 122.19 2crl n LYS 83 Ca 0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2crl n LYS 83 Cb 0.36 -0.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 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 3.02 0.96 4.17 0.72 0.00 -1.26 -4.84 105.19 107.98 2crl n GLY 84 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.18 -0.60 1.61 0.00 -1.26 -4.38 117.12 110.31 2crl n MET 85 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.96 2crl n MET 85 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 33.22 28.97 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 -2.08 -3.83 3.70 -5.12 0.00 -1.26 -5.07 105.19 91.53 2crl n GLY 86 Ca -0.24 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 2crl n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crl s SER 87 N -1.53 -0.26 -0.85 1.61 0.15 -1.26 -5.07 113.70 106.49 2crl s SER 87 Ca 0.00 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.20 2crl s SER 87 Cb 0.00 0.53 0.22 0.00 -1.71 0.00 0.00 66.02 65.06 2crl s SER 87 CO 0.00 -0.95 0.78 -0.83 1.20 0.00 0.00 173.24 173.44 2crl s GLY 88 N -2.84 2.74 -0.32 9.45 0.00 -1.26 -5.02 107.32 110.08 2crl s GLY 88 Ca 0.10 -3.41 -0.09 0.00 0.00 0.00 0.00 44.72 41.32 2crl s GLY 88 CO -0.00 1.25 0.14 1.20 0.00 0.00 0.00 173.10 175.69 2crl s GLN 89 N -0.12 3.16 0.10 2.90 -0.21 -1.26 -5.05 119.66 119.18 2crl s GLN 89 Ca 0.20 -0.84 -0.26 0.00 0.02 0.00 0.00 55.36 54.48 2crl s GLN 89 Cb -0.11 -3.55 0.08 0.00 1.00 0.00 0.00 33.01 30.43 2crl s GLN 89 CO -0.08 -0.48 0.99 -0.48 -2.12 0.00 0.00 175.29 173.11 2crl s LEU 90 N 1.57 -0.20 -0.29 2.90 2.34 -1.26 -5.17 118.68 118.56 2crl s LEU 90 Ca 0.03 -0.30 -0.16 0.00 0.06 0.00 0.00 54.13 53.77 2crl s LEU 90 Cb -0.18 2.04 0.16 0.00 -0.56 0.00 0.00 46.19 47.65 2crl s LEU 90 CO 0.05 -0.78 1.03 -1.58 -1.06 0.00 0.00 176.35 174.02 2crl s GLN 91 N -3.15 0.29 -0.12 1.48 2.00 -1.26 -5.16 119.66 113.74 2crl s GLN 91 Ca 0.11 0.58 0.02 0.00 -2.00 0.00 0.00 55.36 54.08 2crl s GLN 91 Cb -0.01 0.20 -0.00 0.00 0.80 0.00 0.00 33.01 34.00 2crl s GLN 91 CO -0.01 -0.07 -0.20 1.21 -0.50 0.00 0.00 175.29 175.72 2crl s ASN 92 N 1.74 3.34 0.32 6.67 2.47 -1.26 -5.11 114.94 123.12 2crl s ASN 92 Ca -0.06 -0.51 -0.09 0.00 0.42 0.00 0.00 52.86 52.61 2crl s ASN 92 Cb -0.04 -1.48 0.01 0.00 -1.45 0.00 0.00 41.25 38.30 2crl s ASN 92 CO -0.15 0.13 0.56 -0.55 -3.72 0.00 0.00 177.10 173.37 2crl s SER 93 N 0.50 0.37 0.00 -4.21 0.15 -1.26 -5.18 113.70 104.07 2crl s SER 93 Ca -0.13 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.30 2crl s SER 93 Cb -0.17 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2crl s SER 93 CO 0.05 -1.35 0.00 0.61 1.20 0.00 0.00 173.24 173.75 2crl n GLY 94 N -0.50 4.13 3.66 9.45 0.00 -1.26 -5.10 105.19 115.56 2crl n GLY 94 Ca -0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.84 4.19 -0.90 1.61 0.04 -1.26 -4.94 135.00 130.90 2crl s PRO 95 Ca 0.00 2.01 -0.24 0.00 0.04 0.00 0.00 61.00 62.80 2crl s PRO 95 Cb 0.00 -3.91 0.03 0.00 0.04 0.00 0.00 34.50 30.65 2crl s PRO 95 CO 0.00 -0.81 1.51 -1.54 0.04 0.00 0.00 177.00 176.21 2crl s SER 96 N 2.91 6.12 -0.02 6.66 1.04 -1.26 -4.96 113.70 124.19 2crl s SER 96 Ca 0.67 -0.95 0.05 0.00 0.48 0.00 0.00 55.95 56.20 2crl s SER 96 Cb -0.29 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.25 2crl s SER 96 CO 0.25 -1.84 -0.19 -0.44 0.98 0.00 0.00 173.24 172.00 2crl s SER 97 N 5.36 2.22 0.00 7.02 0.01 -1.26 -5.37 113.70 121.68 2crl s SER 97 Ca 0.48 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2crl s SER 97 Cb -0.04 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2crl s SER 97 CO -0.00 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.47