#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pco s PRO 2 N 0.00 3.62 -0.33 7.34 0.04 -1.26 -4.99 135.00 139.42 1pco s PRO 2 Ca 0.00 -1.23 -0.09 0.00 0.04 0.00 0.00 61.00 59.72 1pco s PRO 2 Cb 0.00 -5.38 0.01 0.00 0.04 0.00 0.00 34.50 29.17 1pco s PRO 2 CO 0.00 -2.24 0.15 -0.51 0.04 0.00 0.00 177.00 174.44 1pco s ASP 3 N 4.94 5.50 0.00 6.66 1.01 -1.26 -5.02 116.67 128.49 1pco s ASP 3 Ca 0.48 -0.76 0.00 0.00 0.71 0.00 0.00 52.55 52.97 1pco s ASP 3 Cb 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.96 1pco s ASP 3 CO -0.07 -0.26 0.21 -2.65 0.21 0.00 0.00 175.17 172.60 1pco n PRO 4 N 4.95 0.41 -3.64 8.23 -0.02 -1.26 -4.60 135.00 139.06 1pco n PRO 4 Ca -0.13 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.15 1pco n PRO 4 Cb 0.48 -1.20 -0.17 0.00 -0.02 0.00 0.00 33.50 32.58 1pco n PRO 4 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1pco s ARG 5 N -1.00 0.00 0.00 -0.52 3.52 -1.26 -4.78 118.95 114.91 1pco s ARG 5 Ca 0.00 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1pco s ARG 5 Cb 0.00 -0.75 0.00 0.00 -1.56 0.00 0.00 34.95 32.64 1pco s ARG 5 CO 0.00 -0.41 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 1pco n GLY 6 N 5.31 2.03 0.10 8.12 0.00 -1.26 -5.09 105.19 114.39 1pco n GLY 6 Ca -0.04 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1pco n GLY 6 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pco n ILE 7 N 0.00 1.50 -2.06 -0.61 2.08 -1.26 -4.74 119.36 114.27 1pco n ILE 7 Ca 0.00 -0.02 -0.42 0.00 0.56 0.00 0.00 62.75 62.86 1pco n ILE 7 Cb 0.00 -2.14 0.00 0.00 -0.75 0.00 0.00 39.64 36.76 1pco n ILE 7 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1pco n ILE 8 N -4.44 3.75 0.00 1.39 -5.35 -1.26 -4.85 119.36 108.60 1pco n ILE 8 Ca -0.29 -3.56 0.00 0.00 -0.27 0.00 0.00 62.75 58.63 1pco n ILE 8 Cb 0.60 -2.51 0.00 0.00 -1.74 0.00 0.00 39.64 35.99 1pco n ILE 8 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1pco n ILE 9 N 4.94 0.00 -3.27 7.28 -5.35 -1.26 -5.00 119.36 116.70 1pco n ILE 9 Ca 0.48 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.82 1pco n ILE 9 Cb 0.40 0.00 0.05 0.00 -1.74 0.00 0.00 39.64 38.35 1pco n ILE 9 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pco n ASN 10 N 0.00 -6.73 -4.27 7.28 3.02 -0.67 -4.94 115.26 108.95 1pco n ASN 10 Ca 0.00 -0.61 -0.34 0.00 -0.03 0.00 0.00 54.58 53.60 1pco n ASN 10 Cb 0.00 -4.96 -0.15 0.00 -0.61 0.00 0.00 39.78 34.06 1pco n ASN 10 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1pco s LEU 11 N -5.20 2.59 0.90 3.41 2.96 -0.86 -4.65 118.68 117.83 1pco s LEU 11 Ca 0.35 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 1pco s LEU 11 Cb -0.06 -1.61 0.13 0.00 0.50 0.00 0.00 46.19 45.15 1pco s LEU 11 CO 0.76 0.05 1.10 -1.81 -1.32 0.00 0.00 176.35 175.13 1pco s ASP 12 N 1.03 3.28 0.18 3.68 1.01 -1.26 -1.19 116.67 123.41 1pco s ASP 12 Ca -0.01 1.78 -0.32 0.00 0.71 0.00 0.00 52.55 54.71 1pco s ASP 12 Cb -0.15 -2.39 -0.11 0.00 1.01 0.00 0.00 42.92 41.29 1pco s ASP 12 CO -0.02 -2.80 1.60 -0.70 0.21 0.00 0.00 175.17 173.45 1pco s GLU 13 N -4.79 4.19 0.00 8.23 -6.30 -1.26 -3.39 118.70 115.38 1pco s GLU 13 Ca 0.64 2.42 0.00 0.00 -2.50 0.00 0.00 54.97 55.53 1pco s GLU 13 Cb -0.20 -3.13 0.00 0.00 0.00 0.00 0.00 34.13 30.80 1pco s GLU 13 CO 0.58 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1pco n GLY 14 N 3.69 1.70 3.82 -1.50 0.00 -0.39 -4.96 105.19 107.55 1pco n GLY 14 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1pco n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pco s GLU 15 N -0.16 3.04 -0.07 1.61 0.41 -1.22 -4.89 118.70 117.43 1pco s GLU 15 Ca 0.00 -0.66 -0.30 0.00 -0.41 0.00 0.00 54.97 53.60 1pco s GLU 15 Cb 0.00 -2.80 -0.04 0.00 -1.78 0.00 0.00 34.13 29.52 1pco s GLU 15 CO 0.00 0.56 1.31 -1.17 -0.49 0.00 0.00 175.26 175.47 1pco s LEU 16 N -2.59 4.27 0.18 1.80 0.20 -1.26 -1.10 118.68 120.18 1pco s LEU 16 Ca 0.31 1.90 0.09 0.00 0.69 0.00 0.00 54.13 57.13 1pco s LEU 16 Cb -0.12 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.05 1pco s LEU 16 CO 0.24 -0.70 -0.20 0.00 -0.29 0.00 0.00 176.35 175.40 1pco n LEU 18 N 0.25 1.08 -4.99 0.00 4.32 -1.26 -4.52 117.00 111.88 1pco n LEU 18 Ca -0.13 0.09 -0.20 0.00 -0.02 0.00 0.00 56.01 55.76 1pco n LEU 18 Cb 0.57 -0.17 0.03 0.00 -1.62 0.00 0.00 43.42 42.23 1pco n LEU 18 CO 0.30 -0.17 0.29 0.54 -1.22 0.00 0.00 177.39 177.13 1pco s ASN 19 N -1.82 5.40 0.43 -1.43 2.20 -1.26 -4.63 114.94 113.83 1pco s ASN 19 Ca 0.00 -0.16 0.24 0.00 -0.94 0.00 0.00 52.86 51.99 1pco s ASN 19 Cb 0.00 -0.78 0.57 0.00 -2.00 0.00 0.00 41.25 39.03 1pco s ASN 19 CO 0.00 -1.01 1.68 0.28 -2.94 0.00 0.00 177.10 175.11 1pco h SER 20 N 0.27 0.00 0.00 3.54 0.02 -1.50 -3.28 113.55 112.59 1pco h SER 20 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1pco h SER 20 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1pco h SER 20 CO 0.49 0.13 0.00 0.00 -1.14 0.00 0.00 176.83 176.32 1pco n ALA 21 N -2.14 2.28 -0.02 3.77 0.00 -1.25 -3.46 120.51 119.69 1pco n ALA 21 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pco n ALA 21 Cb 0.51 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 1pco n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pco n GLN 22 N -0.64 0.65 -1.78 0.00 6.02 -1.24 -4.75 117.38 115.65 1pco n GLN 22 Ca 0.05 0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.76 1pco n GLN 22 Cb 0.02 -1.63 0.12 0.00 1.02 0.00 0.00 30.24 29.77 1pco n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pco h LYS 24 N -1.34 -0.35 -6.33 0.00 1.79 -1.42 -3.36 116.57 105.56 1pco h LYS 24 Ca -0.47 0.02 -0.59 0.00 -2.18 0.00 0.00 60.65 57.44 1pco h LYS 24 Cb 1.31 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 31.95 1pco h LYS 24 CO 0.59 -0.24 0.72 -1.12 -1.08 0.00 0.00 179.45 178.32 1pco s SER 25 N -3.45 6.52 -1.10 0.86 0.01 -1.26 -4.94 113.70 110.33 1pco s SER 25 Ca -0.05 0.18 -0.24 0.00 1.31 0.00 0.00 55.95 57.15 1pco s SER 25 Cb 0.01 -2.49 -0.11 0.00 0.21 0.00 0.00 66.02 63.64 1pco s SER 25 CO 0.16 -1.16 1.99 0.20 0.41 0.00 0.00 173.24 174.84 1pco s ASN 26 N 2.43 4.70 -0.43 2.44 -0.87 -1.26 -4.77 114.94 117.18 1pco s ASN 26 Ca 0.40 -1.30 0.05 0.00 -1.57 0.00 0.00 52.86 50.45 1pco s ASN 26 Cb -0.09 -2.58 0.19 0.00 -0.02 0.00 0.00 41.25 38.75 1pco s ASN 26 CO 0.27 -3.37 0.49 0.00 -2.57 0.00 0.00 177.10 171.92 1pco s GLN 29 N 3.57 2.96 0.74 0.00 -0.44 0.30 -0.62 119.66 126.17 1pco s GLN 29 Ca 0.46 -1.00 -0.07 0.00 -2.50 0.00 0.00 55.36 52.26 1pco s GLN 29 Cb -0.14 -3.76 0.09 0.00 -1.64 0.00 0.00 33.01 27.56 1pco s GLN 29 CO 0.14 -0.66 1.05 -1.58 0.50 0.00 0.00 175.29 174.74 1pco s HIS 30 N 1.59 2.56 -0.05 1.67 2.46 0.83 -2.37 115.29 121.98 1pco s HIS 30 Ca 0.03 0.33 -0.05 0.00 0.47 0.00 0.00 55.06 55.83 1pco s HIS 30 Cb -0.19 -3.30 -0.03 0.00 -0.13 0.00 0.00 32.58 28.94 1pco s HIS 30 CO 0.07 -1.62 0.27 0.38 -2.47 0.00 0.00 174.74 171.38 1pco h ASP 31 N -0.73 -0.16 0.00 9.88 2.03 -1.88 -3.42 116.42 122.14 1pco h ASP 31 Ca -0.43 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1pco h ASP 31 Cb 1.30 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 1pco h ASP 31 CO 0.55 0.17 0.00 0.35 -1.03 0.00 0.00 179.24 179.28 1pco n THR 32 N -4.09 0.00 0.04 1.15 -2.24 -1.26 -4.85 114.28 103.03 1pco n THR 32 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1pco n THR 32 Cb 0.07 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 1pco n THR 32 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1pco n ILE 33 N 0.00 0.00 -3.81 2.28 5.41 -1.26 -4.79 119.36 117.20 1pco n ILE 33 Ca 0.00 -0.38 -0.30 0.00 1.00 0.00 0.00 62.75 63.07 1pco n ILE 33 Cb 0.00 0.89 -0.14 0.00 -0.71 0.00 0.00 39.64 39.68 1pco n ILE 33 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1pco s LEU 34 N -2.26 3.15 -0.05 1.39 2.96 -1.26 -5.10 118.68 117.51 1pco s LEU 34 Ca 0.00 -2.30 -0.31 0.00 -0.22 0.00 0.00 54.13 51.30 1pco s LEU 34 Cb 0.01 -1.17 0.11 0.00 0.50 0.00 0.00 46.19 45.64 1pco s LEU 34 CO 0.04 -0.33 1.13 -0.94 -1.32 0.00 0.00 176.35 174.94 1pco s SER 35 N 0.74 -0.16 -0.14 3.68 1.04 -1.26 -4.85 113.70 112.74 1pco s SER 35 Ca 0.14 -0.11 -0.29 0.00 0.48 0.00 0.00 55.95 56.17 1pco s SER 35 Cb -0.22 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1pco s SER 35 CO -0.09 -0.43 1.23 -0.22 0.98 0.00 0.00 173.24 174.71 1pco s LEU 36 N -2.61 4.20 -0.06 2.42 2.96 -1.26 -4.89 118.68 119.45 1pco s LEU 36 Ca 0.10 1.71 -0.12 0.00 -0.22 0.00 0.00 54.13 55.60 1pco s LEU 36 Cb 0.01 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1pco s LEU 36 CO -0.04 -0.71 0.31 -0.44 -1.32 0.00 0.00 176.35 174.15 1pco s SER 37 N 1.80 6.64 0.02 3.68 0.01 -1.26 -4.84 113.70 119.75 1pco s SER 37 Ca 0.54 0.76 0.03 0.00 1.31 0.00 0.00 55.95 58.60 1pco s SER 37 Cb -0.22 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1pco s SER 37 CO 0.16 0.33 -0.10 -0.60 0.41 0.00 0.00 173.24 173.43 1pco s ARG 38 N -0.89 0.75 0.32 12.44 3.52 -1.00 -2.11 118.95 131.98 1pco s ARG 38 Ca 0.20 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 54.95 1pco s ARG 38 Cb -0.15 -0.70 -0.11 0.00 -1.56 0.00 0.00 34.95 32.43 1pco s ARG 38 CO 0.09 0.18 1.43 0.00 -0.81 0.00 0.00 175.30 176.19 1pco n ALA 40 N 1.16 0.15 -2.33 0.00 0.00 -0.72 -1.27 120.51 117.51 1pco n ALA 40 Ca 0.03 -0.43 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 1pco n ALA 40 Cb 0.40 0.34 -0.05 0.00 0.00 0.00 0.00 19.45 20.14 1pco n ALA 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pco s LEU 41 N 0.00 4.09 0.53 0.00 1.43 -1.26 -4.70 118.68 118.77 1pco s LEU 41 Ca 0.08 1.01 -0.18 0.00 -1.03 0.00 0.00 54.13 54.01 1pco s LEU 41 Cb 0.00 -3.80 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 1pco s LEU 41 CO 0.06 -0.16 1.03 -1.59 0.23 0.00 0.00 176.35 175.92 1pco s LYS 42 N -3.07 3.69 0.83 1.70 0.00 -1.26 -4.70 119.74 116.93 1pco s LYS 42 Ca 0.49 1.20 -0.13 0.00 0.00 0.00 0.00 55.97 57.53 1pco s LYS 42 Cb -0.11 -2.09 0.10 0.00 0.00 0.00 0.00 37.83 35.73 1pco s LYS 42 CO 0.22 -0.51 1.20 0.00 0.00 0.00 0.00 175.35 176.27 1pco s ALA 43 N -2.31 2.58 0.34 0.59 0.00 -0.83 -4.93 121.76 117.20 1pco s ALA 43 Ca 0.64 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.96 1pco s ALA 43 Cb -0.14 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 1pco s ALA 43 CO 0.28 -1.80 -0.06 1.03 0.00 0.00 0.00 175.76 175.21 1pco s ARG 44 N -5.62 1.90 0.33 0.00 3.00 -1.26 -3.84 118.95 113.46 1pco s ARG 44 Ca 0.64 -1.88 -0.29 0.00 0.00 0.00 0.00 55.73 54.19 1pco s ARG 44 Cb -0.10 -1.77 -0.11 0.00 0.00 0.00 0.00 34.95 32.97 1pco s ARG 44 CO 0.50 0.14 1.51 -2.00 0.00 0.00 0.00 175.30 175.45 1pco s GLU 45 N -3.64 4.14 -1.51 3.54 2.12 -1.26 -2.49 118.70 119.60 1pco s GLU 45 Ca 0.33 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.20 1pco s GLU 45 Cb 0.02 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.40 1pco s GLU 45 CO 0.17 -0.54 0.00 0.09 -0.54 0.00 0.00 175.26 174.44 1pco n ASN 46 N 1.28 -4.87 -4.33 -1.70 3.02 0.05 -4.97 115.26 103.74 1pco n ASN 46 Ca 0.04 0.14 -0.26 0.00 -0.03 0.00 0.00 54.58 54.47 1pco n ASN 46 Cb 0.39 -3.92 -0.13 0.00 -0.61 0.00 0.00 39.78 35.51 1pco n ASN 46 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pco s SER 47 N -2.47 2.85 -0.63 6.41 0.01 -1.04 -4.89 113.70 113.93 1pco s SER 47 Ca 0.00 -0.70 -0.27 0.00 1.31 0.00 0.00 55.95 56.29 1pco s SER 47 Cb 0.00 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.06 1pco s SER 47 CO 0.00 0.11 1.50 -1.83 0.41 0.00 0.00 173.24 173.43 1pco s GLU 48 N -1.91 3.08 0.14 12.44 -1.05 -1.26 -0.98 118.70 129.16 1pco s GLU 48 Ca 0.09 0.28 -0.05 0.00 -0.15 0.00 0.00 54.97 55.15 1pco s GLU 48 Cb -0.10 -4.21 -0.06 0.00 -0.44 0.00 0.00 34.13 29.32 1pco s GLU 48 CO 0.05 -2.22 0.38 0.00 0.95 0.00 0.00 175.26 174.42 1pco s SER 50 N -2.38 6.31 0.00 0.00 1.04 0.15 -1.81 113.70 117.01 1pco s SER 50 Ca 0.41 -0.18 0.29 0.00 0.48 0.00 0.00 55.95 56.95 1pco s SER 50 Cb -0.12 -2.28 1.31 0.00 0.10 0.00 0.00 66.02 65.03 1pco s SER 50 CO 0.24 -0.58 1.95 0.00 0.98 0.00 0.00 173.24 175.83 1pco n ALA 51 N 5.89 2.35 -2.00 5.32 0.00 -1.26 -4.54 120.51 126.27 1pco n ALA 51 Ca -0.04 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 1pco n ALA 51 Cb 0.48 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.55 1pco n ALA 51 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pco s PHE 52 N -2.83 1.84 0.00 0.00 0.40 -1.26 -4.90 117.98 111.22 1pco s PHE 52 Ca 0.19 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1pco s PHE 52 Cb 0.19 -2.72 0.00 0.00 0.51 0.00 0.00 43.02 41.00 1pco s PHE 52 CO 0.49 -1.35 0.00 2.41 0.70 0.00 0.00 175.22 177.47 1pco n THR 53 N -2.54 0.00 0.00 0.64 -1.04 -1.26 -4.76 114.28 105.32 1pco n THR 53 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1pco n THR 53 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 1pco n THR 53 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1pco n LEU 54 N 0.00 0.00 0.23 -4.42 7.99 -1.26 -4.89 117.00 114.64 1pco n LEU 54 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.13 1pco n LEU 54 Cb 0.00 0.02 0.27 0.00 -0.11 0.00 0.00 43.42 43.60 1pco n LEU 54 CO 0.00 -0.02 0.83 1.88 -1.51 0.00 0.00 177.39 178.58 1pco h TYR 55 N 0.00 0.00 -0.86 -1.77 0.05 -2.01 -3.46 116.97 108.92 1pco h TYR 55 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1pco h TYR 55 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1pco h TYR 55 CO 0.00 0.03 0.00 0.41 -1.05 0.00 0.00 178.16 177.55 1pco n GLY 56 N 0.87 1.21 3.78 3.88 0.00 -1.26 -2.96 105.19 110.70 1pco n GLY 56 Ca 0.03 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 1pco n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pco s VAL 57 N 1.38 4.44 0.19 1.61 1.01 -1.26 -3.24 120.40 124.52 1pco s VAL 57 Ca 0.00 1.65 0.05 0.00 0.00 0.00 0.00 61.98 63.69 1pco s VAL 57 Cb 0.00 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1pco s VAL 57 CO 0.00 0.51 0.15 -0.31 0.00 0.00 0.00 175.10 175.45 1pco s TYR 58 N -1.03 3.14 -0.03 5.22 2.02 0.20 -4.72 117.35 122.16 1pco s TYR 58 Ca 0.35 -0.04 -0.02 0.00 -0.37 0.00 0.00 57.07 57.00 1pco s TYR 58 Cb -0.23 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1pco s TYR 58 CO 0.25 0.52 -0.04 0.66 -1.57 0.00 0.00 175.55 175.38 1pco n TYR 59 N -0.55 0.17 -3.89 2.71 4.01 -1.26 -0.12 117.16 118.22 1pco n TYR 59 Ca -0.08 0.07 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 1pco n TYR 59 Cb 0.55 -0.33 -0.13 0.00 -0.31 0.00 0.00 39.34 39.13 1pco n TYR 59 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1pco s LYS 60 N -1.25 1.92 0.47 -0.72 1.02 -1.26 -4.55 119.74 115.37 1pco s LYS 60 Ca -0.03 -2.15 -0.17 0.00 0.02 0.00 0.00 55.97 53.63 1pco s LYS 60 Cb 0.00 -3.42 -0.14 0.00 -0.52 0.00 0.00 37.83 33.75 1pco s LYS 60 CO 0.05 -1.05 -0.11 0.00 -0.92 0.00 0.00 175.35 173.31 1pco s PRO 62 N -0.95 -0.56 0.79 0.00 0.04 -1.26 -3.63 135.00 129.43 1pco s PRO 62 Ca 0.54 0.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.10 1pco s PRO 62 Cb -0.48 -1.62 0.15 0.00 0.04 0.00 0.00 34.50 32.59 1pco s PRO 62 CO 0.63 -3.41 1.09 0.00 0.04 0.00 0.00 177.00 175.35 1pco s GLU 64 N -5.36 -2.04 -0.19 0.00 -1.05 -1.25 -4.79 118.70 104.02 1pco s GLU 64 Ca 0.69 0.44 -0.28 0.00 -0.15 0.00 0.00 54.97 55.66 1pco s GLU 64 Cb -0.04 -1.46 -0.05 0.00 -0.44 0.00 0.00 34.13 32.14 1pco s GLU 64 CO 0.47 -4.36 2.13 0.50 0.95 0.00 0.00 175.26 174.95 1pco s ARG 65 N -4.79 3.31 0.00 -4.83 6.06 -1.26 -1.32 118.95 116.11 1pco s ARG 65 Ca 0.69 2.05 0.00 0.00 -2.50 0.00 0.00 55.73 55.97 1pco s ARG 65 Cb -0.19 -4.32 0.00 0.00 0.06 0.00 0.00 34.95 30.50 1pco s ARG 65 CO 0.61 -1.90 0.00 0.41 -2.50 0.00 0.00 175.30 171.92 1pco n GLY 66 N 5.53 3.34 3.60 8.12 0.00 -1.26 -4.90 105.19 119.63 1pco n GLY 66 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1pco n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pco s LEU 67 N 0.00 4.04 0.38 0.99 0.20 -0.44 -2.20 118.68 121.64 1pco s LEU 67 Ca 0.00 0.14 0.03 0.00 0.69 0.00 0.00 54.13 55.00 1pco s LEU 67 Cb 0.00 -2.27 -0.01 0.00 -0.43 0.00 0.00 46.19 43.49 1pco s LEU 67 CO 0.00 -0.11 0.55 0.28 -0.29 0.00 0.00 176.35 176.79 1pco s THR 68 N 1.86 4.17 -0.54 3.68 -1.32 -0.03 -3.93 115.64 119.52 1pco s THR 68 Ca 0.11 -0.76 -0.21 0.00 -1.21 0.00 0.00 61.69 59.63 1pco s THR 68 Cb -0.16 -3.49 0.06 0.00 -1.51 0.00 0.00 72.50 67.40 1pco s THR 68 CO 0.10 -0.26 0.74 0.00 -2.21 0.00 0.00 174.62 172.99 1pco s GLU 70 N 3.09 3.11 -0.95 0.00 2.12 -0.88 -4.86 118.70 120.32 1pco s GLU 70 Ca 0.19 -1.17 -0.13 0.00 0.36 0.00 0.00 54.97 54.22 1pco s GLU 70 Cb -0.18 -4.30 -0.09 0.00 0.26 0.00 0.00 34.13 29.83 1pco s GLU 70 CO 0.13 -1.67 2.10 0.41 -0.54 0.00 0.00 175.26 175.69 1pco n GLY 71 N 5.29 3.09 0.17 -1.50 0.00 -1.26 -2.12 105.19 108.86 1pco n GLY 71 Ca -0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 1pco n GLY 71 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pco h ASP 72 N 6.83 -0.18 -0.03 1.61 3.32 -1.89 -3.16 116.42 122.91 1pco h ASP 72 Ca 0.50 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.64 1pco h ASP 72 Cb 0.41 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1pco h ASP 72 CO 1.71 -0.05 0.00 1.17 -1.72 0.00 0.00 179.24 180.35 1pco n LYS 73 N -5.21 0.53 -1.68 3.56 4.81 -1.23 -4.82 118.16 114.12 1pco n LYS 73 Ca 0.03 -1.14 -0.40 0.00 -0.87 0.00 0.00 58.31 55.93 1pco n LYS 73 Cb 0.21 -1.19 -0.02 0.00 0.02 0.00 0.00 35.03 34.06 1pco n LYS 73 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1pco n SER 74 N 0.53 8.10 0.21 3.14 7.64 -0.94 -4.03 113.62 128.27 1pco n SER 74 Ca 0.06 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.08 1pco n SER 74 Cb 0.25 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1pco n SER 74 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1pco n LEU 75 N 2.85 -3.74 -4.33 -3.43 0.00 -1.26 -4.84 117.00 102.26 1pco n LEU 75 Ca 0.69 0.80 -0.39 0.00 0.00 0.00 0.00 56.01 57.11 1pco n LEU 75 Cb 0.25 3.53 -0.02 0.00 0.00 0.00 0.00 43.42 47.18 1pco n LEU 75 CO 0.78 0.21 2.01 0.55 0.00 0.00 0.00 177.39 180.94 1pco n VAL 76 N -3.33 3.16 0.22 1.96 3.14 -1.26 -4.28 118.33 117.94 1pco n VAL 76 Ca 0.00 -3.15 0.00 0.00 -2.96 0.00 0.00 64.34 58.23 1pco n VAL 76 Cb 0.00 -2.35 0.00 0.00 -1.06 0.00 0.00 33.84 30.43 1pco n VAL 76 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pco n GLY 77 N 5.17 -1.47 2.50 7.55 0.00 -1.26 -5.07 105.19 112.60 1pco n GLY 77 Ca 0.49 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.58 1pco n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pco n SER 78 N -3.46 -5.63 0.00 1.61 7.64 -1.26 -4.85 113.62 107.67 1pco n SER 78 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1pco n SER 78 Cb 0.00 -4.84 0.00 0.00 -1.01 0.00 0.00 64.21 58.36 1pco n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pco n ILE 79 N -3.11 0.00 -3.80 0.44 0.13 -1.26 -5.12 119.36 106.65 1pco n ILE 79 Ca -0.22 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.07 1pco n ILE 79 Cb 0.68 0.00 -0.09 0.00 -0.84 0.00 0.00 39.64 39.39 1pco n ILE 79 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1pco s THR 80 N 1.32 5.16 -1.24 9.51 -4.23 -1.26 -5.04 115.64 119.85 1pco s THR 80 Ca 0.00 0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.47 1pco s THR 80 Cb 0.00 -3.36 0.15 0.00 1.34 0.00 0.00 72.50 70.63 1pco s THR 80 CO 0.00 0.41 1.53 -3.20 -0.54 0.00 0.00 174.62 172.83 1pco n ASN 81 N 3.80 5.14 0.03 3.99 5.15 -1.26 -4.68 115.26 127.44 1pco n ASN 81 Ca -0.16 -2.97 0.11 0.00 -0.60 0.00 0.00 54.58 50.96 1pco n ASN 81 Cb 0.52 -1.61 -0.10 0.00 -0.53 0.00 0.00 39.78 38.06 1pco n ASN 81 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1pco n THR 82 N 4.95 0.20 -2.44 -0.44 -2.24 -1.26 -4.85 114.28 108.20 1pco n THR 82 Ca 0.40 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1pco n THR 82 Cb 0.43 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 1pco n THR 82 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pco s ASN 83 N -4.70 6.24 0.42 3.42 0.01 -1.26 -5.02 114.94 114.04 1pco s ASN 83 Ca -0.04 0.31 0.06 0.00 -0.71 0.00 0.00 52.86 52.48 1pco s ASN 83 Cb 0.13 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.25 1pco s ASN 83 CO 0.86 -1.62 0.58 -0.36 -1.51 0.00 0.00 177.10 175.06 1pco s PHE 84 N 5.70 2.91 0.36 2.20 0.08 -1.26 -2.21 117.98 125.75 1pco s PHE 84 Ca 0.51 -0.27 0.04 0.00 0.12 0.00 0.00 56.93 57.33 1pco s PHE 84 Cb -0.10 -2.34 -0.06 0.00 -0.57 0.00 0.00 43.02 39.95 1pco s PHE 84 CO 0.26 -0.39 0.06 0.20 -0.10 0.00 0.00 175.22 175.25 1pco s GLY 85 N -4.31 2.27 -0.07 4.36 0.00 -0.75 -3.57 107.32 105.24 1pco s GLY 85 Ca 0.53 -1.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.28 1pco s GLY 85 CO 0.34 -1.88 0.26 -0.42 0.00 0.00 0.00 173.10 171.40 1pco s ILE 86 N -3.19 5.29 0.10 0.90 -1.09 -0.90 -0.42 121.20 121.90 1pco s ILE 86 Ca 0.33 0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 58.94 1pco s ILE 86 Cb 0.08 -3.54 -0.06 0.00 -1.58 0.00 0.00 42.46 37.35 1pco s ILE 86 CO 0.15 0.60 1.18 0.00 -1.23 0.00 0.00 174.94 175.64 1pco s HIS 88 N 0.63 0.45 -0.16 0.00 3.76 -0.93 -0.77 115.29 118.28 1pco s HIS 88 Ca 0.56 -0.95 -0.14 0.00 -0.15 0.00 0.00 55.06 54.38 1pco s HIS 88 Cb -0.30 -0.34 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 1pco s HIS 88 CO 0.31 -0.37 0.30 1.21 -0.85 0.00 0.00 174.74 175.35 1pco s ASN 89 N -2.71 6.45 0.00 1.40 2.47 -1.26 -0.85 114.94 120.44 1pco s ASN 89 Ca 0.04 0.53 0.00 0.00 0.42 0.00 0.00 52.86 53.84 1pco s ASN 89 Cb 0.05 -2.19 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 1pco s ASN 89 CO -0.09 0.10 0.00 0.55 -3.72 0.00 0.00 177.10 173.94 1pco n VAL 90 N 3.56 0.00 -2.80 -5.21 3.14 -1.15 -4.98 118.33 110.88 1pco n VAL 90 Ca -0.12 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.86 1pco n VAL 90 Cb 0.52 -0.40 0.01 0.00 -1.06 0.00 0.00 33.84 32.90 1pco n VAL 90 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pco n GLY 91 N 0.93 5.76 3.39 7.55 0.00 -0.94 -5.01 105.19 116.86 1pco n GLY 91 Ca 0.00 -2.63 -0.43 0.00 0.00 0.00 0.00 46.02 42.95 1pco n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pco s ARG 92 N -3.73 2.92 0.00 1.61 6.06 -1.26 -4.24 118.95 120.31 1pco s ARG 92 Ca 0.37 -1.28 0.00 0.00 -2.50 0.00 0.00 55.73 52.32 1pco s ARG 92 Cb 0.15 -4.04 0.00 0.00 0.06 0.00 0.00 34.95 31.12 1pco s ARG 92 CO -0.05 -0.95 0.00 0.45 -2.50 0.00 0.00 175.30 172.25