#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pco h PRO 2 N 0.00 0.31 -4.48 7.34 0.11 -2.12 -3.37 132.00 129.78 1pco h PRO 2 Ca 0.00 -0.02 -0.72 0.00 0.11 0.00 0.00 66.00 65.37 1pco h PRO 2 Cb 0.00 -0.07 -0.25 0.00 0.11 0.00 0.00 31.00 30.79 1pco h PRO 2 CO 0.00 0.21 -0.46 0.16 -0.21 0.00 0.00 178.00 177.70 1pco s ASP 3 N -6.14 5.80 0.23 -2.05 1.47 -1.26 -5.04 116.67 109.68 1pco s ASP 3 Ca -0.07 -1.23 -0.07 0.00 1.18 0.00 0.00 52.55 52.36 1pco s ASP 3 Cb 0.20 -2.05 0.30 0.00 -0.34 0.00 0.00 42.92 41.03 1pco s ASP 3 CO 0.75 -0.49 1.83 -0.65 0.68 0.00 0.00 175.17 177.29 1pco h PRO 4 N 8.49 0.81 0.00 2.11 0.11 -2.07 -3.47 132.00 137.99 1pco h PRO 4 Ca -0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1pco h PRO 4 Cb 1.10 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1pco h PRO 4 CO 0.74 0.54 0.00 0.54 -0.21 0.00 0.00 178.00 179.61 1pco n ARG 5 N -4.70 0.00 -1.25 1.05 1.74 -1.26 -4.77 116.66 107.47 1pco n ARG 5 Ca 0.11 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 1pco n ARG 5 Cb 0.18 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.55 1pco n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pco n GLY 6 N 0.00 3.88 0.61 -0.13 0.00 -1.26 -4.30 105.19 103.99 1pco n GLY 6 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 3.02 0.00 -3.68 -0.61 2.08 -1.26 -5.13 119.36 113.78 1pco n ILE 7 Ca 0.65 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.85 1pco n ILE 7 Cb 0.48 -0.60 -0.09 0.00 -0.75 0.00 0.00 39.64 38.67 1pco n ILE 7 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 1pco s ILE 8 N -0.51 -0.01 0.00 1.39 1.10 -1.26 -5.17 121.20 116.74 1pco s ILE 8 Ca 0.00 0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.18 1pco s ILE 8 Cb 0.00 -0.74 0.00 0.00 0.15 0.00 0.00 42.46 41.87 1pco s ILE 8 CO 0.00 0.01 0.00 2.30 -2.11 0.00 0.00 174.94 175.14 1pco n ILE 9 N 3.67 0.00 -3.03 2.00 -5.35 -1.26 -5.06 119.36 110.34 1pco n ILE 9 Ca -0.19 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.23 1pco n ILE 9 Cb 0.56 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.47 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 -7.63 -4.80 7.28 3.02 -1.24 -4.97 115.26 106.92 1pco n ASN 10 Ca 0.00 0.15 -0.35 0.00 -0.03 0.00 0.00 54.58 54.35 1pco n ASN 10 Cb 0.00 -5.01 -0.07 0.00 -0.61 0.00 0.00 39.78 34.09 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 -3.38 4.01 0.94 3.41 2.96 -1.26 -4.69 118.68 120.67 1pco s LEU 11 Ca 0.13 0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 54.16 1pco s LEU 11 Cb -0.03 -2.15 0.21 0.00 0.50 0.00 0.00 46.19 44.71 1pco s LEU 11 CO 0.77 0.33 1.28 -1.81 -1.32 0.00 0.00 176.35 175.60 1pco s ASP 12 N -1.38 3.14 0.89 3.68 1.11 -1.26 -2.67 116.67 120.18 1pco s ASP 12 Ca 0.19 0.01 -0.12 0.00 0.18 0.00 0.00 52.55 52.81 1pco s ASP 12 Cb -0.12 -0.03 0.12 0.00 1.07 0.00 0.00 42.92 43.96 1pco s ASP 12 CO 0.09 -2.69 1.12 -1.83 1.18 0.00 0.00 175.17 173.04 1pco s GLU 13 N -5.78 1.33 0.00 8.23 1.03 -1.26 -4.40 118.70 117.85 1pco s GLU 13 Ca 0.75 0.41 0.00 0.00 0.03 0.00 0.00 54.97 56.16 1pco s GLU 13 Cb -0.03 -1.85 0.00 0.00 -0.80 0.00 0.00 34.13 31.45 1pco s GLU 13 CO 0.52 -2.09 0.00 0.41 -1.33 0.00 0.00 175.26 172.76 1pco n GLY 14 N -2.06 0.56 3.39 -3.83 0.00 -0.13 -4.95 105.19 98.18 1pco n GLY 14 Ca 0.07 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.71 2.04 0.11 1.61 0.41 -1.26 -4.87 118.70 116.03 1pco s GLU 15 Ca 0.00 -0.98 -0.31 0.00 -0.41 0.00 0.00 54.97 53.27 1pco s GLU 15 Cb 0.00 -2.11 -0.07 0.00 -1.78 0.00 0.00 34.13 30.17 1pco s GLU 15 CO 0.00 0.54 1.27 -1.17 -0.49 0.00 0.00 175.26 175.41 1pco s LEU 16 N -1.13 4.39 0.07 1.80 0.20 -1.26 -1.57 118.68 121.17 1pco s LEU 16 Ca 0.12 2.18 0.02 0.00 0.69 0.00 0.00 54.13 57.14 1pco s LEU 16 Cb -0.10 -3.59 -0.03 0.00 -0.43 0.00 0.00 46.19 42.04 1pco s LEU 16 CO 0.02 -0.52 -0.07 0.00 -0.29 0.00 0.00 176.35 175.49 1pco n LEU 18 N 0.82 0.47 0.00 0.00 4.77 -1.26 -4.24 117.00 117.56 1pco n LEU 18 Ca -0.18 0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 55.84 1pco n LEU 18 Cb 0.57 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1pco n LEU 18 CO 0.25 -0.45 0.02 0.59 -1.33 0.00 0.00 177.39 176.47 1pco n ASN 19 N -2.97 1.12 0.18 -1.43 3.02 -1.26 -4.56 115.26 109.36 1pco n ASN 19 Ca -0.03 -1.30 0.04 0.00 -0.03 0.00 0.00 54.58 53.26 1pco n ASN 19 Cb 0.12 -0.02 0.44 0.00 -0.61 0.00 0.00 39.78 39.71 1pco n ASN 19 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1pco h SER 20 N 0.09 0.07 -0.35 6.41 0.02 -1.76 -3.14 113.55 114.89 1pco h SER 20 Ca -0.05 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.64 1pco h SER 20 Cb 0.21 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.63 1pco h SER 20 CO 0.08 0.29 0.16 0.00 -1.14 0.00 0.00 176.83 176.22 1pco n ALA 21 N -2.49 5.22 -0.11 3.77 0.00 -1.26 -3.61 120.51 122.02 1pco n ALA 21 Ca -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1pco n ALA 21 Cb 0.28 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.14 0.00 -2.76 0.00 1.13 -1.19 -4.74 117.38 110.95 1pco n GLN 22 Ca 0.26 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.89 1pco n GLN 22 Cb 0.61 -0.05 -0.00 0.00 0.11 0.00 0.00 30.24 30.90 1pco n GLN 22 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pco n LYS 24 N 7.07 0.34 0.00 0.00 5.02 -1.21 -3.71 118.16 125.67 1pco n LYS 24 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1pco n LYS 24 Cb 0.45 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1pco n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1pco n SER 25 N -0.70 0.00 -0.15 4.39 3.41 -1.09 -3.67 113.62 115.80 1pco n SER 25 Ca 0.03 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1pco n SER 25 Cb 0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1pco n SER 25 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pco n ASN 26 N -1.56 0.00 -3.28 4.04 5.15 -1.24 -4.99 115.26 113.37 1pco n ASN 26 Ca 0.00 -0.67 -0.07 0.00 -0.60 0.00 0.00 54.58 53.24 1pco n ASN 26 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 1pco n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pco s GLN 29 N 2.56 4.15 0.57 0.00 -0.44 -0.91 -1.10 119.66 124.50 1pco s GLN 29 Ca 0.14 -0.09 -0.10 0.00 -2.50 0.00 0.00 55.36 52.81 1pco s GLN 29 Cb -0.20 -3.40 -0.04 0.00 -1.64 0.00 0.00 33.01 27.73 1pco s GLN 29 CO 0.11 0.32 0.96 -1.58 0.50 0.00 0.00 175.29 175.60 1pco s HIS 30 N 0.27 3.60 -0.13 1.67 5.65 -0.50 -1.60 115.29 124.25 1pco s HIS 30 Ca 0.12 1.18 -0.25 0.00 0.25 0.00 0.00 55.06 56.36 1pco s HIS 30 Cb -0.12 -2.62 -0.22 0.00 -1.18 0.00 0.00 32.58 28.44 1pco s HIS 30 CO 0.01 -0.55 0.66 0.38 -0.65 0.00 0.00 174.74 174.59 1pco h ASP 31 N -0.07 -0.00 0.00 9.88 2.03 -1.89 -3.47 116.42 122.90 1pco h ASP 31 Ca -0.45 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.00 1pco h ASP 31 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1pco h ASP 31 CO 0.62 0.92 0.00 0.35 -1.03 0.00 0.00 179.24 180.10 1pco n THR 32 N -4.64 0.00 0.10 1.15 -2.24 -1.26 -5.07 114.28 102.32 1pco n THR 32 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1pco n THR 32 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 -2.27 0.37 -2.11 2.28 2.08 -1.26 -5.01 119.36 113.43 1pco n ILE 33 Ca 0.00 0.12 -0.40 0.00 0.56 0.00 0.00 62.75 63.04 1pco n ILE 33 Cb 0.00 -0.81 -0.03 0.00 -0.75 0.00 0.00 39.64 38.05 1pco n ILE 33 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1pco s LEU 34 N -6.73 3.34 -0.82 1.39 2.96 -1.26 -4.91 118.68 112.65 1pco s LEU 34 Ca 0.00 0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 54.14 1pco s LEU 34 Cb 0.00 -2.77 -0.19 0.00 0.50 0.00 0.00 46.19 43.73 1pco s LEU 34 CO 0.00 -2.14 2.37 -1.54 -1.32 0.00 0.00 176.35 173.72 1pco n SER 35 N 11.69 0.92 -3.80 3.68 3.41 -1.26 -4.86 113.62 123.40 1pco n SER 35 Ca 0.19 -0.99 -0.29 0.00 -0.26 0.00 0.00 58.87 57.51 1pco n SER 35 Cb 0.51 -1.31 -0.13 0.00 -0.26 0.00 0.00 64.21 63.02 1pco n SER 35 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pco s LEU 36 N 10.23 3.54 -0.15 1.04 0.20 -1.26 -5.07 118.68 127.21 1pco s LEU 36 Ca 1.07 -3.05 -0.08 0.00 0.69 0.00 0.00 54.13 52.76 1pco s LEU 36 Cb -0.40 -1.30 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 1pco s LEU 36 CO 0.26 -0.21 0.14 -0.44 -0.29 0.00 0.00 176.35 175.81 1pco s SER 37 N -0.26 6.33 0.00 3.68 0.01 -1.26 -3.83 113.70 118.37 1pco s SER 37 Ca 0.20 0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.92 1pco s SER 37 Cb -0.18 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1pco s SER 37 CO -0.05 0.33 -0.24 -0.60 0.41 0.00 0.00 173.24 173.09 1pco s ARG 38 N -0.53 1.83 0.36 12.44 6.06 -0.63 -2.16 118.95 136.32 1pco s ARG 38 Ca 0.12 -0.92 -0.24 0.00 -2.50 0.00 0.00 55.73 52.19 1pco s ARG 38 Cb -0.12 -1.84 -0.10 0.00 0.06 0.00 0.00 34.95 32.95 1pco s ARG 38 CO 0.02 0.49 0.96 0.00 -2.50 0.00 0.00 175.30 174.27 1pco n ALA 40 N 0.12 0.56 -2.42 0.00 0.00 -1.18 -0.96 120.51 116.63 1pco n ALA 40 Ca 0.04 -1.71 -0.39 0.00 0.00 0.00 0.00 53.44 51.38 1pco n ALA 40 Cb 0.51 1.27 -0.05 0.00 0.00 0.00 0.00 19.45 21.18 1pco n ALA 40 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pco s LEU 41 N 0.00 4.44 0.82 0.00 1.98 -1.26 -4.66 118.68 120.00 1pco s LEU 41 Ca 0.26 1.27 -0.10 0.00 -2.89 0.00 0.00 54.13 52.67 1pco s LEU 41 Cb 0.01 -3.03 0.08 0.00 0.66 0.00 0.00 46.19 43.92 1pco s LEU 41 CO 0.19 0.09 1.10 -1.59 -1.89 0.00 0.00 176.35 174.26 1pco s LYS 42 N -0.26 1.87 0.59 1.98 0.00 -1.26 -4.83 119.74 117.82 1pco s LYS 42 Ca 0.33 1.24 -0.15 0.00 0.00 0.00 0.00 55.97 57.39 1pco s LYS 42 Cb -0.19 -1.85 -0.04 0.00 0.00 0.00 0.00 37.83 35.75 1pco s LYS 42 CO 0.19 -1.94 1.04 0.00 0.00 0.00 0.00 175.35 174.65 1pco s ALA 43 N -2.84 2.80 0.49 0.59 0.00 0.45 -4.78 121.76 118.47 1pco s ALA 43 Ca 0.63 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.94 1pco s ALA 43 Cb -0.19 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1pco s ALA 43 CO 0.57 -0.75 0.11 1.03 0.00 0.00 0.00 175.76 176.72 1pco s ARG 44 N -4.19 2.17 0.16 0.00 0.52 -1.26 -1.31 118.95 115.04 1pco s ARG 44 Ca 0.62 -2.20 -0.32 0.00 -0.52 0.00 0.00 55.73 53.31 1pco s ARG 44 Cb -0.15 -1.72 -0.12 0.00 0.52 0.00 0.00 34.95 33.48 1pco s ARG 44 CO 0.38 -0.32 1.73 -1.91 0.02 0.00 0.00 175.30 175.20 1pco n GLU 45 N -1.31 2.59 -0.88 3.54 2.13 -1.26 -1.71 120.64 123.75 1pco n GLU 45 Ca -0.11 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1pco n GLU 45 Cb 0.66 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1pco n GLU 45 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pco n ASN 46 N 4.45 -2.63 -4.63 4.31 3.02 -0.44 -5.00 115.26 114.35 1pco n ASN 46 Ca 0.17 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 1pco n ASN 46 Cb 0.34 -0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 1pco n ASN 46 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pco s SER 47 N -2.09 4.75 -0.47 6.41 0.15 -0.69 -4.87 113.70 116.89 1pco s SER 47 Ca 0.00 -0.19 -0.29 0.00 0.70 0.00 0.00 55.95 56.17 1pco s SER 47 Cb 0.00 -1.09 0.03 0.00 -1.71 0.00 0.00 66.02 63.25 1pco s SER 47 CO 0.00 0.23 1.13 -0.70 1.20 0.00 0.00 173.24 175.10 1pco s GLU 48 N -1.86 3.75 0.12 5.44 2.12 -1.26 -1.15 118.70 125.85 1pco s GLU 48 Ca 0.21 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.14 1pco s GLU 48 Cb -0.11 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 1pco s GLU 48 CO 0.12 -1.34 0.27 0.00 -0.54 0.00 0.00 175.26 173.77 1pco s SER 50 N -2.84 6.26 0.14 0.00 0.15 -0.01 -0.96 113.70 116.45 1pco s SER 50 Ca 0.36 -0.13 -0.09 0.00 0.70 0.00 0.00 55.95 56.79 1pco s SER 50 Cb -0.12 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 1pco s SER 50 CO 0.28 -1.69 1.41 0.00 1.20 0.00 0.00 173.24 174.44 1pco h ALA 51 N 10.02 0.50 -0.06 5.45 0.00 -1.88 -3.36 119.26 129.93 1pco h ALA 51 Ca -0.27 -0.54 -0.68 0.00 0.00 0.00 0.00 54.91 53.42 1pco h ALA 51 Cb 1.06 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1pco h ALA 51 CO 1.23 0.69 3.64 1.97 0.00 0.00 0.00 179.25 186.78 1pco n PHE 52 N -3.96 2.58 -2.19 0.00 -1.74 -1.26 -5.00 117.46 105.89 1pco n PHE 52 Ca -0.05 -3.06 -0.41 0.00 -0.56 0.00 0.00 57.45 53.37 1pco n PHE 52 Cb 0.66 -2.45 -0.03 0.00 1.52 0.00 0.00 39.48 39.18 1pco n PHE 52 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1pco s THR 53 N 2.01 3.10 0.00 1.97 -4.23 -1.26 -5.02 115.64 112.21 1pco s THR 53 Ca 0.65 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 1pco s THR 53 Cb 0.17 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1pco s THR 53 CO -0.07 0.15 0.00 0.00 -0.54 0.00 0.00 174.62 174.17 1pco n LEU 54 N 2.35 0.00 -3.27 4.79 -0.00 -1.26 -5.06 117.00 114.55 1pco n LEU 54 Ca 0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.81 1pco n LEU 54 Cb 0.42 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.76 1pco n LEU 54 CO 0.58 0.00 -0.30 0.00 -0.00 0.00 0.00 177.39 177.67 1pco n TYR 55 N 0.00 -0.46 -0.10 1.47 9.36 -1.26 -5.09 117.16 121.08 1pco n TYR 55 Ca 0.00 -3.49 0.00 0.00 3.32 0.00 0.00 57.90 57.73 1pco n TYR 55 Cb 0.00 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 38.57 1pco n TYR 55 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1pco n GLY 56 N 1.90 1.88 3.82 2.98 0.00 -1.26 -4.56 105.19 109.95 1pco n GLY 56 Ca 0.24 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 0.55 4.66 -0.09 1.61 1.01 -1.26 -2.83 120.40 124.05 1pco s VAL 57 Ca 0.00 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.22 1pco s VAL 57 Cb 0.00 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1pco s VAL 57 CO 0.00 0.34 -0.20 -0.31 0.00 0.00 0.00 175.10 174.92 1pco s TYR 58 N -1.36 2.60 0.17 5.22 2.02 -0.26 -4.94 117.35 120.80 1pco s TYR 58 Ca 0.37 -0.75 -0.13 0.00 -0.37 0.00 0.00 57.07 56.19 1pco s TYR 58 Cb -0.18 -1.70 0.06 0.00 -0.40 0.00 0.00 41.96 39.74 1pco s TYR 58 CO 0.21 -0.24 1.76 1.88 -1.57 0.00 0.00 175.55 177.58 1pco h TYR 59 N 6.37 0.78 -3.18 2.71 -1.99 -1.90 -1.31 116.97 118.44 1pco h TYR 59 Ca -0.27 -0.03 -0.48 0.00 2.00 0.00 0.00 58.73 59.94 1pco h TYR 59 Cb 1.20 -0.24 -0.40 0.00 2.00 0.00 0.00 36.73 39.29 1pco h TYR 59 CO 0.47 0.60 -0.76 0.15 -0.00 0.00 0.00 178.16 178.62 1pco s LYS 60 N -5.74 0.37 0.68 4.88 1.02 -1.26 -4.55 119.74 115.15 1pco s LYS 60 Ca -0.13 -0.22 -0.17 0.00 0.02 0.00 0.00 55.97 55.47 1pco s LYS 60 Cb 0.12 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 35.51 1pco s LYS 60 CO 0.77 -0.62 0.59 0.00 -0.92 0.00 0.00 175.35 175.16 1pco n PRO 62 N -0.69 -2.26 -2.29 0.00 -0.04 -1.26 -3.84 135.00 124.61 1pco n PRO 62 Ca 0.11 -0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 62.61 1pco n PRO 62 Cb 0.49 -0.67 -0.03 0.00 -0.04 0.00 0.00 33.50 33.26 1pco n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pco n GLU 64 N -1.82 -2.75 -1.86 0.00 -0.00 -0.43 -4.81 120.64 108.97 1pco n GLU 64 Ca 0.06 -1.60 -0.43 0.00 -0.00 0.00 0.00 57.16 55.20 1pco n GLU 64 Cb 0.54 -1.45 -0.03 0.00 -0.00 0.00 0.00 31.44 30.51 1pco n GLU 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1pco s ARG 65 N -5.27 3.48 0.00 3.44 3.00 -1.26 -2.33 118.95 120.01 1pco s ARG 65 Ca 0.64 1.83 0.00 0.00 0.00 0.00 0.00 55.73 58.20 1pco s ARG 65 Cb -0.06 -4.21 0.00 0.00 0.00 0.00 0.00 34.95 30.68 1pco s ARG 65 CO 0.49 -1.68 0.00 0.41 0.00 0.00 0.00 175.30 174.51 1pco n GLY 66 N 5.23 0.88 2.93 -3.53 0.00 -1.26 -5.11 105.19 104.33 1pco n GLY 66 Ca 0.24 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 1.88 0.22 0.99 2.96 -0.99 -4.88 118.68 118.86 1pco s LEU 67 Ca 0.00 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.98 1pco s LEU 67 Cb 0.00 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.80 1pco s LEU 67 CO 0.00 -0.05 0.21 0.28 -1.32 0.00 0.00 176.35 175.46 1pco s THR 68 N -0.18 4.61 -0.76 3.68 -1.32 -0.33 -4.55 115.64 116.79 1pco s THR 68 Ca -0.02 -1.22 -0.20 0.00 -1.21 0.00 0.00 61.69 59.04 1pco s THR 68 Cb -0.02 -3.45 0.11 0.00 -1.51 0.00 0.00 72.50 67.64 1pco s THR 68 CO -0.00 -0.27 0.95 0.00 -2.21 0.00 0.00 174.62 173.10 1pco n GLU 70 N 6.66 0.54 -1.59 0.00 2.13 -0.05 -4.82 120.64 123.51 1pco n GLU 70 Ca 0.07 0.31 -0.41 0.00 0.66 0.00 0.00 57.16 57.78 1pco n GLU 70 Cb 0.46 -1.52 -0.01 0.00 0.27 0.00 0.00 31.44 30.64 1pco n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pco n GLY 71 N 1.41 4.20 3.58 8.31 0.00 -0.97 -4.73 105.19 116.99 1pco n GLY 71 Ca -0.28 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1pco n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pco s ASP 72 N 3.21 5.92 -1.35 1.61 1.11 -1.26 -2.62 116.67 123.29 1pco s ASP 72 Ca 0.51 0.59 -0.10 0.00 0.18 0.00 0.00 52.55 53.73 1pco s ASP 72 Cb 0.15 -2.54 0.12 0.00 1.07 0.00 0.00 42.92 41.71 1pco s ASP 72 CO -0.07 -1.82 2.11 0.29 1.18 0.00 0.00 175.17 176.87 1pco n LYS 73 N 8.65 3.65 -3.43 8.23 5.02 -0.29 -4.83 118.16 135.15 1pco n LYS 73 Ca 0.17 -3.24 -0.27 0.00 -2.02 0.00 0.00 58.31 52.95 1pco n LYS 73 Cb 0.49 -2.93 -0.10 0.00 -0.02 0.00 0.00 35.03 32.46 1pco n LYS 73 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pco s SER 74 N 1.31 1.82 -1.13 4.39 1.04 -1.26 -3.70 113.70 116.15 1pco s SER 74 Ca 0.46 -3.01 -0.07 0.00 0.48 0.00 0.00 55.95 53.80 1pco s SER 74 Cb 0.13 -0.51 0.27 0.00 0.10 0.00 0.00 66.02 66.00 1pco s SER 74 CO -0.04 -0.18 1.42 0.18 0.98 0.00 0.00 173.24 175.60 1pco n LEU 75 N 2.94 6.06 0.00 2.42 4.32 -1.26 -4.90 117.00 126.58 1pco n LEU 75 Ca 0.27 -5.00 0.00 0.00 -0.02 0.00 0.00 56.01 51.26 1pco n LEU 75 Cb 0.46 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 40.85 1pco n LEU 75 CO 0.10 1.44 0.00 0.55 -1.22 0.00 0.00 177.39 178.26 1pco n VAL 76 N 2.36 0.00 -2.93 4.08 3.14 -1.26 -3.65 118.33 120.07 1pco n VAL 76 Ca 0.28 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.53 1pco n VAL 76 Cb 0.36 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.16 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 0.00 1.58 3.14 7.55 0.00 -1.26 -5.09 105.19 111.11 1pco n GLY 77 Ca 0.00 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1pco n GLY 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pco n SER 78 N 0.90 4.78 -1.65 1.61 3.41 -1.24 -4.75 113.62 116.68 1pco n SER 78 Ca 0.14 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 1pco n SER 78 Cb 0.64 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 1pco n SER 78 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1pco n ILE 79 N 4.80 -8.97 -2.24 -1.33 2.08 -1.26 -4.84 119.36 107.59 1pco n ILE 79 Ca 0.44 1.99 0.12 0.00 0.56 0.00 0.00 62.75 65.86 1pco n ILE 79 Cb 0.41 -4.55 -0.03 0.00 -0.75 0.00 0.00 39.64 34.72 1pco n ILE 79 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1pco n THR 80 N 1.12 0.00 0.50 1.39 -2.24 -1.26 -3.96 114.28 109.83 1pco n THR 80 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1pco n THR 80 Cb 0.00 -0.29 0.16 0.00 -2.10 0.00 0.00 70.33 68.10 1pco n THR 80 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1pco n ASN 81 N -3.95 0.00 -4.13 3.42 0.23 -1.26 -4.57 115.26 105.00 1pco n ASN 81 Ca 0.01 -0.33 -0.44 0.00 -0.53 0.00 0.00 54.58 53.29 1pco n ASN 81 Cb 0.39 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.10 1pco n ASN 81 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1pco n THR 82 N -0.84 4.96 -3.25 5.53 -2.24 -1.25 -4.85 114.28 112.34 1pco n THR 82 Ca 0.04 -5.59 -0.36 0.00 -2.27 0.00 0.00 64.05 55.87 1pco n THR 82 Cb 0.02 -2.29 -0.03 0.00 -2.10 0.00 0.00 70.33 65.92 1pco n THR 82 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pco n ASN 83 N 2.16 5.14 -4.46 3.42 3.02 -1.26 -4.90 115.26 118.39 1pco n ASN 83 Ca 0.27 -3.38 -0.22 0.00 -0.03 0.00 0.00 54.58 51.21 1pco n ASN 83 Cb 0.36 -1.02 -0.11 0.00 -0.61 0.00 0.00 39.78 38.40 1pco n ASN 83 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pco s PHE 84 N -2.47 2.01 0.23 3.10 0.08 -1.24 -4.75 117.98 114.93 1pco s PHE 84 Ca 0.34 -0.82 0.09 0.00 0.12 0.00 0.00 56.93 56.65 1pco s PHE 84 Cb 0.07 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.21 1pco s PHE 84 CO 0.03 0.17 -0.15 0.20 -0.10 0.00 0.00 175.22 175.37 1pco s GLY 85 N -3.49 1.57 -0.13 4.36 0.00 -0.13 -1.14 107.32 108.37 1pco s GLY 85 Ca 0.33 -1.73 -0.18 0.00 0.00 0.00 0.00 44.72 43.14 1pco s GLY 85 CO 0.14 -1.81 0.47 -0.42 0.00 0.00 0.00 173.10 171.48 1pco s ILE 86 N -2.87 5.19 0.07 0.90 -1.09 -1.08 -0.18 121.20 122.14 1pco s ILE 86 Ca 0.25 0.94 -0.31 0.00 -2.23 0.00 0.00 60.65 59.30 1pco s ILE 86 Cb -0.01 -3.81 -0.08 0.00 -1.58 0.00 0.00 42.46 36.97 1pco s ILE 86 CO 0.09 0.32 1.69 0.00 -1.23 0.00 0.00 174.94 175.81 1pco s HIS 88 N 2.83 0.40 -0.17 0.00 3.76 0.03 -1.32 115.29 120.82 1pco s HIS 88 Ca 0.76 -0.85 -0.12 0.00 -0.15 0.00 0.00 55.06 54.70 1pco s HIS 88 Cb -0.40 -0.22 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 1pco s HIS 88 CO 0.33 -0.51 0.21 1.21 -0.85 0.00 0.00 174.74 175.14 1pco s ASN 89 N -2.92 6.35 -0.96 1.40 3.84 -1.26 -1.19 114.94 120.20 1pco s ASN 89 Ca 0.10 0.40 -0.02 0.00 0.21 0.00 0.00 52.86 53.55 1pco s ASN 89 Cb 0.06 -2.13 0.29 0.00 -0.55 0.00 0.00 41.25 38.92 1pco s ASN 89 CO -0.08 0.17 1.25 0.52 -2.79 0.00 0.00 177.10 176.17 1pco n VAL 90 N 3.32 4.44 -2.26 -5.21 0.31 -1.26 -4.97 118.33 112.70 1pco n VAL 90 Ca -0.15 -5.69 -0.42 0.00 -0.01 0.00 0.00 64.34 58.07 1pco n VAL 90 Cb 0.52 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 1pco n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pco n GLY 91 N 1.31 4.81 0.24 2.92 0.00 -1.26 -4.84 105.19 108.36 1pco n GLY 91 Ca 0.27 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 1pco n GLY 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pco h ARG 92 N 5.61 0.73 0.00 1.61 0.11 -2.07 -3.58 114.38 116.79 1pco h ARG 92 Ca 0.44 -0.43 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1pco h ARG 92 Cb 0.59 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1pco h ARG 92 CO 1.63 1.05 0.00 0.45 0.10 0.00 0.00 179.97 183.20