#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 1.95 -0.11 1.45 0.02 -1.26 -4.91 135.00 132.13 1pco s PRO 2 Ca 0.00 0.15 -0.06 0.00 0.02 0.00 0.00 61.00 61.11 1pco s PRO 2 Cb 0.00 -4.90 0.05 0.00 0.02 0.00 0.00 34.50 29.67 1pco s PRO 2 CO 0.00 -4.09 0.26 0.34 -0.33 0.00 0.00 177.00 173.18 1pco s ASP 3 N 9.70 -0.24 -1.23 2.53 2.15 -1.26 -5.10 116.67 123.21 1pco s ASP 3 Ca 0.84 0.56 -0.19 0.00 0.43 0.00 0.00 52.55 54.18 1pco s ASP 3 Cb -0.10 0.46 -0.01 0.00 -0.30 0.00 0.00 42.92 42.97 1pco s ASP 3 CO 0.05 -0.17 1.88 -0.81 -0.17 0.00 0.00 175.17 175.95 1pco n PRO 4 N 4.31 2.46 0.00 4.34 -0.04 -1.26 -4.75 135.00 140.06 1pco n PRO 4 Ca -0.24 -2.79 0.11 0.00 -0.04 0.00 0.00 63.50 60.54 1pco n PRO 4 Cb 0.53 -3.49 0.06 0.00 -0.04 0.00 0.00 33.50 30.56 1pco n PRO 4 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pco n ARG 5 N 7.94 1.89 0.00 0.54 1.74 -1.26 -5.04 116.66 122.47 1pco n ARG 5 Ca 0.48 -1.58 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 1pco n ARG 5 Cb 0.45 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 1.32 2.04 3.44 -0.13 0.00 -1.26 -4.80 105.19 105.79 1pco n GLY 6 Ca 0.12 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 1pco n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pco s ILE 7 N 0.00 5.16 -0.49 -0.61 1.01 -1.26 -4.98 121.20 120.03 1pco s ILE 7 Ca 0.00 -2.59 -0.12 0.00 0.00 0.00 0.00 60.65 57.94 1pco s ILE 7 Cb 0.00 -4.83 0.11 0.00 0.01 0.00 0.00 42.46 37.76 1pco s ILE 7 CO 0.00 -1.52 0.40 -0.63 0.00 0.00 0.00 174.94 173.19 1pco s ILE 8 N 1.26 4.67 -0.02 2.92 1.01 -1.26 -4.97 121.20 124.82 1pco s ILE 8 Ca 0.38 -1.57 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 1pco s ILE 8 Cb -0.04 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 1pco s ILE 8 CO -0.03 -0.76 -0.03 2.30 0.00 0.00 0.00 174.94 176.42 1pco n ILE 9 N 5.06 0.13 -3.16 2.92 -0.00 -1.26 -5.09 119.36 117.96 1pco n ILE 9 Ca -0.11 0.47 -0.15 0.00 -0.00 0.00 0.00 62.75 62.97 1pco n ILE 9 Cb 0.41 -1.58 0.01 0.00 -0.00 0.00 0.00 39.64 38.49 1pco n ILE 9 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1pco n ASN 10 N -2.63 -7.03 -3.96 7.28 6.94 -0.82 -4.99 115.26 110.05 1pco n ASN 10 Ca -0.01 0.06 -0.25 0.00 -0.02 0.00 0.00 54.58 54.36 1pco n ASN 10 Cb 0.04 -4.14 -0.17 0.00 -2.36 0.00 0.00 39.78 33.15 1pco n ASN 10 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1pco s LEU 11 N -3.22 1.43 0.75 -4.53 2.96 -0.40 -4.87 118.68 110.80 1pco s LEU 11 Ca 0.19 -0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 1pco s LEU 11 Cb -0.04 -0.78 0.05 0.00 0.50 0.00 0.00 46.19 45.92 1pco s LEU 11 CO 0.80 -0.03 1.13 -1.81 -1.32 0.00 0.00 176.35 175.12 1pco s ASP 12 N 1.09 4.97 0.32 3.68 1.11 -1.26 -2.26 116.67 124.32 1pco s ASP 12 Ca -0.07 0.93 -0.29 0.00 0.18 0.00 0.00 52.55 53.30 1pco s ASP 12 Cb -0.14 -1.58 -0.11 0.00 1.07 0.00 0.00 42.92 42.16 1pco s ASP 12 CO -0.01 -1.62 1.43 -0.70 1.18 0.00 0.00 175.17 175.45 1pco s GLU 13 N -5.45 4.23 0.00 8.23 -6.30 -1.26 -3.87 118.70 114.27 1pco s GLU 13 Ca 0.60 2.39 0.00 0.00 -2.50 0.00 0.00 54.97 55.46 1pco s GLU 13 Cb -0.11 -3.04 0.00 0.00 0.00 0.00 0.00 34.13 30.98 1pco s GLU 13 CO 0.50 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.78 1pco n GLY 14 N 1.21 0.91 3.84 -1.50 0.00 -0.74 -4.93 105.19 103.98 1pco n GLY 14 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.61 3.62 0.22 1.61 0.41 -1.25 -4.78 118.70 117.92 1pco s GLU 15 Ca 0.00 -0.16 -0.30 0.00 -0.41 0.00 0.00 54.97 54.10 1pco s GLU 15 Cb 0.00 -3.24 -0.09 0.00 -1.78 0.00 0.00 34.13 29.02 1pco s GLU 15 CO 0.00 0.65 1.38 -0.51 -0.49 0.00 0.00 175.26 176.30 1pco s LEU 16 N -0.67 4.40 0.48 1.80 1.43 -1.26 -0.65 118.68 124.20 1pco s LEU 16 Ca 0.13 2.53 0.02 0.00 -1.03 0.00 0.00 54.13 55.78 1pco s LEU 16 Cb -0.12 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1pco s LEU 16 CO 0.02 -0.62 0.04 0.00 0.23 0.00 0.00 176.35 176.02 1pco n LEU 18 N -1.14 0.00 0.00 0.00 4.77 -1.26 -4.56 117.00 114.80 1pco n LEU 18 Ca -0.15 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.76 1pco n LEU 18 Cb 0.66 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1pco n LEU 18 CO 0.38 -0.28 0.20 -0.46 -1.33 0.00 0.00 177.39 175.89 1pco n ASN 19 N -1.96 0.41 -0.35 -1.43 0.23 -1.26 -4.68 115.26 106.23 1pco n ASN 19 Ca 0.00 -1.36 0.12 0.00 -0.53 0.00 0.00 54.58 52.81 1pco n ASN 19 Cb 0.00 -0.23 0.21 0.00 -2.08 0.00 0.00 39.78 37.69 1pco n ASN 19 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1pco n SER 20 N -3.00 1.45 0.00 0.53 2.88 -1.25 -4.40 113.62 109.83 1pco n SER 20 Ca 0.05 -1.16 0.11 0.00 -1.33 0.00 0.00 58.87 56.54 1pco n SER 20 Cb 0.20 0.29 0.63 0.00 -0.75 0.00 0.00 64.21 64.58 1pco n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pco n ALA 21 N -0.39 2.45 0.03 -1.46 0.00 -1.26 -2.20 120.51 117.68 1pco n ALA 21 Ca 0.11 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1pco n ALA 21 Cb 0.40 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.91 0.64 0.00 0.00 6.02 -1.26 -4.89 117.38 116.98 1pco n GLN 22 Ca 0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1pco n GLN 22 Cb 0.07 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.67 1pco n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pco n LYS 24 N 0.00 0.00 -0.05 0.00 4.76 -0.96 -1.27 118.16 120.64 1pco n LYS 24 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1pco n LYS 24 Cb 0.00 -0.54 -0.01 0.00 -1.84 0.00 0.00 35.03 32.64 1pco n LYS 24 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1pco h SER 25 N 0.00 0.00 -0.50 4.39 4.64 -1.94 -3.29 113.55 116.86 1pco h SER 25 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pco h SER 25 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 1pco h SER 25 CO 0.00 0.50 -0.25 0.20 -0.87 0.00 0.00 176.83 176.41 1pco s ASN 26 N -5.01 -0.74 -0.35 4.97 0.01 -1.26 -4.91 114.94 107.64 1pco s ASN 26 Ca -0.09 -0.64 0.05 0.00 -0.71 0.00 0.00 52.86 51.48 1pco s ASN 26 Cb 0.01 0.96 0.17 0.00 0.41 0.00 0.00 41.25 42.81 1pco s ASN 26 CO 0.13 -0.05 0.51 0.00 -1.51 0.00 0.00 177.10 176.18 1pco s GLN 29 N -0.65 4.39 0.00 0.00 -1.52 0.16 -1.54 119.66 120.50 1pco s GLN 29 Ca 0.10 1.35 0.00 0.00 -1.95 0.00 0.00 55.36 54.86 1pco s GLN 29 Cb -0.11 -3.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.12 1pco s GLN 29 CO 0.01 -0.35 0.00 -2.39 -0.25 0.00 0.00 175.29 172.30 1pco n HIS 30 N 5.18 0.00 -0.23 0.91 1.44 -0.18 -2.80 115.22 119.54 1pco n HIS 30 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 1pco n HIS 30 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1pco n HIS 30 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1pco n ASP 31 N -0.09 -0.29 -0.24 4.39 5.68 -1.25 -4.66 116.55 120.09 1pco n ASP 31 Ca 0.00 -0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 1pco n ASP 31 Cb 0.00 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1pco n ASP 31 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1pco n THR 32 N 0.87 0.01 0.14 2.12 5.66 -1.26 -4.95 114.28 116.86 1pco n THR 32 Ca 0.00 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1pco n THR 32 Cb 0.07 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 69.61 1pco n THR 32 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1pco n ILE 33 N -0.01 0.00 0.02 1.09 -5.35 -1.26 -5.05 119.36 108.80 1pco n ILE 33 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1pco n ILE 33 Cb 0.59 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 1pco n ILE 33 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1pco n LEU 34 N -3.40 0.06 -4.93 7.28 4.77 -1.26 -5.15 117.00 114.36 1pco n LEU 34 Ca 0.00 0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.80 1pco n LEU 34 Cb 0.00 0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1pco n LEU 34 CO 0.00 -0.55 0.39 -0.94 -1.33 0.00 0.00 177.39 174.96 1pco s SER 35 N -4.58 5.80 0.89 -1.43 1.04 -1.26 -5.09 113.70 109.07 1pco s SER 35 Ca 0.00 0.52 -0.11 0.00 0.48 0.00 0.00 55.95 56.84 1pco s SER 35 Cb 0.00 -1.69 0.13 0.00 0.10 0.00 0.00 66.02 64.56 1pco s SER 35 CO 0.00 -0.81 1.10 -0.22 0.98 0.00 0.00 173.24 174.29 1pco s LEU 36 N -4.73 2.45 -0.15 2.42 2.96 -1.26 -3.90 118.68 116.47 1pco s LEU 36 Ca 0.50 1.73 -0.18 0.00 -0.22 0.00 0.00 54.13 55.96 1pco s LEU 36 Cb -0.10 -4.17 -0.04 0.00 0.50 0.00 0.00 46.19 42.38 1pco s LEU 36 CO 0.41 -2.73 0.49 -0.44 -1.32 0.00 0.00 176.35 172.76 1pco s SER 37 N -3.17 6.62 0.17 3.68 0.01 -1.26 -4.47 113.70 115.29 1pco s SER 37 Ca 0.64 0.74 0.08 0.00 1.31 0.00 0.00 55.95 58.72 1pco s SER 37 Cb -0.19 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1pco s SER 37 CO 0.58 -0.07 -0.02 -0.13 0.41 0.00 0.00 173.24 174.00 1pco s ARG 38 N 1.03 2.32 0.65 12.44 0.52 -1.12 -1.29 118.95 133.50 1pco s ARG 38 Ca 0.25 -1.14 -0.17 0.00 -0.52 0.00 0.00 55.73 54.14 1pco s ARG 38 Cb -0.15 -2.31 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 1pco s ARG 38 CO 0.10 0.45 1.22 0.00 0.02 0.00 0.00 175.30 177.09 1pco n ALA 40 N -2.04 0.17 -2.53 0.00 0.00 -0.55 -1.79 120.51 113.78 1pco n ALA 40 Ca 0.14 -0.56 -0.24 0.00 0.00 0.00 0.00 53.44 52.78 1pco n ALA 40 Cb 0.50 0.40 -0.12 0.00 0.00 0.00 0.00 19.45 20.22 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 2.31 0.46 0.00 1.43 -1.26 -4.43 118.68 117.19 1pco s LEU 41 Ca 0.07 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.23 1pco s LEU 41 Cb 0.00 -0.89 -0.08 0.00 0.03 0.00 0.00 46.19 45.26 1pco s LEU 41 CO 0.05 0.05 1.33 -0.54 0.23 0.00 0.00 176.35 177.47 1pco s LYS 42 N -1.98 3.69 0.39 1.70 1.02 -1.26 -4.63 119.74 118.66 1pco s LYS 42 Ca 0.07 2.19 -0.23 0.00 0.02 0.00 0.00 55.97 58.01 1pco s LYS 42 Cb -0.10 -2.57 -0.10 0.00 -0.52 0.00 0.00 37.83 34.54 1pco s LYS 42 CO 0.04 -0.74 0.99 0.00 -0.92 0.00 0.00 175.35 174.73 1pco s ALA 43 N -1.29 3.09 0.42 5.17 0.00 -0.78 -4.74 121.76 123.62 1pco s ALA 43 Ca 0.62 0.55 0.08 0.00 0.00 0.00 0.00 51.96 53.21 1pco s ALA 43 Cb -0.39 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1pco s ALA 43 CO 0.48 -0.01 0.53 1.03 0.00 0.00 0.00 175.76 177.80 1pco s ARG 44 N -2.63 2.75 0.10 0.00 3.00 -1.26 -2.83 118.95 118.08 1pco s ARG 44 Ca 0.58 -1.32 -0.31 0.00 0.00 0.00 0.00 55.73 54.67 1pco s ARG 44 Cb -0.17 -2.67 -0.11 0.00 0.00 0.00 0.00 34.95 32.01 1pco s ARG 44 CO 0.22 -0.27 1.86 -1.91 0.00 0.00 0.00 175.30 175.19 1pco n GLU 45 N -1.79 2.75 -1.01 3.54 2.13 -1.26 -1.65 120.64 123.35 1pco n GLU 45 Ca 0.07 1.00 0.00 0.00 0.66 0.00 0.00 57.16 58.89 1pco n GLU 45 Cb 0.60 -2.90 0.00 0.00 0.27 0.00 0.00 31.44 29.41 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 5.93 -2.18 -4.36 4.31 3.02 -0.60 -5.01 115.26 116.37 1pco n ASN 46 Ca 0.19 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.46 1pco n ASN 46 Cb 0.37 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.84 3.12 0.36 6.41 0.15 -0.66 -4.91 113.70 115.34 1pco s SER 47 Ca 0.00 -0.74 -0.27 0.00 0.70 0.00 0.00 55.95 55.64 1pco s SER 47 Cb 0.00 -0.20 -0.09 0.00 -1.71 0.00 0.00 66.02 64.02 1pco s SER 47 CO 0.00 0.15 1.23 -1.61 1.20 0.00 0.00 173.24 174.21 1pco s GLU 48 N -2.04 4.25 0.02 5.44 2.02 -1.26 -1.14 118.70 125.98 1pco s GLU 48 Ca 0.12 2.02 -0.00 0.00 0.02 0.00 0.00 54.97 57.13 1pco s GLU 48 Cb -0.10 -2.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 1pco s GLU 48 CO 0.06 -0.21 -0.01 0.00 0.02 0.00 0.00 175.26 175.11 1pco s SER 50 N -1.28 6.49 0.00 0.00 1.04 -0.20 -2.64 113.70 117.12 1pco s SER 50 Ca -0.14 0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1pco s SER 50 Cb -0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1pco s SER 50 CO -0.01 -1.33 0.42 0.00 0.98 0.00 0.00 173.24 173.30 1pco n ALA 51 N 8.30 2.22 0.16 5.32 0.00 -1.26 -4.25 120.51 131.00 1pco n ALA 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1pco n ALA 51 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1pco n ALA 51 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1pco n PHE 52 N 0.10 -3.82 -0.64 0.00 -1.74 -1.26 -4.95 117.46 105.15 1pco n PHE 52 Ca 0.00 1.04 0.00 0.00 -0.56 0.00 0.00 57.45 57.93 1pco n PHE 52 Cb 0.21 2.70 0.00 0.00 1.52 0.00 0.00 39.48 43.91 1pco n PHE 52 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1pco n THR 53 N -3.15 -1.64 0.00 1.97 -2.24 -1.26 -5.11 114.28 102.86 1pco n THR 53 Ca 0.00 0.71 0.00 0.00 -2.27 0.00 0.00 64.05 62.49 1pco n THR 53 Cb 0.00 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 1pco n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pco n LEU 54 N -1.66 0.00 -3.22 3.22 -0.00 -1.26 -5.07 117.00 109.01 1pco n LEU 54 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 1pco n LEU 54 Cb 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.49 1pco n LEU 54 CO 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 177.39 177.16 1pco n TYR 55 N 0.00 0.34 -2.58 1.47 9.36 -1.26 -5.08 117.16 119.41 1pco n TYR 55 Ca 0.00 -3.68 0.00 0.00 3.32 0.00 0.00 57.90 57.54 1pco n TYR 55 Cb 0.00 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.32 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 1.19 1.05 3.81 2.98 0.00 -1.26 -4.87 105.19 108.09 1pco n GLY 56 Ca 0.23 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.78 3.92 -0.02 1.61 1.01 -1.26 -3.81 120.40 120.06 1pco s VAL 57 Ca 0.00 0.92 0.06 0.00 0.00 0.00 0.00 61.98 62.97 1pco s VAL 57 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1pco s VAL 57 CO 0.00 -0.52 -0.22 -0.31 0.00 0.00 0.00 175.10 174.05 1pco s TYR 58 N -2.46 1.99 0.18 5.22 2.02 -0.59 -4.76 117.35 118.94 1pco s TYR 58 Ca 0.63 -0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 56.84 1pco s TYR 58 Cb -0.15 -1.29 0.06 0.00 -0.40 0.00 0.00 41.96 40.18 1pco s TYR 58 CO 0.35 -0.06 1.55 1.88 -1.57 0.00 0.00 175.55 177.70 1pco h TYR 59 N 5.70 1.02 -2.72 2.71 0.05 -1.89 -0.46 116.97 121.38 1pco h TYR 59 Ca -0.39 -0.27 -0.38 0.00 0.05 0.00 0.00 58.73 57.74 1pco h TYR 59 Cb 1.14 -0.23 -0.38 0.00 1.01 0.00 0.00 36.73 38.27 1pco h TYR 59 CO 0.40 1.06 -0.68 0.15 -1.05 0.00 0.00 178.16 178.04 1pco s LYS 60 N -4.53 0.15 0.62 4.88 -0.14 -1.26 -4.85 119.74 114.61 1pco s LYS 60 Ca -0.10 0.05 -0.18 0.00 -1.36 0.00 0.00 55.97 54.38 1pco s LYS 60 Cb 0.12 -1.42 -0.06 0.00 -1.68 0.00 0.00 37.83 34.79 1pco s LYS 60 CO 0.86 -0.69 0.72 0.00 -0.76 0.00 0.00 175.35 175.48 1pco s PRO 62 N -2.55 0.04 0.57 0.00 0.04 -1.26 -3.69 135.00 128.15 1pco s PRO 62 Ca 0.72 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 62.55 1pco s PRO 62 Cb -0.41 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1pco s PRO 62 CO 0.52 -3.12 1.14 0.00 0.04 0.00 0.00 177.00 175.57 1pco s GLU 64 N -3.40 1.78 -0.13 0.00 -1.05 -1.13 -4.81 118.70 109.96 1pco s GLU 64 Ca 0.72 0.87 -0.34 0.00 -0.15 0.00 0.00 54.97 56.07 1pco s GLU 64 Cb -0.24 -1.87 -0.12 0.00 -0.44 0.00 0.00 34.13 31.47 1pco s GLU 64 CO 0.30 -1.89 1.92 0.54 0.95 0.00 0.00 175.26 177.08 1pco n ARG 65 N -3.65 2.00 0.00 -4.83 5.12 -1.26 -1.70 116.66 112.35 1pco n ARG 65 Ca 0.07 0.72 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 1pco n ARG 65 Cb 0.55 -2.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.22 1pco n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pco n GLY 66 N 4.67 1.89 3.89 -0.13 0.00 -1.26 -5.10 105.19 109.15 1pco n GLY 66 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 1pco n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pco s LEU 67 N 0.00 4.38 0.25 0.99 1.02 -0.69 -4.18 118.68 120.45 1pco s LEU 67 Ca 0.00 0.42 0.09 0.00 0.02 0.00 0.00 54.13 54.66 1pco s LEU 67 Cb 0.00 -2.47 -0.04 0.00 0.02 0.00 0.00 46.19 43.70 1pco s LEU 67 CO 0.00 0.30 0.01 0.28 0.02 0.00 0.00 176.35 176.96 1pco s THR 68 N -1.23 3.56 -1.20 5.49 -1.32 0.57 -4.60 115.64 116.91 1pco s THR 68 Ca 0.24 -1.80 -0.14 0.00 -1.21 0.00 0.00 61.69 58.77 1pco s THR 68 Cb -0.13 -2.89 0.16 0.00 -1.51 0.00 0.00 72.50 68.14 1pco s THR 68 CO 0.14 -0.33 1.44 0.00 -2.21 0.00 0.00 174.62 173.66 1pco s GLU 70 N 1.87 2.97 0.00 0.00 2.56 0.08 -4.54 118.70 121.65 1pco s GLU 70 Ca 0.43 -1.48 0.00 0.00 0.00 0.00 0.00 54.97 53.92 1pco s GLU 70 Cb -0.02 -4.18 0.00 0.00 2.00 0.00 0.00 34.13 31.92 1pco s GLU 70 CO 0.00 -1.13 0.00 0.41 -0.56 0.00 0.00 175.26 173.98 1pco n GLY 71 N 5.21 -1.31 3.75 -1.50 0.00 -1.26 -1.80 105.19 108.28 1pco n GLY 71 Ca -0.13 0.67 -0.37 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.00 6.59 -0.34 1.61 1.11 -1.16 -4.89 116.67 115.60 1pco s ASP 72 Ca 0.00 0.70 -0.29 0.00 0.18 0.00 0.00 52.55 53.14 1pco s ASP 72 Cb 0.00 -2.23 0.00 0.00 1.07 0.00 0.00 42.92 41.77 1pco s ASP 72 CO 0.00 0.12 1.36 -0.75 1.18 0.00 0.00 175.17 177.09 1pco s LYS 73 N 0.16 3.78 0.03 8.23 2.47 -1.26 -2.65 119.74 130.49 1pco s LYS 73 Ca 0.21 1.15 0.20 0.00 -1.56 0.00 0.00 55.97 55.97 1pco s LYS 73 Cb -0.14 -3.94 0.83 0.00 -1.46 0.00 0.00 37.83 33.11 1pco s LYS 73 CO 0.08 -1.30 1.62 0.43 0.16 0.00 0.00 175.35 176.34 1pco n SER 74 N 8.13 0.10 -3.90 1.43 7.64 -1.23 -4.49 113.62 121.29 1pco n SER 74 Ca 0.16 0.52 -0.42 0.00 1.01 0.00 0.00 58.87 60.13 1pco n SER 74 Cb 0.47 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1pco n SER 74 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pco n LEU 75 N -1.60 6.49 0.05 -3.43 4.32 -1.26 -4.46 117.00 117.11 1pco n LEU 75 Ca 0.04 -4.18 0.00 0.00 -0.02 0.00 0.00 56.01 51.85 1pco n LEU 75 Cb 0.23 -1.65 0.00 0.00 -1.62 0.00 0.00 43.42 40.38 1pco n LEU 75 CO 0.18 0.98 0.00 0.52 -1.22 0.00 0.00 177.39 177.86 1pco n VAL 76 N 5.05 1.13 -2.83 4.08 0.31 -1.26 -4.98 118.33 119.83 1pco n VAL 76 Ca 0.49 0.37 -0.15 0.00 -0.01 0.00 0.00 64.34 65.04 1pco n VAL 76 Cb 0.40 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1pco n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pco n GLY 77 N 3.42 3.03 7.00 2.92 0.00 -1.26 -5.12 105.19 115.17 1pco n GLY 77 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.01 0.00 -3.72 1.61 7.64 -1.26 -3.42 113.62 114.46 1pco n SER 78 Ca 0.19 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.66 1pco n SER 78 Cb 0.72 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.93 1pco n SER 78 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1pco n ILE 79 N 0.00 5.72 -4.23 0.44 -6.64 -1.26 -4.98 119.36 108.40 1pco n ILE 79 Ca 0.00 -5.65 -0.17 0.00 -1.77 0.00 0.00 62.75 55.15 1pco n ILE 79 Cb 0.00 -1.80 -0.11 0.00 -1.44 0.00 0.00 39.64 36.29 1pco n ILE 79 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1pco s THR 80 N -3.25 1.26 -1.36 7.28 -4.23 -1.22 -4.99 115.64 109.13 1pco s THR 80 Ca 0.39 -1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 59.08 1pco s THR 80 Cb 0.15 -1.48 0.09 0.00 1.34 0.00 0.00 72.50 72.60 1pco s THR 80 CO -0.06 -0.43 1.96 -3.20 -0.54 0.00 0.00 174.62 172.35 1pco n ASN 81 N 0.57 4.54 -0.01 3.99 5.15 -1.26 -4.71 115.26 123.53 1pco n ASN 81 Ca -0.16 -2.94 -0.02 0.00 -0.60 0.00 0.00 54.58 50.86 1pco n ASN 81 Cb 0.57 -1.62 -0.01 0.00 -0.53 0.00 0.00 39.78 38.19 1pco n ASN 81 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1pco n THR 82 N 4.84 0.40 -3.74 -0.44 5.66 -1.26 -5.08 114.28 114.66 1pco n THR 82 Ca 0.47 0.31 -0.14 0.00 -3.05 0.00 0.00 64.05 61.63 1pco n THR 82 Cb 0.40 -1.55 -0.15 0.00 -1.55 0.00 0.00 70.33 67.48 1pco n THR 82 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1pco s ASN 83 N -4.78 0.06 0.02 1.09 0.01 -1.26 -5.10 114.94 104.96 1pco s ASN 83 Ca -0.05 0.28 0.02 0.00 -0.71 0.00 0.00 52.86 52.39 1pco s ASN 83 Cb 0.01 0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.83 1pco s ASN 83 CO 0.08 -0.16 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.09 1pco s PHE 84 N 1.36 0.47 0.72 2.20 0.08 -1.23 -3.49 117.98 118.09 1pco s PHE 84 Ca -0.07 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.60 1pco s PHE 84 Cb -0.12 -0.30 0.02 0.00 -0.57 0.00 0.00 43.02 42.06 1pco s PHE 84 CO -0.06 -0.05 1.09 0.20 -0.10 0.00 0.00 175.22 176.30 1pco s GLY 85 N -0.75 1.63 -0.16 4.36 0.00 -1.08 -2.99 107.32 108.33 1pco s GLY 85 Ca -0.04 -0.27 -0.07 0.00 0.00 0.00 0.00 44.72 44.34 1pco s GLY 85 CO -0.00 0.10 0.06 -0.42 0.00 0.00 0.00 173.10 172.84 1pco s ILE 86 N -3.29 4.82 0.00 0.90 -1.09 -0.75 -0.87 121.20 120.93 1pco s ILE 86 Ca 0.58 -0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 1pco s ILE 86 Cb -0.12 -3.14 -0.08 0.00 -1.58 0.00 0.00 42.46 37.54 1pco s ILE 86 CO 0.53 0.50 1.89 0.00 -1.23 0.00 0.00 174.94 176.62 1pco s HIS 88 N 4.43 0.17 -0.97 0.00 3.76 -0.60 -1.55 115.29 120.53 1pco s HIS 88 Ca 0.84 -0.44 -0.16 0.00 -0.15 0.00 0.00 55.06 55.15 1pco s HIS 88 Cb -0.40 -0.12 0.17 0.00 1.11 0.00 0.00 32.58 33.34 1pco s HIS 88 CO 0.38 -0.36 1.09 1.21 -0.85 0.00 0.00 174.74 176.22 1pco s ASN 89 N -2.01 6.80 -0.49 1.40 2.47 -1.26 -0.32 114.94 121.52 1pco s ASN 89 Ca -0.06 -2.49 0.03 0.00 0.42 0.00 0.00 52.86 50.75 1pco s ASN 89 Cb -0.02 -2.34 0.14 0.00 -1.45 0.00 0.00 41.25 37.58 1pco s ASN 89 CO -0.04 -0.83 0.29 -0.69 -3.72 0.00 0.00 177.10 172.12 1pco s VAL 90 N 1.57 1.77 0.31 -5.21 1.01 -1.26 -5.03 120.40 113.56 1pco s VAL 90 Ca 0.31 -2.98 0.07 0.00 0.00 0.00 0.00 61.98 59.38 1pco s VAL 90 Cb -0.06 -2.22 0.31 0.00 0.00 0.00 0.00 36.38 34.41 1pco s VAL 90 CO -0.08 -0.92 1.76 1.23 0.00 0.00 0.00 175.10 177.09 1pco h GLY 91 N 6.39 1.81 -7.51 4.51 0.00 -1.91 -3.29 103.07 103.07 1pco h GLY 91 Ca 0.02 -0.34 -0.65 0.00 0.00 0.00 0.00 47.33 46.36 1pco h GLY 91 CO 0.55 -0.12 1.72 -1.60 0.00 0.00 0.00 176.54 177.09 1pco s ARG 92 N -5.82 3.81 0.00 4.80 3.52 -1.26 -5.17 118.95 118.82 1pco s ARG 92 Ca -0.11 -1.69 0.00 0.00 -0.13 0.00 0.00 55.73 53.80 1pco s ARG 92 Cb 0.26 -5.37 0.00 0.00 -1.56 0.00 0.00 34.95 28.28 1pco s ARG 92 CO 0.80 -2.15 0.00 0.45 -0.81 0.00 0.00 175.30 173.59