#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pco n PRO 2 N 0.00 1.67 -0.04 7.34 -0.02 -1.26 -4.74 135.00 137.95 1pco n PRO 2 Ca 0.00 -2.38 -0.03 0.00 -2.02 0.00 0.00 63.50 59.07 1pco n PRO 2 Cb 0.00 -3.54 -0.01 0.00 -0.02 0.00 0.00 33.50 29.93 1pco n PRO 2 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1pco n ASP 3 N 12.54 0.99 -4.55 2.55 2.03 -1.26 -4.76 116.55 124.08 1pco n ASP 3 Ca 0.46 0.39 -0.39 0.00 0.52 0.00 0.00 54.79 55.77 1pco n ASP 3 Cb 0.45 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 40.14 1pco n ASP 3 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1pco s PRO 4 N -1.76 3.05 -1.37 -0.67 0.04 -1.26 -4.28 135.00 128.75 1pco s PRO 4 Ca -0.10 -0.16 -0.11 0.00 0.04 0.00 0.00 61.00 60.68 1pco s PRO 4 Cb 0.01 -4.48 0.10 0.00 0.04 0.00 0.00 34.50 30.17 1pco s PRO 4 CO 0.15 -2.41 2.08 0.54 0.04 0.00 0.00 177.00 177.40 1pco n ARG 5 N 9.21 3.35 0.00 4.56 5.12 -0.94 -4.53 116.66 133.43 1pco n ARG 5 Ca 0.15 -3.10 0.00 0.00 -1.93 0.00 0.00 57.85 52.97 1pco n ARG 5 Cb 0.50 -3.06 0.00 0.00 -1.16 0.00 0.00 32.46 28.74 1pco n ARG 5 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pco n GLY 6 N 3.31 -1.10 1.90 -0.13 0.00 -1.26 -4.78 105.19 103.13 1pco n GLY 6 Ca 0.47 0.67 0.00 0.00 0.00 0.00 0.00 46.02 47.16 1pco n GLY 6 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pco n ILE 7 N 0.00 0.08 0.03 -0.61 0.13 -1.26 -5.06 119.36 112.66 1pco n ILE 7 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.68 1pco n ILE 7 Cb 0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 39.64 38.40 1pco n ILE 7 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1pco n ILE 8 N -3.07 0.09 -0.98 9.51 3.06 -1.26 -5.07 119.36 121.64 1pco n ILE 8 Ca 0.00 0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1pco n ILE 8 Cb 0.00 -0.41 0.00 0.00 0.54 0.00 0.00 39.64 39.77 1pco n ILE 8 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1pco n ILE 9 N -2.76 0.00 -2.92 9.51 -5.35 -1.26 -4.91 119.36 111.68 1pco n ILE 9 Ca 0.00 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 1pco n ILE 9 Cb 0.00 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 37.91 1pco n ILE 9 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1pco n ASN 10 N 0.00 -7.72 -3.76 7.28 5.15 0.38 -4.72 115.26 111.87 1pco n ASN 10 Ca 0.00 0.47 -0.13 0.00 -0.60 0.00 0.00 54.58 54.32 1pco n ASN 10 Cb 0.00 -5.02 -0.09 0.00 -0.53 0.00 0.00 39.78 34.13 1pco n ASN 10 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1pco s LEU 11 N -2.59 0.77 0.75 1.20 2.34 -1.22 -4.61 118.68 115.33 1pco s LEU 11 Ca 0.26 0.33 -0.08 0.00 0.06 0.00 0.00 54.13 54.71 1pco s LEU 11 Cb -0.07 1.25 0.09 0.00 -0.56 0.00 0.00 46.19 46.90 1pco s LEU 11 CO 0.78 -0.32 1.07 -1.81 -1.06 0.00 0.00 176.35 175.01 1pco s ASP 12 N -0.73 4.54 0.13 1.48 1.01 -1.26 -0.55 116.67 121.29 1pco s ASP 12 Ca -0.08 0.39 -0.31 0.00 0.71 0.00 0.00 52.55 53.26 1pco s ASP 12 Cb -0.04 -0.93 -0.10 0.00 1.01 0.00 0.00 42.92 42.86 1pco s ASP 12 CO 0.03 -1.79 1.66 -0.70 0.21 0.00 0.00 175.17 174.58 1pco s GLU 13 N -5.35 4.18 0.00 8.23 -6.30 -1.26 -3.27 118.70 114.93 1pco s GLU 13 Ca 0.62 2.43 0.00 0.00 -2.50 0.00 0.00 54.97 55.52 1pco s GLU 13 Cb -0.09 -3.37 0.00 0.00 0.00 0.00 0.00 34.13 30.67 1pco s GLU 13 CO 0.46 -0.71 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1pco n GLY 14 N 3.95 2.26 3.89 -1.50 0.00 -0.48 -4.95 105.19 108.37 1pco n GLY 14 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.12 3.26 0.05 1.61 0.41 -1.20 -4.87 118.70 117.83 1pco s GLU 15 Ca 0.00 -0.64 -0.31 0.00 -0.41 0.00 0.00 54.97 53.62 1pco s GLU 15 Cb 0.00 -2.88 -0.05 0.00 -1.78 0.00 0.00 34.13 29.41 1pco s GLU 15 CO 0.00 0.54 1.19 -1.17 -0.49 0.00 0.00 175.26 175.32 1pco s LEU 16 N -2.97 4.36 0.10 1.80 0.20 -1.26 -1.39 118.68 119.52 1pco s LEU 16 Ca 0.33 1.98 0.07 0.00 0.69 0.00 0.00 54.13 57.21 1pco s LEU 16 Cb -0.11 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.04 1pco s LEU 16 CO 0.27 -0.47 -0.18 0.00 -0.29 0.00 0.00 176.35 175.68 1pco n LEU 18 N 0.96 0.33 -5.00 0.00 4.32 -1.26 -4.50 117.00 111.86 1pco n LEU 18 Ca -0.19 0.25 -0.21 0.00 -0.02 0.00 0.00 56.01 55.85 1pco n LEU 18 Cb 0.55 -0.41 0.05 0.00 -1.62 0.00 0.00 43.42 41.99 1pco n LEU 18 CO 0.23 -0.41 0.37 0.54 -1.22 0.00 0.00 177.39 176.91 1pco s ASN 19 N -2.96 5.07 0.42 -1.43 2.20 -1.26 -4.60 114.94 112.37 1pco s ASN 19 Ca 0.00 -0.32 0.25 0.00 -0.94 0.00 0.00 52.86 51.85 1pco s ASN 19 Cb 0.00 -0.41 0.60 0.00 -2.00 0.00 0.00 41.25 39.44 1pco s ASN 19 CO 0.00 -1.30 1.70 0.28 -2.94 0.00 0.00 177.10 174.84 1pco h SER 20 N 0.03 0.00 0.00 3.54 0.02 -1.79 -3.27 113.55 112.08 1pco h SER 20 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1pco h SER 20 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1pco h SER 20 CO 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.15 1pco n ALA 21 N -2.04 2.39 -0.10 3.77 0.00 -1.26 -3.90 120.51 119.36 1pco n ALA 21 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 1pco n ALA 21 Cb 0.47 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.46 0.62 -2.05 0.00 6.02 -1.23 -4.80 117.38 115.48 1pco n GLN 22 Ca 0.00 0.36 -0.36 0.00 -0.01 0.00 0.00 57.00 56.99 1pco n GLN 22 Cb 0.02 -1.63 0.03 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 h LYS 24 N 1.12 -0.46 -6.02 0.00 1.79 -1.15 -3.26 116.57 108.58 1pco h LYS 24 Ca -0.50 0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.43 1pco h LYS 24 Cb 1.29 0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 31.94 1pco h LYS 24 CO 0.56 -0.31 0.87 -1.54 -1.08 0.00 0.00 179.45 177.95 1pco s SER 25 N -4.77 6.16 -1.01 0.86 1.04 -1.26 -4.95 113.70 109.77 1pco s SER 25 Ca -0.15 -0.65 -0.24 0.00 0.48 0.00 0.00 55.95 55.38 1pco s SER 25 Cb 0.05 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.57 1pco s SER 25 CO 0.64 -1.70 2.02 0.20 0.98 0.00 0.00 173.24 175.38 1pco s ASN 26 N 3.72 4.76 -0.47 7.02 0.01 -1.23 -4.75 114.94 124.00 1pco s ASN 26 Ca 0.30 -0.98 0.06 0.00 -0.71 0.00 0.00 52.86 51.53 1pco s ASN 26 Cb -0.11 -2.57 0.20 0.00 0.41 0.00 0.00 41.25 39.17 1pco s ASN 26 CO 0.13 -3.22 0.62 0.00 -1.51 0.00 0.00 177.10 173.12 1pco s GLN 29 N 4.05 4.14 0.89 0.00 -0.44 -0.00 -0.98 119.66 127.31 1pco s GLN 29 Ca 0.43 -0.23 -0.14 0.00 -2.50 0.00 0.00 55.36 52.92 1pco s GLN 29 Cb -0.09 -3.38 0.14 0.00 -1.64 0.00 0.00 33.01 28.03 1pco s GLN 29 CO 0.27 0.31 1.23 -1.58 0.50 0.00 0.00 175.29 176.02 1pco s HIS 30 N 0.32 2.33 -0.06 1.67 5.65 0.08 -1.24 115.29 124.04 1pco s HIS 30 Ca 0.08 0.58 -0.00 0.00 0.25 0.00 0.00 55.06 55.96 1pco s HIS 30 Cb -0.11 -3.74 -0.00 0.00 -1.18 0.00 0.00 32.58 27.55 1pco s HIS 30 CO -0.02 -2.21 -0.00 0.38 -0.65 0.00 0.00 174.74 172.24 1pco h ASP 31 N -1.36 0.00 0.00 9.88 2.03 -1.88 -3.46 116.42 121.63 1pco h ASP 31 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1pco h ASP 31 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 1pco h ASP 31 CO 0.54 0.31 0.00 0.41 -1.03 0.00 0.00 179.24 179.47 1pco n THR 32 N -3.67 0.00 0.00 1.15 -1.04 -1.26 -5.04 114.28 104.42 1pco n THR 32 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1pco n THR 32 Cb 0.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1pco n THR 32 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1pco n ILE 33 N -0.61 0.00 0.00 12.58 5.41 -1.26 -4.92 119.36 130.56 1pco n ILE 33 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1pco n ILE 33 Cb 0.00 0.11 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 1pco n ILE 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1pco n LEU 34 N -1.36 0.00 -3.15 1.39 7.94 -1.26 -5.07 117.00 115.49 1pco n LEU 34 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 1pco n LEU 34 Cb 0.10 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.05 1pco n LEU 34 CO 0.00 0.00 0.14 -0.94 -1.11 0.00 0.00 177.39 175.48 1pco s SER 35 N -1.16 -1.51 -0.42 1.96 1.04 -1.26 -4.97 113.70 107.38 1pco s SER 35 Ca 0.00 0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.76 1pco s SER 35 Cb 0.00 2.01 0.19 0.00 0.10 0.00 0.00 66.02 68.31 1pco s SER 35 CO 0.00 -0.28 0.76 -0.22 0.98 0.00 0.00 173.24 174.48 1pco s LEU 36 N 2.84 -1.22 -0.17 2.42 2.96 -1.26 -5.03 118.68 119.21 1pco s LEU 36 Ca 0.13 -0.92 -0.06 0.00 -0.22 0.00 0.00 54.13 53.06 1pco s LEU 36 Cb -0.10 1.58 -0.04 0.00 0.50 0.00 0.00 46.19 48.13 1pco s LEU 36 CO -0.25 -0.10 0.03 -0.44 -1.32 0.00 0.00 176.35 174.26 1pco s SER 37 N 1.52 5.30 0.04 3.68 0.01 -1.26 -3.07 113.70 119.92 1pco s SER 37 Ca 0.20 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.49 1pco s SER 37 Cb -0.00 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.31 1pco s SER 37 CO -0.08 0.16 -0.11 -0.60 0.41 0.00 0.00 173.24 173.02 1pco s ARG 38 N 0.41 0.74 0.38 12.44 3.52 -0.37 -1.90 118.95 134.18 1pco s ARG 38 Ca 0.00 -0.70 -0.27 0.00 -0.13 0.00 0.00 55.73 54.63 1pco s ARG 38 Cb -0.13 -0.69 -0.09 0.00 -1.56 0.00 0.00 34.95 32.48 1pco s ARG 38 CO 0.01 0.16 1.25 0.00 -0.81 0.00 0.00 175.30 175.92 1pco n ALA 40 N 0.33 0.24 -2.52 0.00 0.00 -0.88 -1.38 120.51 116.31 1pco n ALA 40 Ca 0.03 -0.75 -0.29 0.00 0.00 0.00 0.00 53.44 52.43 1pco n ALA 40 Cb 0.44 0.61 -0.03 0.00 0.00 0.00 0.00 19.45 20.47 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 4.07 0.47 0.00 1.43 -1.26 -4.71 118.68 118.67 1pco s LEU 41 Ca 0.15 0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 53.77 1pco s LEU 41 Cb 0.01 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 1pco s LEU 41 CO 0.11 -0.18 0.99 -1.59 0.23 0.00 0.00 176.35 175.90 1pco s LYS 42 N -3.50 4.00 0.63 1.70 -2.85 -1.26 -4.68 119.74 113.78 1pco s LYS 42 Ca 0.44 1.20 -0.12 0.00 -1.00 0.00 0.00 55.97 56.49 1pco s LYS 42 Cb -0.11 -2.14 -0.03 0.00 -2.06 0.00 0.00 37.83 33.50 1pco s LYS 42 CO 0.29 -0.24 1.04 0.00 0.10 0.00 0.00 175.35 176.54 1pco s ALA 43 N -2.16 2.91 0.39 0.59 0.00 0.08 -4.73 121.76 118.85 1pco s ALA 43 Ca 0.64 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.74 1pco s ALA 43 Cb -0.12 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1pco s ALA 43 CO 0.18 -0.82 0.11 1.03 0.00 0.00 0.00 175.76 176.27 1pco s ARG 44 N -4.85 2.16 0.15 0.00 0.52 -1.26 -1.18 118.95 114.48 1pco s ARG 44 Ca 0.58 -1.85 -0.34 0.00 -0.52 0.00 0.00 55.73 53.59 1pco s ARG 44 Cb -0.12 -1.93 -0.15 0.00 0.52 0.00 0.00 34.95 33.28 1pco s ARG 44 CO 0.49 -0.04 1.51 -1.91 0.02 0.00 0.00 175.30 175.38 1pco n GLU 45 N -1.13 1.90 -1.97 3.54 2.13 -1.26 -2.05 120.64 121.80 1pco n GLU 45 Ca -0.02 0.68 -0.08 0.00 0.66 0.00 0.00 57.16 58.40 1pco n GLU 45 Cb 0.64 -2.42 -0.01 0.00 0.27 0.00 0.00 31.44 29.93 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 3.15 -3.19 -4.29 4.31 3.02 -0.20 -4.98 115.26 113.09 1pco n ASN 46 Ca 0.17 0.04 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 1pco n ASN 46 Cb 0.26 -2.27 -0.12 0.00 -0.61 0.00 0.00 39.78 37.04 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 -2.68 2.54 0.11 6.41 0.01 -0.87 -4.91 113.70 114.31 1pco s SER 47 Ca 0.00 -0.69 -0.31 0.00 1.31 0.00 0.00 55.95 56.27 1pco s SER 47 Cb 0.00 -0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.02 1pco s SER 47 CO 0.00 0.06 1.28 -0.70 0.41 0.00 0.00 173.24 174.29 1pco s GLU 48 N -1.91 4.40 0.13 12.44 2.12 -1.26 -1.37 118.70 133.25 1pco s GLU 48 Ca 0.06 1.92 0.03 0.00 0.36 0.00 0.00 54.97 57.34 1pco s GLU 48 Cb -0.10 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1pco s GLU 48 CO 0.04 -0.30 -0.07 0.00 -0.54 0.00 0.00 175.26 174.40 1pco s SER 50 N -3.11 6.20 -0.06 0.00 0.01 -0.29 -3.16 113.70 113.29 1pco s SER 50 Ca 0.16 -0.23 -0.25 0.00 1.31 0.00 0.00 55.95 56.94 1pco s SER 50 Cb 0.04 -2.56 -0.25 0.00 0.21 0.00 0.00 66.02 63.47 1pco s SER 50 CO -0.01 -1.76 0.98 0.00 0.41 0.00 0.00 173.24 172.85 1pco h ALA 51 N 10.15 0.01 -2.49 1.44 0.00 -1.87 -3.40 119.26 123.11 1pco h ALA 51 Ca -0.27 -0.50 -0.73 0.00 0.00 0.00 0.00 54.91 53.41 1pco h ALA 51 Cb 1.06 0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.62 1pco h ALA 51 CO 1.25 0.11 -0.38 -0.59 0.00 0.00 0.00 179.25 179.63 1pco s PHE 52 N -2.92 3.28 -0.15 0.00 -0.71 -1.26 -4.97 117.98 111.26 1pco s PHE 52 Ca -0.16 -1.19 -0.10 0.00 -1.04 0.00 0.00 56.93 54.44 1pco s PHE 52 Cb 0.00 -3.11 -0.05 0.00 -1.21 0.00 0.00 43.02 38.66 1pco s PHE 52 CO 0.74 -0.83 0.19 0.95 -1.34 0.00 0.00 175.22 174.94 1pco s THR 53 N 1.55 5.39 0.05 -4.49 -4.23 -1.26 -5.10 115.64 107.55 1pco s THR 53 Ca 0.04 0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1pco s THR 53 Cb -0.24 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.11 1pco s THR 53 CO 0.05 0.50 0.07 0.00 -0.54 0.00 0.00 174.62 174.70 1pco n LEU 54 N 2.86 0.00 -3.71 4.79 -0.00 -1.26 -5.02 117.00 114.65 1pco n LEU 54 Ca -0.16 -0.21 -0.41 0.00 -0.00 0.00 0.00 56.01 55.22 1pco n LEU 54 Cb 0.53 -0.04 0.02 0.00 -0.00 0.00 0.00 43.42 43.93 1pco n LEU 54 CO 0.36 -0.52 1.41 -1.22 -0.00 0.00 0.00 177.39 177.42 1pco n TYR 55 N -1.18 2.65 -3.35 1.47 4.01 -1.26 -4.93 117.16 114.56 1pco n TYR 55 Ca 0.01 -2.57 0.00 0.00 -0.16 0.00 0.00 57.90 55.18 1pco n TYR 55 Cb 0.05 -1.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.84 1pco n TYR 55 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pco n GLY 56 N 0.32 1.31 3.80 2.72 0.00 -1.26 -4.51 105.19 107.57 1pco n GLY 56 Ca 0.43 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.53 4.17 -0.05 1.61 1.01 -1.26 -3.79 120.40 119.56 1pco s VAL 57 Ca 0.00 1.53 0.05 0.00 0.00 0.00 0.00 61.98 63.56 1pco s VAL 57 Cb 0.00 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1pco s VAL 57 CO 0.00 -0.12 -0.20 -0.31 0.00 0.00 0.00 175.10 174.47 1pco s TYR 58 N -1.91 2.54 0.29 5.22 2.02 -0.15 -4.92 117.35 120.44 1pco s TYR 58 Ca 0.58 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.94 1pco s TYR 58 Cb -0.15 -1.60 0.45 0.00 -0.40 0.00 0.00 41.96 40.26 1pco s TYR 58 CO 0.19 0.01 1.71 1.88 -1.57 0.00 0.00 175.55 177.77 1pco h TYR 59 N 5.63 0.37 -1.86 2.71 -1.99 -1.91 0.26 116.97 120.17 1pco h TYR 59 Ca -0.41 -0.09 -0.14 0.00 2.00 0.00 0.00 58.73 60.08 1pco h TYR 59 Cb 1.15 -0.08 -0.29 0.00 2.00 0.00 0.00 36.73 39.50 1pco h TYR 59 CO 0.45 0.64 -0.48 -1.59 -0.00 0.00 0.00 178.16 177.19 1pco s LYS 60 N -4.26 0.36 0.84 4.88 0.00 -1.26 -4.71 119.74 115.59 1pco s LYS 60 Ca -0.05 0.53 -0.14 0.00 0.00 0.00 0.00 55.97 56.31 1pco s LYS 60 Cb 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 37.83 37.52 1pco s LYS 60 CO 0.78 -0.65 0.49 0.00 0.00 0.00 0.00 175.35 175.96 1pco n PRO 62 N -1.31 -1.48 -1.34 0.00 -0.02 -1.26 -3.20 135.00 126.39 1pco n PRO 62 Ca 0.08 -0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 60.85 1pco n PRO 62 Cb 0.52 -1.86 0.10 0.00 -0.02 0.00 0.00 33.50 32.24 1pco n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pco s GLU 64 N -4.97 1.05 -0.07 0.00 -1.05 -0.32 -4.70 118.70 108.64 1pco s GLU 64 Ca 0.61 1.38 -0.29 0.00 -0.15 0.00 0.00 54.97 56.52 1pco s GLU 64 Cb -0.16 -1.74 -0.07 0.00 -0.44 0.00 0.00 34.13 31.71 1pco s GLU 64 CO 0.56 -2.55 1.96 0.50 0.95 0.00 0.00 175.26 176.68 1pco s ARG 65 N -4.69 3.85 0.00 -4.83 3.52 -1.26 -1.72 118.95 113.81 1pco s ARG 65 Ca 0.66 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 58.57 1pco s ARG 65 Cb -0.22 -4.18 0.00 0.00 -1.56 0.00 0.00 34.95 28.99 1pco s ARG 65 CO 0.58 -1.28 0.00 0.41 -0.81 0.00 0.00 175.30 174.20 1pco n GLY 66 N 4.83 3.26 3.88 8.12 0.00 -1.26 -5.10 105.19 118.92 1pco n GLY 66 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 4.39 0.10 0.99 2.96 -0.70 -4.82 118.68 121.60 1pco s LEU 67 Ca 0.00 0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1pco s LEU 67 Cb 0.00 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1pco s LEU 67 CO 0.00 0.38 0.26 0.28 -1.32 0.00 0.00 176.35 175.95 1pco s THR 68 N -1.09 5.33 -0.61 3.68 -1.32 -0.11 -4.54 115.64 116.98 1pco s THR 68 Ca 0.18 -0.38 -0.18 0.00 -1.21 0.00 0.00 61.69 60.09 1pco s THR 68 Cb -0.12 -3.66 0.11 0.00 -1.51 0.00 0.00 72.50 67.32 1pco s THR 68 CO 0.07 0.06 0.70 0.00 -2.21 0.00 0.00 174.62 173.24 1pco s GLU 70 N 2.44 3.68 0.03 0.00 -1.05 -0.42 -4.80 118.70 118.59 1pco s GLU 70 Ca 0.12 -0.33 -0.01 0.00 -0.15 0.00 0.00 54.97 54.60 1pco s GLU 70 Cb -0.23 -3.76 -0.03 0.00 -0.44 0.00 0.00 34.13 29.67 1pco s GLU 70 CO 0.04 -0.45 -0.02 0.20 0.95 0.00 0.00 175.26 175.99 1pco s GLY 71 N 1.72 0.31 0.10 -3.83 0.00 -1.26 -0.86 107.32 103.50 1pco s GLY 71 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1pco s GLY 71 CO 0.11 -0.87 0.00 1.22 0.00 0.00 0.00 173.10 173.57 1pco n ASP 72 N 1.06 0.82 -3.87 1.64 9.92 -1.20 -4.94 116.55 119.99 1pco n ASP 72 Ca -0.20 0.15 -0.09 0.00 -0.53 0.00 0.00 54.79 54.11 1pco n ASP 72 Cb 0.57 -0.22 -0.07 0.00 -0.64 0.00 0.00 41.12 40.76 1pco n ASP 72 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pco s LYS 73 N -1.83 0.95 -0.11 -1.24 -0.14 -1.25 -4.80 119.74 111.32 1pco s LYS 73 Ca 0.00 -1.00 -0.17 0.00 -1.36 0.00 0.00 55.97 53.44 1pco s LYS 73 Cb 0.00 0.36 -0.26 0.00 -1.68 0.00 0.00 37.83 36.25 1pco s LYS 73 CO 0.00 -0.32 0.54 0.66 -0.76 0.00 0.00 175.35 175.47 1pco h SER 74 N 2.66 0.32 0.00 2.83 4.64 -1.81 -3.31 113.55 118.88 1pco h SER 74 Ca -0.33 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.16 1pco h SER 74 Cb 1.21 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1pco h SER 74 CO 0.53 1.57 0.00 -0.11 -0.87 0.00 0.00 176.83 177.95 1pco n LEU 75 N -4.01 0.00 0.00 5.97 -0.00 -1.26 -4.91 117.00 112.79 1pco n LEU 75 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 1pco n LEU 75 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.27 1pco n LEU 75 CO 0.39 -0.30 0.00 0.55 -0.00 0.00 0.00 177.39 178.02 1pco n VAL 76 N -1.91 0.00 -2.98 1.96 3.14 -1.26 -5.08 118.33 112.21 1pco n VAL 76 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 1pco n VAL 76 Cb 0.00 -0.22 -0.02 0.00 -1.06 0.00 0.00 33.84 32.53 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 4.03 0.55 3.59 7.55 0.00 -1.26 -4.96 105.19 114.70 1pco n GLY 77 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1pco n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pco s SER 78 N 0.15 -0.72 0.00 1.61 0.01 -1.26 -5.15 113.70 108.33 1pco s SER 78 Ca 0.32 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1pco s SER 78 Cb 0.05 1.39 0.00 0.00 0.21 0.00 0.00 66.02 67.67 1pco s SER 78 CO -0.12 -0.24 0.00 2.30 0.41 0.00 0.00 173.24 175.59 1pco n ILE 79 N 2.83 0.00 -4.25 1.44 -5.35 -1.26 -4.68 119.36 108.09 1pco n ILE 79 Ca -0.14 0.09 0.03 0.00 -0.27 0.00 0.00 62.75 62.46 1pco n ILE 79 Cb 0.56 -0.35 -0.01 0.00 -1.74 0.00 0.00 39.64 38.10 1pco n ILE 79 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1pco n THR 80 N 0.00 0.00 0.29 7.28 -2.24 -1.26 -3.73 114.28 114.61 1pco n THR 80 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1pco n THR 80 Cb 0.00 -0.08 0.70 0.00 -2.10 0.00 0.00 70.33 68.86 1pco n THR 80 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1pco h ASN 81 N -0.21 0.00 -3.63 3.42 -0.00 -2.02 -3.37 115.58 109.77 1pco h ASN 81 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 56.30 55.63 1pco h ASN 81 Cb 0.21 0.00 -0.37 0.00 -0.00 0.00 0.00 38.32 38.15 1pco h ASN 81 CO 0.00 0.00 -0.33 0.28 -0.00 0.00 0.00 177.43 177.39 1pco s THR 82 N -3.62 3.69 -0.37 -3.57 -1.32 -1.25 -4.96 115.64 104.24 1pco s THR 82 Ca -0.00 -3.65 0.00 0.00 -1.21 0.00 0.00 61.69 56.83 1pco s THR 82 Cb 0.09 -3.37 0.13 0.00 -1.51 0.00 0.00 72.50 67.84 1pco s THR 82 CO 0.36 -0.98 0.19 0.21 -2.21 0.00 0.00 174.62 172.18 1pco s ASN 83 N -0.21 3.52 0.33 8.08 2.47 -1.24 -3.88 114.94 124.01 1pco s ASN 83 Ca 0.23 -2.13 0.06 0.00 0.42 0.00 0.00 52.86 51.43 1pco s ASN 83 Cb -0.12 -0.74 -0.01 0.00 -1.45 0.00 0.00 41.25 38.93 1pco s ASN 83 CO -0.10 -0.33 0.47 -0.36 -3.72 0.00 0.00 177.10 173.07 1pco s PHE 84 N 1.03 3.16 0.29 0.43 0.08 -1.25 -4.65 117.98 117.08 1pco s PHE 84 Ca 0.15 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.01 1pco s PHE 84 Cb -0.22 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1pco s PHE 84 CO -0.09 0.01 0.37 0.20 -0.10 0.00 0.00 175.22 175.62 1pco s GLY 85 N -4.15 1.35 -0.01 4.36 0.00 -1.19 -3.22 107.32 104.45 1pco s GLY 85 Ca 0.44 -1.47 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1pco s GLY 85 CO 0.31 -1.06 -0.08 -0.42 0.00 0.00 0.00 173.10 171.86 1pco s ILE 86 N -3.59 3.56 -0.10 0.90 -1.09 -0.03 -0.58 121.20 120.27 1pco s ILE 86 Ca 0.32 -0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 57.69 1pco s ILE 86 Cb 0.02 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 1pco s ILE 86 CO 0.17 0.44 1.45 0.00 -1.23 0.00 0.00 174.94 175.77 1pco s HIS 88 N 3.61 0.48 -0.53 0.00 3.76 0.03 -1.03 115.29 121.61 1pco s HIS 88 Ca 0.64 -0.97 -0.17 0.00 -0.15 0.00 0.00 55.06 54.41 1pco s HIS 88 Cb -0.28 -0.31 0.10 0.00 1.11 0.00 0.00 32.58 33.20 1pco s HIS 88 CO 0.23 -0.46 0.55 1.21 -0.85 0.00 0.00 174.74 175.41 1pco s ASN 89 N -2.93 6.18 -0.59 1.40 2.47 -1.26 -0.94 114.94 119.27 1pco s ASN 89 Ca 0.10 -1.42 0.06 0.00 0.42 0.00 0.00 52.86 52.01 1pco s ASN 89 Cb 0.07 -2.24 0.22 0.00 -1.45 0.00 0.00 41.25 37.85 1pco s ASN 89 CO -0.08 -0.87 0.61 0.52 -3.72 0.00 0.00 177.10 173.56 1pco n VAL 90 N 5.38 1.34 0.02 -5.21 0.31 -1.26 -4.99 118.33 113.92 1pco n VAL 90 Ca -0.11 -4.77 -0.10 0.00 -0.01 0.00 0.00 64.34 59.35 1pco n VAL 90 Cb 0.43 -2.06 0.08 0.00 -0.91 0.00 0.00 33.84 31.38 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 1.40 3.08 2.01 2.92 0.00 -1.26 -4.64 105.19 108.70 1pco n GLY 91 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1pco n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pco n ARG 92 N -0.21 0.00 0.00 1.61 0.00 -1.26 -5.29 116.66 111.50 1pco n ARG 92 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1pco n ARG 92 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.47 1pco n ARG 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08