#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 3.16 -3.37 7.34 -0.04 -1.26 -4.64 135.00 136.20 1pco n PRO 2 Ca 0.00 -3.20 -0.13 0.00 -0.04 0.00 0.00 63.50 60.12 1pco n PRO 2 Cb 0.00 -3.39 0.02 0.00 -0.04 0.00 0.00 33.50 30.09 1pco n PRO 2 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1pco n ASP 3 N 7.46 -6.53 -4.85 3.54 -0.08 -1.26 -5.04 116.55 109.79 1pco n ASP 3 Ca 0.48 -0.53 -0.31 0.00 -1.51 0.00 0.00 54.79 52.92 1pco n ASP 3 Cb 0.44 -4.11 0.02 0.00 2.34 0.00 0.00 41.12 39.81 1pco n ASP 3 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1pco s PRO 4 N -4.18 3.38 -1.42 -0.67 0.04 -1.26 -4.98 135.00 125.91 1pco s PRO 4 Ca 0.15 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 61.91 1pco s PRO 4 Cb -0.04 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.51 1pco s PRO 4 CO 0.80 -0.74 2.17 -2.13 0.04 0.00 0.00 177.00 177.14 1pco n ARG 5 N -2.77 3.06 -2.22 4.56 3.00 -1.26 -4.18 116.66 116.85 1pco n ARG 5 Ca 0.07 -2.80 -0.02 0.00 -0.00 0.00 0.00 57.85 55.09 1pco n ARG 5 Cb 0.54 -3.19 0.03 0.00 0.00 0.00 0.00 32.46 29.84 1pco n ARG 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pco n GLY 6 N 3.77 -0.11 3.16 5.14 0.00 -1.26 -4.89 105.19 111.00 1pco n GLY 6 Ca 0.50 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.52 4.17 0.00 -0.61 0.13 -1.26 -4.64 119.36 116.63 1pco n ILE 7 Ca -0.13 -4.34 0.00 0.00 -1.10 0.00 0.00 62.75 57.18 1pco n ILE 7 Cb 0.65 -2.42 0.00 0.00 -0.84 0.00 0.00 39.64 37.03 1pco n ILE 7 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1pco n ILE 8 N 4.36 0.00 -2.96 9.51 2.08 -1.26 -4.93 119.36 126.16 1pco n ILE 8 Ca 0.41 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.53 1pco n ILE 8 Cb 0.40 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.34 1pco n ILE 8 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1pco s ILE 9 N 0.00 2.38 0.00 1.39 -4.36 -1.26 -4.94 121.20 114.41 1pco s ILE 9 Ca 0.00 -0.94 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 1pco s ILE 9 Cb 0.00 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.27 1pco s ILE 9 CO 0.00 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.77 1pco n ASN 10 N -2.22 -1.53 -4.12 4.36 3.02 0.10 -4.28 115.26 110.60 1pco n ASN 10 Ca 0.13 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.46 1pco n ASN 10 Cb 0.61 -0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 38.86 1pco n ASN 10 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pco s LEU 11 N -0.57 2.02 0.60 3.41 1.43 -0.55 -4.78 118.68 120.23 1pco s LEU 11 Ca 0.00 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 1pco s LEU 11 Cb 0.00 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1pco s LEU 11 CO 0.00 0.18 1.03 -1.81 0.23 0.00 0.00 176.35 175.98 1pco s ASP 12 N -0.33 6.07 -0.24 2.29 1.11 -1.26 -0.55 116.67 123.75 1pco s ASP 12 Ca 0.05 1.61 -0.28 0.00 0.18 0.00 0.00 52.55 54.11 1pco s ASP 12 Cb -0.06 -2.50 0.01 0.00 1.07 0.00 0.00 42.92 41.44 1pco s ASP 12 CO -0.01 -0.97 1.00 -1.61 1.18 0.00 0.00 175.17 174.77 1pco s GLU 13 N -4.52 4.23 0.00 8.23 8.01 -1.26 -3.37 118.70 130.02 1pco s GLU 13 Ca 0.59 1.26 0.00 0.00 0.01 0.00 0.00 54.97 56.83 1pco s GLU 13 Cb -0.13 -3.65 0.00 0.00 -4.31 0.00 0.00 34.13 26.05 1pco s GLU 13 CO 0.43 -0.63 0.00 0.41 0.01 0.00 0.00 175.26 175.47 1pco n GLY 14 N 3.44 1.59 3.96 -1.39 0.00 0.28 -4.94 105.19 108.13 1pco n GLY 14 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1pco n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pco s GLU 15 N 0.00 3.44 0.17 1.61 2.56 -1.22 -4.85 118.70 120.42 1pco s GLU 15 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 54.97 53.98 1pco s GLU 15 Cb 0.00 -2.89 -0.07 0.00 2.00 0.00 0.00 34.13 33.16 1pco s GLU 15 CO 0.00 0.43 1.11 -1.17 -0.56 0.00 0.00 175.26 175.07 1pco s LEU 16 N -3.83 4.48 0.12 2.70 2.96 -1.26 -1.24 118.68 122.60 1pco s LEU 16 Ca 0.35 2.09 0.03 0.00 -0.22 0.00 0.00 54.13 56.37 1pco s LEU 16 Cb -0.09 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1pco s LEU 16 CO 0.29 -0.24 -0.08 0.00 -1.32 0.00 0.00 176.35 175.00 1pco n LEU 18 N -0.07 0.81 -4.95 0.00 4.77 -1.26 -4.22 117.00 112.07 1pco n LEU 18 Ca -0.12 0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.69 1pco n LEU 18 Cb 0.61 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1pco n LEU 18 CO 0.31 -0.14 0.39 0.54 -1.33 0.00 0.00 177.39 177.16 1pco s ASN 19 N -1.75 5.45 0.53 -1.43 2.20 -1.26 -4.65 114.94 114.03 1pco s ASN 19 Ca 0.00 0.25 0.32 0.00 -0.94 0.00 0.00 52.86 52.49 1pco s ASN 19 Cb 0.00 -1.24 1.27 0.00 -2.00 0.00 0.00 41.25 39.28 1pco s ASN 19 CO 0.00 -1.04 1.95 0.28 -2.94 0.00 0.00 177.10 175.35 1pco h SER 20 N 0.06 0.00 0.00 3.54 0.02 -1.78 -3.21 113.55 112.18 1pco h SER 20 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 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 0.56 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 176.29 1pco n ALA 21 N -2.12 2.27 -0.06 3.77 0.00 -1.26 -3.55 120.51 119.57 1pco n ALA 21 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1pco n ALA 21 Cb 0.33 -1.20 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.78 0.67 -1.99 0.00 6.02 -1.21 -4.67 117.38 115.42 1pco n GLN 22 Ca 0.09 0.16 -0.32 0.00 -0.01 0.00 0.00 57.00 56.93 1pco n GLN 22 Cb 0.04 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.65 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 0.08 -0.84 -6.27 0.00 1.79 -1.13 -3.36 116.57 106.84 1pco h LYS 24 Ca -0.45 0.06 -0.59 0.00 -2.18 0.00 0.00 60.65 57.48 1pco h LYS 24 Cb 1.20 0.19 -0.10 0.00 -1.58 0.00 0.00 32.23 31.94 1pco h LYS 24 CO 0.60 -0.53 0.66 -1.12 -1.08 0.00 0.00 179.45 177.98 1pco s SER 25 N -4.48 6.55 -1.08 0.86 0.01 -1.26 -4.96 113.70 109.34 1pco s SER 25 Ca -0.17 0.25 -0.24 0.00 1.31 0.00 0.00 55.95 57.10 1pco s SER 25 Cb 0.03 -2.47 -0.13 0.00 0.21 0.00 0.00 66.02 63.66 1pco s SER 25 CO 0.58 -1.07 2.03 0.21 0.41 0.00 0.00 173.24 175.39 1pco s ASN 26 N 2.26 4.47 -0.46 2.44 2.47 -1.26 -4.76 114.94 120.10 1pco s ASN 26 Ca 0.40 -1.18 0.06 0.00 0.42 0.00 0.00 52.86 52.55 1pco s ASN 26 Cb -0.10 -2.58 0.18 0.00 -1.45 0.00 0.00 41.25 37.30 1pco s ASN 26 CO 0.27 -3.61 0.58 0.00 -3.72 0.00 0.00 177.10 170.62 1pco s GLN 29 N 3.52 4.04 -0.01 0.00 -0.44 0.34 -1.27 119.66 125.83 1pco s GLN 29 Ca 0.36 -0.22 -0.30 0.00 -2.50 0.00 0.00 55.36 52.70 1pco s GLN 29 Cb -0.11 -3.59 -0.03 0.00 -1.64 0.00 0.00 33.01 27.64 1pco s GLN 29 CO 0.22 -0.05 0.99 -1.58 0.50 0.00 0.00 175.29 175.37 1pco s HIS 30 N 1.38 3.64 0.00 1.67 5.65 -0.52 -1.72 115.29 125.39 1pco s HIS 30 Ca 0.09 1.68 -0.02 0.00 0.25 0.00 0.00 55.06 57.06 1pco s HIS 30 Cb -0.15 -3.14 -0.08 0.00 -1.18 0.00 0.00 32.58 28.04 1pco s HIS 30 CO 0.07 -0.07 2.15 -0.40 -0.65 0.00 0.00 174.74 175.84 1pco n ASP 31 N 4.02 4.36 -2.68 9.88 5.75 -1.26 -4.73 116.55 131.90 1pco n ASP 31 Ca 0.06 -2.21 -0.01 0.00 -0.01 0.00 0.00 54.79 52.62 1pco n ASP 31 Cb 0.51 -1.01 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 1pco n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1pco n THR 32 N 1.95-11.45 0.00 2.12 -2.24 -1.26 -4.26 114.28 99.14 1pco n THR 32 Ca 0.13 1.62 0.00 0.00 -2.27 0.00 0.00 64.05 63.52 1pco n THR 32 Cb 0.53 -6.87 0.00 0.00 -2.10 0.00 0.00 70.33 61.90 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 0.50 0.00 -0.32 2.28 2.08 -1.26 -4.76 119.36 117.88 1pco n ILE 33 Ca 0.02 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.49 1pco n ILE 33 Cb 0.08 0.00 0.32 0.00 -0.75 0.00 0.00 39.64 39.28 1pco n ILE 33 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1pco h LEU 34 N 0.00 -0.18 0.00 1.39 -0.00 -1.99 -3.47 115.31 111.06 1pco h LEU 34 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1pco h LEU 34 Cb 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1pco h LEU 34 CO 0.00 -0.28 0.00 -1.54 -0.00 0.00 0.00 178.44 176.62 1pco n SER 35 N -5.35 0.00 -4.55 -0.43 3.41 -1.26 -5.04 113.62 100.39 1pco n SER 35 Ca 0.24 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.48 1pco n SER 35 Cb 0.78 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.69 1pco n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pco s LEU 36 N 0.00 3.27 -0.14 1.04 1.02 -1.26 -4.87 118.68 117.74 1pco s LEU 36 Ca 0.00 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.53 1pco s LEU 36 Cb 0.00 -2.55 -0.05 0.00 0.02 0.00 0.00 46.19 43.61 1pco s LEU 36 CO 0.00 -2.14 0.23 -0.44 0.02 0.00 0.00 176.35 174.02 1pco s SER 37 N 6.30 6.43 0.02 2.29 0.01 -1.26 -4.03 113.70 123.46 1pco s SER 37 Ca 0.55 0.50 0.06 0.00 1.31 0.00 0.00 55.95 58.37 1pco s SER 37 Cb -0.07 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1pco s SER 37 CO 0.07 0.23 -0.14 -0.60 0.41 0.00 0.00 173.24 173.21 1pco s ARG 38 N -0.17 2.26 0.16 12.44 3.52 -0.70 -0.90 118.95 135.57 1pco s ARG 38 Ca 0.15 -0.88 -0.31 0.00 -0.13 0.00 0.00 55.73 54.57 1pco s ARG 38 Cb -0.13 -2.31 -0.08 0.00 -1.56 0.00 0.00 34.95 30.87 1pco s ARG 38 CO 0.04 0.57 1.34 0.00 -0.81 0.00 0.00 175.30 176.44 1pco s ALA 40 N 0.54 1.67 0.50 0.00 0.00 -0.94 -0.56 121.76 122.97 1pco s ALA 40 Ca 0.60 -1.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 1pco s ALA 40 Cb -0.37 1.43 -0.03 0.00 0.00 0.00 0.00 23.12 24.15 1pco s ALA 40 CO 0.35 -0.68 0.81 -0.48 0.00 0.00 0.00 175.76 175.75 1pco s LEU 41 N -3.35 3.58 0.53 0.00 -0.00 -1.26 -4.71 118.68 113.47 1pco s LEU 41 Ca 0.39 0.94 -0.13 0.00 -0.00 0.00 0.00 54.13 55.33 1pco s LEU 41 Cb 0.02 -3.90 -0.06 0.00 -0.00 0.00 0.00 46.19 42.25 1pco s LEU 41 CO 0.26 -0.62 0.95 -1.59 -0.00 0.00 0.00 176.35 175.35 1pco s LYS 42 N -4.78 3.78 0.74 1.48 0.00 -1.26 -4.60 119.74 115.10 1pco s LYS 42 Ca 0.48 0.75 -0.12 0.00 0.00 0.00 0.00 55.97 57.09 1pco s LYS 42 Cb -0.10 -2.18 0.03 0.00 0.00 0.00 0.00 37.83 35.58 1pco s LYS 42 CO 0.45 -0.32 1.12 0.00 0.00 0.00 0.00 175.35 176.61 1pco s ALA 43 N -2.76 2.82 0.31 0.59 0.00 0.06 -4.83 121.76 117.95 1pco s ALA 43 Ca 0.56 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1pco s ALA 43 Cb -0.10 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1pco s ALA 43 CO 0.39 -1.30 0.09 1.03 0.00 0.00 0.00 175.76 175.97 1pco s ARG 44 N -5.43 1.59 0.05 0.00 0.52 -1.26 -1.73 118.95 112.70 1pco s ARG 44 Ca 0.59 -1.89 -0.38 0.00 -0.52 0.00 0.00 55.73 53.53 1pco s ARG 44 Cb -0.11 -0.55 -0.18 0.00 0.52 0.00 0.00 34.95 34.64 1pco s ARG 44 CO 0.51 -0.29 1.28 -1.91 0.02 0.00 0.00 175.30 174.91 1pco n GLU 45 N -0.62 0.84 -1.00 3.54 2.13 -1.26 -1.85 120.64 122.41 1pco n GLU 45 Ca -0.02 0.30 -0.00 0.00 0.66 0.00 0.00 57.16 58.11 1pco n GLU 45 Cb 0.66 -1.91 -0.00 0.00 0.27 0.00 0.00 31.44 30.46 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 2.30 -4.04 -4.77 4.31 3.02 0.26 -4.98 115.26 111.36 1pco n ASN 46 Ca 0.19 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.52 1pco n ASN 46 Cb 0.16 -1.55 -0.05 0.00 -0.61 0.00 0.00 39.78 37.73 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 -2.01 5.23 0.06 6.41 0.15 -0.77 -4.86 113.70 117.91 1pco s SER 47 Ca 0.00 -0.35 -0.31 0.00 0.70 0.00 0.00 55.95 55.99 1pco s SER 47 Cb 0.00 -1.24 -0.06 0.00 -1.71 0.00 0.00 66.02 63.00 1pco s SER 47 CO 0.00 -0.02 1.33 -1.61 1.20 0.00 0.00 173.24 174.14 1pco s GLU 48 N -3.72 4.34 -0.10 5.44 0.41 -1.26 -0.60 118.70 123.21 1pco s GLU 48 Ca 0.32 1.93 0.03 0.00 -0.41 0.00 0.00 54.97 56.84 1pco s GLU 48 Cb -0.08 -3.38 0.01 0.00 -1.78 0.00 0.00 34.13 28.90 1pco s GLU 48 CO 0.23 -0.42 -0.20 0.00 -0.49 0.00 0.00 175.26 174.38 1pco s SER 50 N 0.57 6.28 -1.31 0.00 0.15 0.68 -3.28 113.70 116.79 1pco s SER 50 Ca -0.14 -1.14 -0.18 0.00 0.70 0.00 0.00 55.95 55.19 1pco s SER 50 Cb -0.17 -2.44 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1pco s SER 50 CO 0.05 -1.43 1.91 0.00 1.20 0.00 0.00 173.24 174.96 1pco n ALA 51 N 7.81 3.94 -2.84 5.45 0.00 -1.26 -4.51 120.51 129.10 1pco n ALA 51 Ca 0.05 -3.75 -0.10 0.00 0.00 0.00 0.00 53.44 49.64 1pco n ALA 51 Cb 0.47 -3.58 -0.09 0.00 0.00 0.00 0.00 19.45 16.25 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 4.63 0.13 -0.13 0.00 0.08 -1.26 -5.09 117.98 116.34 1pco s PHE 52 Ca 0.54 -0.37 -0.10 0.00 0.12 0.00 0.00 56.93 57.12 1pco s PHE 52 Cb 0.07 -0.09 0.04 0.00 -0.57 0.00 0.00 43.02 42.47 1pco s PHE 52 CO 0.04 -0.36 0.33 0.95 -0.10 0.00 0.00 175.22 176.08 1pco s THR 53 N -2.33 -0.01 0.00 0.64 -4.23 -1.26 -5.05 115.64 103.41 1pco s THR 53 Ca -0.07 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1pco s THR 53 Cb -0.03 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1pco s THR 53 CO -0.03 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.07 1pco n LEU 54 N 3.45 0.00 0.00 4.79 -0.00 -1.26 -5.02 117.00 118.95 1pco n LEU 54 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1pco n LEU 54 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1pco n LEU 54 CO 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.53 1pco n TYR 55 N -0.99 0.00 0.00 1.47 9.36 -1.26 -5.12 117.16 120.63 1pco n TYR 55 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1pco n TYR 55 Cb 0.00 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 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 0.00 -1.93 3.74 2.98 0.00 -1.26 -4.48 105.19 104.24 1pco n GLY 56 Ca 0.00 0.65 -0.41 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 4.12 -0.08 1.61 1.01 -1.26 -3.78 120.40 122.02 1pco s VAL 57 Ca 0.00 1.91 0.03 0.00 0.00 0.00 0.00 61.98 63.93 1pco s VAL 57 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1pco s VAL 57 CO 0.00 0.37 -0.19 -0.31 0.00 0.00 0.00 175.10 174.97 1pco s TYR 58 N -0.53 2.05 0.16 5.22 2.02 -0.40 -4.93 117.35 120.94 1pco s TYR 58 Ca 0.45 -0.79 -0.13 0.00 -0.37 0.00 0.00 57.07 56.23 1pco s TYR 58 Cb -0.26 -1.41 0.05 0.00 -0.40 0.00 0.00 41.96 39.94 1pco s TYR 58 CO 0.33 -0.34 1.74 1.88 -1.57 0.00 0.00 175.55 177.59 1pco h TYR 59 N 6.77 0.77 -3.00 2.71 -1.99 -1.86 -1.38 116.97 118.99 1pco h TYR 59 Ca -0.25 -0.04 -0.49 0.00 2.00 0.00 0.00 58.73 59.95 1pco h TYR 59 Cb 1.21 -0.24 -0.41 0.00 2.00 0.00 0.00 36.73 39.30 1pco h TYR 59 CO 0.47 0.61 -0.76 0.15 -0.00 0.00 0.00 178.16 178.63 1pco s LYS 60 N -5.68 0.16 0.51 4.88 3.01 -1.26 -4.35 119.74 117.02 1pco s LYS 60 Ca -0.13 -0.26 -0.20 0.00 -1.01 0.00 0.00 55.97 54.36 1pco s LYS 60 Cb 0.12 -1.67 -0.10 0.00 -1.01 0.00 0.00 37.83 35.18 1pco s LYS 60 CO 0.77 -0.78 0.66 0.00 0.51 0.00 0.00 175.35 176.52 1pco s PRO 62 N -2.01 -1.69 0.76 0.00 0.04 -1.26 -3.32 135.00 127.51 1pco s PRO 62 Ca 0.67 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 1pco s PRO 62 Cb -0.50 -1.48 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1pco s PRO 62 CO 0.55 -4.18 1.08 0.00 0.04 0.00 0.00 177.00 174.49 1pco s GLU 64 N -5.02 1.77 -0.26 0.00 -1.05 -0.70 -4.77 118.70 108.66 1pco s GLU 64 Ca 0.60 1.63 -0.28 0.00 -0.15 0.00 0.00 54.97 56.77 1pco s GLU 64 Cb -0.15 -1.80 -0.04 0.00 -0.44 0.00 0.00 34.13 31.69 1pco s GLU 64 CO 0.55 -2.09 2.15 0.50 0.95 0.00 0.00 175.26 177.32 1pco s ARG 65 N -4.27 3.11 0.00 -4.83 6.06 -1.26 -1.61 118.95 116.15 1pco s ARG 65 Ca 0.70 1.87 0.00 0.00 -2.50 0.00 0.00 55.73 55.80 1pco s ARG 65 Cb -0.26 -4.35 0.00 0.00 0.06 0.00 0.00 34.95 30.40 1pco s ARG 65 CO 0.51 -2.13 0.00 0.41 -2.50 0.00 0.00 175.30 171.59 1pco n GLY 66 N 5.71 2.32 3.82 8.12 0.00 -1.26 -5.10 105.19 118.80 1pco n GLY 66 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 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 4.35 0.26 0.99 0.20 -0.64 -4.78 118.68 119.06 1pco s LEU 67 Ca 0.00 0.52 0.03 0.00 0.69 0.00 0.00 54.13 55.36 1pco s LEU 67 Cb 0.00 -2.21 -0.03 0.00 -0.43 0.00 0.00 46.19 43.52 1pco s LEU 67 CO 0.00 0.31 0.42 0.28 -0.29 0.00 0.00 176.35 177.06 1pco s THR 68 N -0.56 5.21 -0.13 3.68 -1.32 -0.17 -4.37 115.64 117.98 1pco s THR 68 Ca 0.15 -0.73 -0.14 0.00 -1.21 0.00 0.00 61.69 59.76 1pco s THR 68 Cb -0.13 -3.84 -0.05 0.00 -1.51 0.00 0.00 72.50 66.98 1pco s THR 68 CO 0.04 -0.37 0.32 0.00 -2.21 0.00 0.00 174.62 172.41 1pco n GLU 70 N 3.18 2.64 -3.60 0.00 -0.00 -0.58 -4.95 120.64 117.32 1pco n GLU 70 Ca -0.12 0.00 -0.28 0.00 -0.00 0.00 0.00 57.16 56.76 1pco n GLU 70 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.85 1pco n GLU 70 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1pco s GLY 71 N -0.89 1.70 -0.76 -1.84 0.00 -1.26 -4.01 107.32 100.26 1pco s GLY 71 Ca 0.00 -2.76 -0.22 0.00 0.00 0.00 0.00 44.72 41.74 1pco s GLY 71 CO 0.00 1.72 1.07 0.99 0.00 0.00 0.00 173.10 176.88 1pco s ASP 72 N -0.13 6.32 0.14 1.64 1.01 -1.26 -4.88 116.67 119.50 1pco s ASP 72 Ca 0.26 -1.26 -0.30 0.00 0.71 0.00 0.00 52.55 51.95 1pco s ASP 72 Cb -0.08 -2.44 -0.08 0.00 1.01 0.00 0.00 42.92 41.34 1pco s ASP 72 CO -0.12 -1.38 1.28 -1.59 0.21 0.00 0.00 175.17 173.56 1pco s LYS 73 N 3.92 4.41 -0.05 8.23 -2.85 -1.26 -3.46 119.74 128.67 1pco s LYS 73 Ca 0.28 1.95 -0.25 0.00 -1.00 0.00 0.00 55.97 56.94 1pco s LYS 73 Cb -0.12 -3.26 -0.20 0.00 -2.06 0.00 0.00 37.83 32.20 1pco s LYS 73 CO 0.04 -0.26 1.07 1.03 0.10 0.00 0.00 175.35 177.33 1pco h SER 74 N 6.08 -0.07 0.00 0.03 0.87 -1.93 -3.48 113.55 115.05 1pco h SER 74 Ca -0.43 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 1pco h SER 74 Cb 1.21 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1pco h SER 74 CO 0.80 0.51 0.00 -0.11 -0.53 0.00 0.00 176.83 177.50 1pco n LEU 75 N -4.85 0.00 -0.02 2.23 0.00 -1.26 -4.26 117.00 108.84 1pco n LEU 75 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 56.01 55.76 1pco n LEU 75 Cb 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.58 1pco n LEU 75 CO 0.31 0.00 0.27 1.62 0.00 0.00 0.00 177.39 179.59 1pco h VAL 76 N 0.00 1.64 -1.43 1.96 3.04 -1.98 -3.51 116.25 115.98 1pco h VAL 76 Ca 0.00 -2.32 0.00 0.00 -1.01 0.00 0.00 66.70 63.37 1pco h VAL 76 Cb 0.00 3.19 0.00 0.00 -2.01 0.00 0.00 31.29 32.47 1pco h VAL 76 CO 0.00 0.63 0.00 0.61 -1.01 0.00 0.00 177.57 177.80 1pco n GLY 77 N 1.50 -1.36 3.57 3.17 0.00 -1.26 -4.96 105.19 105.85 1pco n GLY 77 Ca -0.11 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1pco n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pco s SER 78 N 0.00 6.33 0.00 1.61 1.04 -1.26 -4.62 113.70 116.80 1pco s SER 78 Ca 0.00 -1.87 0.00 0.00 0.48 0.00 0.00 55.95 54.56 1pco s SER 78 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1pco s SER 78 CO 0.00 -1.68 0.00 2.30 0.98 0.00 0.00 173.24 174.84 1pco n ILE 79 N 6.88 0.00 -4.64 -1.02 -0.00 -1.26 -4.78 119.36 114.54 1pco n ILE 79 Ca 0.43 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.89 1pco n ILE 79 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 40.02 1pco n ILE 79 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1pco s THR 80 N 0.00 1.58 -1.34 7.28 2.01 -1.26 -5.07 115.64 118.84 1pco s THR 80 Ca 0.00 -2.00 -0.17 0.00 0.31 0.00 0.00 61.69 59.83 1pco s THR 80 Cb 0.00 -2.69 0.04 0.00 0.01 0.00 0.00 72.50 69.86 1pco s THR 80 CO 0.00 0.00 1.99 -3.20 -0.69 0.00 0.00 174.62 172.72 1pco n ASN 81 N -1.05 4.21 -3.83 3.53 2.85 -1.26 -4.55 115.26 115.17 1pco n ASN 81 Ca -0.09 -2.86 -0.35 0.00 -0.11 0.00 0.00 54.58 51.17 1pco n ASN 81 Cb 0.67 -1.67 -0.04 0.00 1.24 0.00 0.00 39.78 39.97 1pco n ASN 81 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1pco n THR 82 N 5.83 3.64 -3.42 -0.44 -2.24 -1.26 -4.85 114.28 111.54 1pco n THR 82 Ca 0.50 -5.46 0.01 0.00 -2.27 0.00 0.00 64.05 56.84 1pco n THR 82 Cb 0.42 -2.17 -0.03 0.00 -2.10 0.00 0.00 70.33 66.45 1pco n THR 82 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pco s ASN 83 N -1.55 -1.13 0.21 3.42 2.47 -1.26 -4.98 114.94 112.11 1pco s ASN 83 Ca 0.33 1.17 0.04 0.00 0.42 0.00 0.00 52.86 54.83 1pco s ASN 83 Cb 0.05 2.14 -0.05 0.00 -1.45 0.00 0.00 41.25 41.94 1pco s ASN 83 CO -0.00 -0.21 -0.04 -0.36 -3.72 0.00 0.00 177.10 172.77 1pco s PHE 84 N 2.84 1.50 0.90 0.43 0.08 -1.22 -3.78 117.98 118.72 1pco s PHE 84 Ca 0.04 -0.86 -0.11 0.00 0.12 0.00 0.00 56.93 56.12 1pco s PHE 84 Cb -0.12 -0.84 0.13 0.00 -0.57 0.00 0.00 43.02 41.62 1pco s PHE 84 CO -0.19 0.01 1.10 0.20 -0.10 0.00 0.00 175.22 176.25 1pco s GLY 85 N -3.27 1.65 0.06 4.36 0.00 -1.21 -4.28 107.32 104.63 1pco s GLY 85 Ca 0.25 0.27 -0.03 0.00 0.00 0.00 0.00 44.72 45.21 1pco s GLY 85 CO 0.07 0.71 0.26 -0.42 0.00 0.00 0.00 173.10 173.72 1pco s ILE 86 N -2.77 5.33 -0.02 0.90 -1.09 -1.26 -1.17 121.20 121.12 1pco s ILE 86 Ca 0.64 -0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.62 1pco s ILE 86 Cb -0.20 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1pco s ILE 86 CO 0.58 0.19 1.32 0.00 -1.23 0.00 0.00 174.94 175.80 1pco s HIS 88 N 2.29 0.30 -0.25 0.00 3.76 0.36 -0.58 115.29 121.17 1pco s HIS 88 Ca 0.60 -0.61 -0.14 0.00 -0.15 0.00 0.00 55.06 54.77 1pco s HIS 88 Cb -0.29 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.14 1pco s HIS 88 CO 0.25 -0.24 0.30 1.21 -0.85 0.00 0.00 174.74 175.41 1pco s ASN 89 N -1.79 6.24 0.03 1.40 2.47 -1.26 -1.00 114.94 121.03 1pco s ASN 89 Ca -0.11 0.27 -0.02 0.00 0.42 0.00 0.00 52.86 53.42 1pco s ASN 89 Cb -0.06 -2.18 -0.27 0.00 -1.45 0.00 0.00 41.25 37.29 1pco s ASN 89 CO -0.03 -0.08 0.97 0.58 -3.72 0.00 0.00 177.10 174.82 1pco h VAL 90 N 5.20 1.29 0.00 -5.21 2.07 -1.96 -3.49 116.25 114.15 1pco h VAL 90 Ca -0.35 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.25 1pco h VAL 90 Cb 1.17 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1pco h VAL 90 CO 0.65 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.69 1pco n GLY 91 N 1.59 -1.87 1.09 2.17 0.00 -1.26 -5.11 105.19 101.80 1pco n GLY 91 Ca -0.13 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.60 0.00 0.00 1.61 3.00 -1.26 -5.21 116.66 114.20 1pco n ARG 92 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 1pco n ARG 92 Cb 0.00 0.00 0.83 0.00 0.00 0.00 0.00 32.46 33.29 1pco n ARG 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06