#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 0.00 -5.76 5.55 0.11 -2.00 -3.45 132.00 126.45 1pco h PRO 2 Ca 0.00 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.44 1pco h PRO 2 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 1pco h PRO 2 CO 0.00 0.00 -0.58 0.34 -0.21 0.00 0.00 178.00 177.55 1pco s ASP 3 N -4.73 5.59 -1.37 -2.05 2.15 -1.26 -5.05 116.67 109.95 1pco s ASP 3 Ca 0.02 0.21 -0.14 0.00 0.43 0.00 0.00 52.55 53.06 1pco s ASP 3 Cb 0.09 -1.71 -0.01 0.00 -0.30 0.00 0.00 42.92 40.99 1pco s ASP 3 CO 0.41 0.35 2.27 -0.81 -0.17 0.00 0.00 175.17 177.22 1pco n PRO 4 N 2.35 2.73 -3.30 4.34 -0.04 -1.26 -4.86 135.00 134.95 1pco n PRO 4 Ca -0.19 -2.42 -0.46 0.00 -0.04 0.00 0.00 63.50 60.40 1pco n PRO 4 Cb 0.54 -3.16 -0.01 0.00 -0.04 0.00 0.00 33.50 30.83 1pco n PRO 4 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1pco s ARG 5 N 3.35 3.98 0.00 0.54 6.06 -1.26 -4.70 118.95 126.92 1pco s ARG 5 Ca 0.51 -2.89 0.00 0.00 -2.50 0.00 0.00 55.73 50.84 1pco s ARG 5 Cb 0.14 -4.55 0.00 0.00 0.06 0.00 0.00 34.95 30.60 1pco s ARG 5 CO -0.06 -1.30 0.00 0.41 -2.50 0.00 0.00 175.30 171.85 1pco n GLY 6 N 3.28 2.28 3.56 8.12 0.00 -1.26 -4.94 105.19 116.22 1pco n GLY 6 Ca 0.21 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1pco n GLY 6 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pco s ILE 7 N 0.00 3.35 -0.65 -0.61 2.07 -1.26 -4.95 121.20 119.15 1pco s ILE 7 Ca 0.00 -0.15 -0.26 0.00 -1.41 0.00 0.00 60.65 58.82 1pco s ILE 7 Cb 0.00 -3.83 -0.02 0.00 0.13 0.00 0.00 42.46 38.74 1pco s ILE 7 CO 0.00 -0.79 1.84 -0.63 -1.91 0.00 0.00 174.94 173.45 1pco s ILE 8 N 10.42 3.38 0.34 2.00 1.01 -1.26 -4.44 121.20 132.65 1pco s ILE 8 Ca 0.73 0.15 0.01 0.00 0.00 0.00 0.00 60.65 61.54 1pco s ILE 8 Cb -0.10 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1pco s ILE 8 CO 0.08 -0.96 0.08 2.30 0.00 0.00 0.00 174.94 176.43 1pco n ILE 9 N 7.24 0.00 0.00 2.92 -5.35 -1.26 -5.08 119.36 117.83 1pco n ILE 9 Ca 0.22 -1.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.16 1pco n ILE 9 Cb 0.51 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 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 -1.41 0.00 -4.07 7.28 3.02 -0.26 -4.95 115.26 114.87 1pco n ASN 10 Ca -0.10 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.38 1pco n ASN 10 Cb 0.42 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.49 1pco n ASN 10 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1pco s LEU 11 N 0.00 2.44 0.67 3.41 0.05 -1.11 -4.74 118.68 119.40 1pco s LEU 11 Ca 0.00 -0.91 -0.11 0.00 0.05 0.00 0.00 54.13 53.16 1pco s LEU 11 Cb 0.00 0.18 -0.01 0.00 -2.05 0.00 0.00 46.19 44.31 1pco s LEU 11 CO 0.00 -0.54 1.06 -1.81 -0.55 0.00 0.00 176.35 174.51 1pco s ASP 12 N -2.65 5.81 -0.06 1.48 1.01 -1.26 -0.90 116.67 120.09 1pco s ASP 12 Ca 0.03 1.30 -0.30 0.00 0.71 0.00 0.00 52.55 54.29 1pco s ASP 12 Cb 0.05 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1pco s ASP 12 CO -0.08 -1.13 1.08 -1.61 0.21 0.00 0.00 175.17 173.63 1pco s GLU 13 N -5.25 4.43 0.00 8.23 8.01 -1.26 -3.90 118.70 128.95 1pco s GLU 13 Ca 0.57 1.51 0.00 0.00 0.01 0.00 0.00 54.97 57.06 1pco s GLU 13 Cb -0.11 -3.52 0.00 0.00 -4.31 0.00 0.00 34.13 26.19 1pco s GLU 13 CO 0.53 -0.30 0.00 0.41 0.01 0.00 0.00 175.26 175.91 1pco n GLY 14 N 3.15 1.71 3.08 -1.39 0.00 0.42 -4.93 105.19 107.23 1pco n GLY 14 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.02 0.58 0.44 1.61 0.41 -1.25 -4.95 118.70 115.51 1pco s GLU 15 Ca 0.00 -0.79 -0.23 0.00 -0.41 0.00 0.00 54.97 53.54 1pco s GLU 15 Cb 0.00 -0.38 -0.08 0.00 -1.78 0.00 0.00 34.13 31.88 1pco s GLU 15 CO 0.00 0.07 1.08 -0.51 -0.49 0.00 0.00 175.26 175.41 1pco s LEU 16 N -1.60 4.02 0.00 1.80 1.02 -1.26 -1.84 118.68 120.81 1pco s LEU 16 Ca -0.09 2.09 0.03 0.00 0.02 0.00 0.00 54.13 56.18 1pco s LEU 16 Cb -0.10 -4.31 -0.01 0.00 0.02 0.00 0.00 46.19 41.79 1pco s LEU 16 CO 0.01 -0.70 0.12 0.00 0.02 0.00 0.00 176.35 175.79 1pco n LEU 18 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.79 117.00 115.72 1pco n LEU 18 Ca 0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 1pco n LEU 18 Cb 0.32 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1pco n LEU 18 CO 0.17 -0.15 0.41 -0.46 -1.33 0.00 0.00 177.39 176.02 1pco n ASN 19 N -1.64 1.50 0.12 -1.43 0.23 -1.26 -4.56 115.26 108.21 1pco n ASN 19 Ca 0.00 -2.16 0.12 0.00 -0.53 0.00 0.00 54.58 52.01 1pco n ASN 19 Cb 0.00 -0.47 0.16 0.00 -2.08 0.00 0.00 39.78 37.39 1pco n ASN 19 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1pco h SER 20 N -0.23 0.00 0.00 0.53 0.87 -1.60 -3.37 113.55 109.75 1pco h SER 20 Ca -0.26 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1pco h SER 20 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1pco h SER 20 CO 0.32 0.03 0.00 0.00 -0.53 0.00 0.00 176.83 176.66 1pco n ALA 21 N -1.99 2.31 -0.08 6.23 0.00 -1.26 -3.52 120.51 122.21 1pco n ALA 21 Ca 0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1pco n ALA 21 Cb 0.49 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.51 0.67 -1.08 0.00 6.02 -1.26 -4.75 117.38 116.47 1pco n GLN 22 Ca 0.00 0.10 -0.29 0.00 -0.01 0.00 0.00 57.00 56.81 1pco n GLN 22 Cb 0.00 -1.60 0.20 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.08 -0.44 -6.22 0.00 1.57 -1.31 -3.37 116.57 104.71 1pco h LYS 24 Ca -0.55 0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 57.67 1pco h LYS 24 Cb 1.33 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.65 1pco h LYS 24 CO 0.56 -0.30 0.72 -1.54 -0.57 0.00 0.00 179.45 178.32 1pco s SER 25 N -3.32 6.44 -1.10 0.86 1.04 -1.26 -4.95 113.70 111.41 1pco s SER 25 Ca -0.07 -0.02 -0.24 0.00 0.48 0.00 0.00 55.95 56.10 1pco s SER 25 Cb 0.01 -2.48 -0.15 0.00 0.10 0.00 0.00 66.02 63.49 1pco s SER 25 CO 0.20 -1.25 1.99 0.59 0.98 0.00 0.00 173.24 175.75 1pco n ASN 26 N 7.68 2.39 -3.42 7.02 5.03 -1.26 -4.77 115.26 127.94 1pco n ASN 26 Ca 0.06 -2.62 -0.24 0.00 0.87 0.00 0.00 54.58 52.65 1pco n ASN 26 Cb 0.48 -1.68 -0.10 0.00 -1.02 0.00 0.00 39.78 37.46 1pco n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pco s GLN 29 N 3.15 4.09 0.22 0.00 -0.44 -0.14 -1.45 119.66 125.08 1pco s GLN 29 Ca 0.33 -0.03 -0.25 0.00 -2.50 0.00 0.00 55.36 52.91 1pco s GLN 29 Cb -0.13 -3.57 -0.09 0.00 -1.64 0.00 0.00 33.01 27.58 1pco s GLN 29 CO 0.17 -0.07 0.82 -1.58 0.50 0.00 0.00 175.29 175.13 1pco s HIS 30 N 1.42 3.82 -1.27 1.67 5.65 0.32 -1.85 115.29 125.04 1pco s HIS 30 Ca 0.13 1.64 0.00 0.00 0.25 0.00 0.00 55.06 57.09 1pco s HIS 30 Cb -0.15 -2.79 0.00 0.00 -1.18 0.00 0.00 32.58 28.46 1pco s HIS 30 CO 0.07 0.41 0.27 -0.40 -0.65 0.00 0.00 174.74 174.45 1pco n ASP 31 N 1.19 0.31 -2.68 9.88 5.75 -1.24 -4.82 116.55 124.93 1pco n ASP 31 Ca -0.03 -0.85 -0.04 0.00 -0.01 0.00 0.00 54.79 53.86 1pco n ASP 31 Cb 0.49 -0.15 0.02 0.00 -1.03 0.00 0.00 41.12 40.45 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 0.07 -7.37 -0.11 2.12 -2.24 -1.26 -4.92 114.28 100.58 1pco n THR 32 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1pco n THR 32 Cb 0.08 -5.82 -0.00 0.00 -2.10 0.00 0.00 70.33 62.49 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 -2.04 -0.18 -2.48 2.28 5.41 -1.26 -5.05 119.36 116.04 1pco n ILE 33 Ca -0.02 0.10 -0.03 0.00 1.00 0.00 0.00 62.75 63.80 1pco n ILE 33 Cb 0.53 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 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 -1.68 -5.68 -4.51 1.39 7.94 -1.26 -4.83 117.00 108.37 1pco n LEU 34 Ca -0.00 0.18 -0.40 0.00 -1.11 0.00 0.00 56.01 54.68 1pco n LEU 34 Cb 0.04 -2.60 -0.10 0.00 0.53 0.00 0.00 43.42 41.28 1pco n LEU 34 CO 0.00 -1.22 2.13 -1.54 -1.11 0.00 0.00 177.39 175.65 1pco n SER 35 N -0.90 1.15 -3.60 1.96 3.41 -1.26 -4.87 113.62 109.51 1pco n SER 35 Ca 0.04 -0.07 -0.28 0.00 -0.26 0.00 0.00 58.87 58.30 1pco n SER 35 Cb 0.40 -1.19 -0.11 0.00 -0.26 0.00 0.00 64.21 63.04 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 10.15 2.57 -0.18 1.04 2.96 -1.26 -5.08 118.68 128.88 1pco s LEU 36 Ca 1.20 -3.13 -0.10 0.00 -0.22 0.00 0.00 54.13 51.88 1pco s LEU 36 Cb -0.83 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1pco s LEU 36 CO 0.40 -0.18 0.14 -0.44 -1.32 0.00 0.00 176.35 174.96 1pco s SER 37 N -0.23 6.25 -0.02 3.68 0.01 -1.26 -3.71 113.70 118.42 1pco s SER 37 Ca 0.27 0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.82 1pco s SER 37 Cb -0.06 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.09 1pco s SER 37 CO -0.13 0.22 -0.05 -0.60 0.41 0.00 0.00 173.24 173.08 1pco s ARG 38 N 0.12 0.55 0.30 12.44 3.52 -0.77 -2.23 118.95 132.87 1pco s ARG 38 Ca 0.10 -0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.25 1pco s ARG 38 Cb -0.11 -0.56 -0.11 0.00 -1.56 0.00 0.00 34.95 32.61 1pco s ARG 38 CO -0.01 0.04 1.48 0.00 -0.81 0.00 0.00 175.30 176.00 1pco s ALA 40 N -0.36 1.66 0.77 0.00 0.00 -1.09 -0.43 121.76 122.30 1pco s ALA 40 Ca 0.58 -1.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 1pco s ALA 40 Cb -0.44 1.41 0.05 0.00 0.00 0.00 0.00 23.12 24.14 1pco s ALA 40 CO 0.50 -0.70 1.10 -0.48 0.00 0.00 0.00 175.76 176.17 1pco s LEU 41 N -3.36 2.71 0.80 0.00 2.34 -1.26 -4.82 118.68 115.09 1pco s LEU 41 Ca 0.39 1.27 -0.11 0.00 0.06 0.00 0.00 54.13 55.74 1pco s LEU 41 Cb 0.01 -3.95 0.07 0.00 -0.56 0.00 0.00 46.19 41.76 1pco s LEU 41 CO 0.27 -1.76 1.09 -1.59 -1.06 0.00 0.00 176.35 173.30 1pco s LYS 42 N -5.21 2.08 0.28 1.48 0.00 -1.26 -4.70 119.74 112.40 1pco s LYS 42 Ca 0.60 0.83 -0.26 0.00 0.00 0.00 0.00 55.97 57.13 1pco s LYS 42 Cb -0.13 -1.90 -0.09 0.00 0.00 0.00 0.00 37.83 35.70 1pco s LYS 42 CO 0.54 -1.67 0.90 0.00 0.00 0.00 0.00 175.35 175.12 1pco s ALA 43 N -3.04 3.29 0.38 0.59 0.00 -0.21 -4.94 121.76 117.82 1pco s ALA 43 Ca 0.61 0.49 0.03 0.00 0.00 0.00 0.00 51.96 53.10 1pco s ALA 43 Cb -0.16 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1pco s ALA 43 CO 0.55 0.21 0.56 1.03 0.00 0.00 0.00 175.76 178.11 1pco s ARG 44 N -1.73 3.14 -0.02 0.00 0.52 -1.26 -4.51 118.95 115.09 1pco s ARG 44 Ca 0.46 -0.72 -0.35 0.00 -0.52 0.00 0.00 55.73 54.60 1pco s ARG 44 Cb -0.21 -2.70 -0.13 0.00 0.52 0.00 0.00 34.95 32.43 1pco s ARG 44 CO 0.26 -0.05 1.73 -1.91 0.02 0.00 0.00 175.30 175.35 1pco n GLU 45 N -1.83 2.00 -0.77 3.54 2.13 -1.26 -1.56 120.64 122.89 1pco n GLU 45 Ca -0.00 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.54 1pco n GLU 45 Cb 0.58 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.77 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 5.20 -2.31 -4.40 4.31 3.02 -0.35 -5.01 115.26 115.73 1pco n ASN 46 Ca 0.21 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.47 1pco n ASN 46 Cb 0.27 -0.39 -0.13 0.00 -0.61 0.00 0.00 39.78 38.93 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 -2.68 3.35 0.36 6.41 0.15 -0.60 -4.89 113.70 115.79 1pco s SER 47 Ca 0.00 -0.77 -0.28 0.00 0.70 0.00 0.00 55.95 55.60 1pco s SER 47 Cb 0.00 -0.23 -0.10 0.00 -1.71 0.00 0.00 66.02 63.98 1pco s SER 47 CO 0.00 0.17 1.29 -1.61 1.20 0.00 0.00 173.24 174.28 1pco s GLU 48 N -2.18 4.22 -0.02 5.44 2.02 -1.26 -0.86 118.70 126.07 1pco s GLU 48 Ca 0.15 2.15 0.04 0.00 0.02 0.00 0.00 54.97 57.33 1pco s GLU 48 Cb -0.10 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 1pco s GLU 48 CO 0.07 -0.27 -0.14 0.00 0.02 0.00 0.00 175.26 174.94 1pco s SER 50 N -0.23 6.80 0.21 0.00 0.15 -0.38 -2.57 113.70 117.68 1pco s SER 50 Ca 0.03 -2.37 0.03 0.00 0.70 0.00 0.00 55.95 54.35 1pco s SER 50 Cb -0.06 -2.43 0.14 0.00 -1.71 0.00 0.00 66.02 61.96 1pco s SER 50 CO -0.00 -1.00 1.48 0.00 1.20 0.00 0.00 173.24 174.92 1pco h ALA 51 N 8.21 0.71 -2.21 5.45 0.00 -1.91 -3.39 119.26 126.11 1pco h ALA 51 Ca 0.24 -0.61 -0.47 0.00 0.00 0.00 0.00 54.91 54.07 1pco h ALA 51 Cb 0.95 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.69 1pco h ALA 51 CO 1.22 0.79 0.37 -0.59 0.00 0.00 0.00 179.25 181.05 1pco s PHE 52 N -3.56 3.34 -0.17 0.00 -0.71 -1.26 -5.09 117.98 110.53 1pco s PHE 52 Ca -0.04 1.49 -0.02 0.00 -1.04 0.00 0.00 56.93 57.32 1pco s PHE 52 Cb 0.11 -2.85 -0.01 0.00 -1.21 0.00 0.00 43.02 39.06 1pco s PHE 52 CO 0.81 -0.49 -0.08 0.95 -1.34 0.00 0.00 175.22 175.07 1pco s THR 53 N -2.53 3.31 0.00 -4.49 -4.23 -1.26 -5.11 115.64 101.33 1pco s THR 53 Ca 0.60 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1pco s THR 53 Cb -0.11 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1pco s THR 53 CO 0.30 0.48 0.00 0.00 -0.54 0.00 0.00 174.62 174.86 1pco n LEU 54 N 4.10 0.00 -3.39 4.79 -0.00 -1.26 -5.03 117.00 116.20 1pco n LEU 54 Ca -0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.50 1pco n LEU 54 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.91 1pco n LEU 54 CO 0.30 0.00 0.57 -1.22 -0.00 0.00 0.00 177.39 177.04 1pco n TYR 55 N 0.00 3.38 -3.06 1.47 4.01 -1.26 -4.85 117.16 116.86 1pco n TYR 55 Ca 0.00 -3.50 0.00 0.00 -0.16 0.00 0.00 57.90 54.24 1pco n TYR 55 Cb 0.00 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.25 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 0.35 -0.96 3.92 2.72 0.00 -1.26 -4.90 105.19 105.05 1pco n GLY 56 Ca 0.33 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.00 5.05 -0.07 1.61 1.01 -1.26 -1.62 120.40 122.11 1pco s VAL 57 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1pco s VAL 57 Cb 0.00 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1pco s VAL 57 CO 0.00 -0.40 0.01 -0.31 0.00 0.00 0.00 175.10 174.41 1pco s TYR 58 N -2.16 3.19 -0.03 5.22 2.02 -0.53 -4.94 117.35 120.12 1pco s TYR 58 Ca 0.43 0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 57.16 1pco s TYR 58 Cb -0.10 -1.78 -0.10 0.00 -0.40 0.00 0.00 41.96 39.57 1pco s TYR 58 CO 0.32 0.49 0.70 1.88 -1.57 0.00 0.00 175.55 177.38 1pco h TYR 59 N 5.01 -0.49 -3.12 2.71 -1.99 -1.88 0.92 116.97 118.13 1pco h TYR 59 Ca -0.51 -0.01 -0.63 0.00 2.00 0.00 0.00 58.73 59.58 1pco h TYR 59 Cb 1.19 0.16 -0.36 0.00 2.00 0.00 0.00 36.73 39.73 1pco h TYR 59 CO 0.64 -0.26 -0.84 0.15 -0.00 0.00 0.00 178.16 177.85 1pco s LYS 60 N -3.46 2.51 0.70 4.88 3.01 -1.26 -4.35 119.74 121.77 1pco s LYS 60 Ca -0.09 -0.67 -0.17 0.00 -1.01 0.00 0.00 55.97 54.03 1pco s LYS 60 Cb 0.01 -2.28 -0.06 0.00 -1.01 0.00 0.00 37.83 34.49 1pco s LYS 60 CO 0.29 -0.24 0.41 0.00 0.51 0.00 0.00 175.35 176.31 1pco n PRO 62 N -0.31 -2.38 -3.17 0.00 -0.02 -1.26 -3.65 135.00 124.20 1pco n PRO 62 Ca 0.09 -0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 60.47 1pco n PRO 62 Cb 0.50 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 1pco n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pco h GLU 64 N 8.93 0.00 -5.70 0.00 4.11 -1.84 -3.39 114.58 116.69 1pco h GLU 64 Ca -0.27 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.49 1pco h GLU 64 Cb 1.10 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1pco h GLU 64 CO 0.92 0.00 1.90 0.50 0.07 0.00 0.00 179.01 182.41 1pco s ARG 65 N -1.56 3.92 -0.73 1.06 3.00 -1.26 -4.36 118.95 119.03 1pco s ARG 65 Ca -0.04 -1.93 -0.01 0.00 -1.00 0.00 0.00 55.73 52.75 1pco s ARG 65 Cb 0.01 -5.41 0.00 0.00 0.00 0.00 0.00 34.95 29.55 1pco s ARG 65 CO 0.06 -2.16 0.17 0.41 0.00 0.00 0.00 175.30 173.78 1pco n GLY 66 N 5.45 0.09 3.29 8.12 0.00 -1.26 -5.07 105.19 115.81 1pco n GLY 66 Ca 0.43 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.02 2.15 0.17 0.99 1.02 -1.26 -4.26 118.68 114.47 1pco s LEU 67 Ca 0.08 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 53.73 1pco s LEU 67 Cb -0.04 -1.14 -0.04 0.00 0.02 0.00 0.00 46.19 45.00 1pco s LEU 67 CO 0.10 0.22 0.25 0.28 0.02 0.00 0.00 176.35 177.23 1pco s THR 68 N -0.76 5.08 -0.97 5.49 -1.32 0.29 -4.72 115.64 118.73 1pco s THR 68 Ca 0.10 -0.85 -0.15 0.00 -1.21 0.00 0.00 61.69 59.57 1pco s THR 68 Cb -0.09 -3.63 0.19 0.00 -1.51 0.00 0.00 72.50 67.45 1pco s THR 68 CO 0.02 -0.14 1.04 0.00 -2.21 0.00 0.00 174.62 173.33 1pco s GLU 70 N 1.01 3.16 0.00 0.00 -6.30 0.45 -4.48 118.70 112.53 1pco s GLU 70 Ca 0.29 -0.70 0.00 0.00 -2.50 0.00 0.00 54.97 52.06 1pco s GLU 70 Cb -0.07 -3.95 0.00 0.00 0.00 0.00 0.00 34.13 30.11 1pco s GLU 70 CO -0.08 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.78 1pco n GLY 71 N 5.09 -0.22 4.83 -1.50 0.00 -1.26 -1.12 105.19 111.00 1pco n GLY 71 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pco n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pco n ASP 72 N 0.00 0.00 0.00 1.61 8.00 -1.26 -4.04 116.55 120.86 1pco n ASP 72 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1pco n ASP 72 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 1pco n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pco n LYS 73 N -1.80 0.00 -0.11 -1.24 4.01 -1.26 -2.99 118.16 114.77 1pco n LYS 73 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.81 1pco n LYS 73 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.53 1pco n LYS 73 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1pco n SER 74 N 8.05 0.43 0.15 4.39 3.41 -1.25 -2.79 113.62 126.01 1pco n SER 74 Ca 0.00 -1.48 0.01 0.00 -0.26 0.00 0.00 58.87 57.14 1pco n SER 74 Cb 0.00 -0.07 0.34 0.00 -0.26 0.00 0.00 64.21 64.22 1pco n SER 74 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1pco h LEU 75 N 0.00 0.12 -6.91 1.04 8.10 -1.86 -3.35 115.31 112.45 1pco h LEU 75 Ca 0.00 -0.04 -0.72 0.00 0.11 0.00 0.00 57.88 57.24 1pco h LEU 75 Cb 1.01 -0.03 -0.10 0.00 -0.44 0.00 0.00 40.66 41.10 1pco h LEU 75 CO 0.00 0.43 2.32 0.55 -4.11 0.00 0.00 178.44 177.63 1pco n VAL 76 N -4.14 3.93 -3.08 0.15 3.14 -1.26 -4.76 118.33 112.31 1pco n VAL 76 Ca -0.02 -3.93 0.01 0.00 -2.96 0.00 0.00 64.34 57.44 1pco n VAL 76 Cb 0.38 -2.46 -0.00 0.00 -1.06 0.00 0.00 33.84 30.70 1pco n VAL 76 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1pco s GLY 77 N 2.89 -1.33 -0.04 7.55 0.00 -1.26 -4.40 107.32 110.74 1pco s GLY 77 Ca 0.47 0.35 -0.30 0.00 0.00 0.00 0.00 44.72 45.23 1pco s GLY 77 CO -0.01 3.79 1.44 -0.56 0.00 0.00 0.00 173.10 177.77 1pco s SER 78 N 1.75 6.82 0.00 1.64 0.01 -1.26 -4.18 113.70 118.47 1pco s SER 78 Ca 0.17 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.52 1pco s SER 78 Cb -0.02 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1pco s SER 78 CO -0.08 -0.77 0.00 -0.38 0.41 0.00 0.00 173.24 172.41 1pco n ILE 79 N 4.95 0.00 -3.36 1.44 5.41 -1.26 -4.86 119.36 121.68 1pco n ILE 79 Ca 0.14 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.51 1pco n ILE 79 Cb 0.44 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.31 1pco n ILE 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1pco s THR 80 N 0.00 5.08 -1.34 1.39 -4.23 -1.26 -5.02 115.64 110.25 1pco s THR 80 Ca 0.00 0.96 -0.16 0.00 -1.18 0.00 0.00 61.69 61.30 1pco s THR 80 Cb 0.00 -3.80 0.07 0.00 1.34 0.00 0.00 72.50 70.11 1pco s THR 80 CO 0.00 0.43 1.87 0.59 -0.54 0.00 0.00 174.62 176.98 1pco n ASN 81 N 2.86 4.64 0.01 3.99 5.03 -1.26 -4.53 115.26 126.00 1pco n ASN 81 Ca -0.10 -2.90 0.11 0.00 0.87 0.00 0.00 54.58 52.56 1pco n ASN 81 Cb 0.52 -1.71 -0.05 0.00 -1.02 0.00 0.00 39.78 37.52 1pco n ASN 81 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1pco n THR 82 N 5.84 0.09 -2.54 3.41 -1.04 -1.26 -4.95 114.28 113.83 1pco n THR 82 Ca 0.49 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.05 61.92 1pco n THR 82 Cb 0.43 0.38 -0.04 0.00 -1.82 0.00 0.00 70.33 69.29 1pco n THR 82 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1pco s ASN 83 N -3.77 6.62 0.06 8.00 2.47 -1.26 -5.09 114.94 121.98 1pco s ASN 83 Ca 0.03 2.01 0.05 0.00 0.42 0.00 0.00 52.86 55.36 1pco s ASN 83 Cb 0.15 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.34 1pco s ASN 83 CO 0.84 -0.59 -0.13 -0.36 -3.72 0.00 0.00 177.10 173.14 1pco s PHE 84 N -1.75 1.13 0.34 0.43 0.08 -1.12 -3.95 117.98 113.14 1pco s PHE 84 Ca 0.61 -0.45 -0.07 0.00 0.12 0.00 0.00 56.93 57.14 1pco s PHE 84 Cb -0.20 -0.64 -0.05 0.00 -0.57 0.00 0.00 43.02 41.55 1pco s PHE 84 CO 0.25 0.03 0.64 0.20 -0.10 0.00 0.00 175.22 176.25 1pco s GLY 85 N -1.63 1.84 -0.13 4.36 0.00 -1.06 -4.67 107.32 106.03 1pco s GLY 85 Ca -0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 44.72 44.09 1pco s GLY 85 CO 0.02 -0.31 0.37 -0.42 0.00 0.00 0.00 173.10 172.75 1pco s ILE 86 N -2.23 5.25 0.03 0.90 -1.09 -0.28 -0.23 121.20 123.56 1pco s ILE 86 Ca 0.46 0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 59.30 1pco s ILE 86 Cb -0.10 -3.70 -0.09 0.00 -1.58 0.00 0.00 42.46 36.99 1pco s ILE 86 CO 0.32 0.38 1.92 0.00 -1.23 0.00 0.00 174.94 176.32 1pco s HIS 88 N 4.24 -0.10 -1.16 0.00 3.76 -0.64 -1.21 115.29 120.18 1pco s HIS 88 Ca 0.86 0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 55.90 1pco s HIS 88 Cb -0.42 0.02 0.24 0.00 1.11 0.00 0.00 32.58 33.53 1pco s HIS 88 CO 0.40 -0.16 1.36 -1.71 -0.85 0.00 0.00 174.74 173.78 1pco n ASN 89 N 2.44 5.53 0.15 1.40 2.85 -1.26 -0.55 115.26 125.83 1pco n ASN 89 Ca -0.16 -3.09 0.13 0.00 -0.11 0.00 0.00 54.58 51.34 1pco n ASN 89 Cb 0.58 -1.43 0.52 0.00 1.24 0.00 0.00 39.78 40.69 1pco n ASN 89 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1pco h VAL 90 N 3.92 0.00 0.08 3.44 -1.51 -1.88 -3.10 116.25 117.20 1pco h VAL 90 Ca 0.25 -0.25 -0.27 0.00 -1.23 0.00 0.00 66.70 65.20 1pco h VAL 90 Cb 0.80 1.00 0.02 0.00 -2.13 0.00 0.00 31.29 30.97 1pco h VAL 90 CO 1.21 0.00 -1.14 1.23 -1.23 0.00 0.00 177.57 177.63 1pco h GLY 91 N 2.10 0.54 0.00 5.19 0.00 -1.89 -3.47 103.07 105.54 1pco h GLY 91 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 47.33 46.22 1pco h GLY 91 CO 0.00 0.97 0.00 -0.96 0.00 0.00 0.00 176.54 176.55 1pco n ARG 92 N -3.72 0.00 0.00 4.80 1.85 -1.23 -5.24 116.66 113.11 1pco n ARG 92 Ca -0.10 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.87 1pco n ARG 92 Cb 0.94 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 32.56 1pco n ARG 92 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07