#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 3.01 -3.58 7.34 -0.04 -1.26 -4.97 135.00 135.50 1pco n PRO 2 Ca 0.00 -2.89 -0.40 0.00 -0.04 0.00 0.00 63.50 60.18 1pco n PRO 2 Cb 0.00 -3.34 -0.11 0.00 -0.04 0.00 0.00 33.50 30.01 1pco n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pco s ASP 3 N 3.42 5.85 -1.06 3.54 1.01 -1.26 -5.05 116.67 123.12 1pco s ASP 3 Ca 0.49 -0.51 -0.22 0.00 0.71 0.00 0.00 52.55 53.01 1pco s ASP 3 Cb 0.10 -2.08 0.05 0.00 1.01 0.00 0.00 42.92 42.00 1pco s ASP 3 CO -0.03 -0.24 1.50 -2.16 0.21 0.00 0.00 175.17 174.45 1pco s PRO 4 N 1.67 3.63 0.40 8.23 0.04 -1.26 -4.88 135.00 142.82 1pco s PRO 4 Ca 0.05 -1.23 0.21 0.00 0.04 0.00 0.00 61.00 60.08 1pco s PRO 4 Cb -0.17 -5.38 0.40 0.00 0.04 0.00 0.00 34.50 29.38 1pco s PRO 4 CO 0.09 -2.24 1.61 0.00 0.04 0.00 0.00 177.00 176.49 1pco h ARG 5 N 9.51 0.00 0.00 4.56 -0.00 -1.97 -3.49 114.38 122.99 1pco h ARG 5 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 1pco h ARG 5 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.96 1pco h ARG 5 CO 1.43 0.19 0.00 0.41 0.00 0.00 0.00 179.97 182.00 1pco n GLY 6 N 0.95 1.95 0.11 0.04 0.00 -1.26 -4.60 105.19 102.38 1pco n GLY 6 Ca 0.03 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 1pco n GLY 6 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pco h ILE 7 N 0.00 1.38 -1.47 -0.61 2.04 -1.97 -3.40 117.51 113.48 1pco h ILE 7 Ca 0.00 -1.33 -0.65 0.00 1.00 0.00 0.00 64.86 63.88 1pco h ILE 7 Cb 0.00 2.03 -0.12 0.00 -0.74 0.00 0.00 36.82 37.99 1pco h ILE 7 CO 0.00 0.38 1.48 -0.63 0.00 0.00 0.00 178.15 179.38 1pco s ILE 8 N -4.17 4.27 0.00 -0.67 1.01 -1.26 -4.72 121.20 115.66 1pco s ILE 8 Ca -0.15 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.11 1pco s ILE 8 Cb 0.04 -5.01 0.00 0.00 0.01 0.00 0.00 42.46 37.50 1pco s ILE 8 CO 0.73 -1.82 0.00 2.30 0.00 0.00 0.00 174.94 176.15 1pco n ILE 9 N 6.22 0.00 -3.19 2.92 -5.35 -1.26 -4.64 119.36 114.06 1pco n ILE 9 Ca 0.35 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.62 1pco n ILE 9 Cb 0.49 -0.20 0.02 0.00 -1.74 0.00 0.00 39.64 38.21 1pco n ILE 9 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1pco n ASN 10 N -0.43 -6.63 -4.12 7.28 6.94 -1.21 -4.95 115.26 112.14 1pco n ASN 10 Ca 0.00 0.29 -0.18 0.00 -0.02 0.00 0.00 54.58 54.66 1pco n ASN 10 Cb 0.00 -3.10 -0.13 0.00 -2.36 0.00 0.00 39.78 34.19 1pco n ASN 10 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1pco s LEU 11 N -2.20 2.18 0.66 -4.53 1.43 -1.17 -4.87 118.68 110.18 1pco s LEU 11 Ca 0.25 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1pco s LEU 11 Cb -0.04 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 1pco s LEU 11 CO 0.71 -0.02 1.05 -1.81 0.23 0.00 0.00 176.35 176.51 1pco s ASP 12 N -1.20 5.79 0.08 2.29 1.01 -1.26 -0.63 116.67 122.74 1pco s ASP 12 Ca -0.01 1.22 -0.30 0.00 0.71 0.00 0.00 52.55 54.17 1pco s ASP 12 Cb -0.08 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 1pco s ASP 12 CO 0.01 -1.12 1.09 -1.83 0.21 0.00 0.00 175.17 173.53 1pco s GLU 13 N -5.25 4.53 0.00 8.23 1.03 -1.26 -3.70 118.70 122.28 1pco s GLU 13 Ca 0.56 1.63 0.00 0.00 0.03 0.00 0.00 54.97 57.19 1pco s GLU 13 Cb -0.11 -3.37 0.00 0.00 -0.80 0.00 0.00 34.13 29.85 1pco s GLU 13 CO 0.52 -0.08 0.00 0.41 -1.33 0.00 0.00 175.26 174.79 1pco n GLY 14 N 2.76 1.70 3.10 -3.83 0.00 0.38 -4.93 105.19 104.38 1pco n GLY 14 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 1.16 0.03 1.61 0.41 -1.24 -4.91 118.70 115.14 1pco s GLU 15 Ca 0.00 -0.49 -0.30 0.00 -0.41 0.00 0.00 54.97 53.76 1pco s GLU 15 Cb 0.00 -1.11 -0.07 0.00 -1.78 0.00 0.00 34.13 31.17 1pco s GLU 15 CO 0.00 0.29 1.51 -0.51 -0.49 0.00 0.00 175.26 176.06 1pco s LEU 16 N -0.27 4.34 0.08 1.80 1.02 -1.26 -1.86 118.68 122.52 1pco s LEU 16 Ca 0.04 2.27 0.05 0.00 0.02 0.00 0.00 54.13 56.51 1pco s LEU 16 Cb -0.06 -3.56 -0.03 0.00 0.02 0.00 0.00 46.19 42.56 1pco s LEU 16 CO -0.00 -0.80 -0.13 0.00 0.02 0.00 0.00 176.35 175.44 1pco n LEU 18 N 0.99 1.19 -5.01 0.00 4.77 -1.26 -4.69 117.00 112.98 1pco n LEU 18 Ca -0.19 0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 55.80 1pco n LEU 18 Cb 0.55 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1pco n LEU 18 CO 0.24 -0.25 0.26 0.20 -1.33 0.00 0.00 177.39 176.50 1pco s ASN 19 N -2.11 5.36 0.00 -1.43 0.01 -1.26 -4.49 114.94 111.03 1pco s ASN 19 Ca 0.00 -0.48 0.17 0.00 -0.71 0.00 0.00 52.86 51.84 1pco s ASN 19 Cb 0.00 -0.37 0.75 0.00 0.41 0.00 0.00 41.25 42.04 1pco s ASN 19 CO 0.00 -1.05 1.55 -1.20 -1.51 0.00 0.00 177.10 174.89 1pco n SER 20 N -2.09 0.00 0.00 -1.22 7.64 -1.10 -3.72 113.62 113.13 1pco n SER 20 Ca 0.11 0.46 0.08 0.00 1.01 0.00 0.00 58.87 60.53 1pco n SER 20 Cb 0.60 -0.48 0.49 0.00 -1.01 0.00 0.00 64.21 63.80 1pco n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pco n ALA 21 N -1.48 2.48 -0.09 -0.43 0.00 -1.26 -3.63 120.51 116.10 1pco n ALA 21 Ca 0.05 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 1pco n ALA 21 Cb 0.20 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.79 0.68 -2.36 0.00 6.02 -1.24 -4.94 117.38 114.75 1pco n GLN 22 Ca 0.12 0.12 -0.31 0.00 -0.01 0.00 0.00 57.00 56.92 1pco n GLN 22 Cb 0.06 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 29.72 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 0.69 -0.10 -6.02 0.00 1.57 -1.21 -3.30 116.57 108.21 1pco h LYS 24 Ca -0.46 0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 57.74 1pco h LYS 24 Cb 1.19 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.41 1pco h LYS 24 CO 0.62 0.07 1.01 -1.54 -0.57 0.00 0.00 179.45 179.04 1pco s SER 25 N -5.24 6.26 -1.19 0.86 1.04 -1.26 -4.95 113.70 109.22 1pco s SER 25 Ca -0.14 -0.87 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 1pco s SER 25 Cb 0.04 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.57 1pco s SER 25 CO 0.65 -1.63 1.91 0.20 0.98 0.00 0.00 173.24 175.35 1pco s ASN 26 N 3.96 5.22 -0.37 7.02 -0.87 -1.24 -4.74 114.94 123.91 1pco s ASN 26 Ca 0.34 -1.72 0.07 0.00 -1.57 0.00 0.00 52.86 49.98 1pco s ASN 26 Cb -0.08 -2.59 0.18 0.00 -0.02 0.00 0.00 41.25 38.74 1pco s ASN 26 CO 0.07 -2.88 0.58 0.00 -2.57 0.00 0.00 177.10 172.31 1pco s GLN 29 N 3.94 3.74 -0.30 0.00 2.00 -0.92 -1.03 119.66 127.08 1pco s GLN 29 Ca 0.46 0.04 -0.28 0.00 -2.00 0.00 0.00 55.36 53.58 1pco s GLN 29 Cb -0.10 -3.78 0.01 0.00 0.80 0.00 0.00 33.01 29.94 1pco s GLN 29 CO 0.22 -0.63 1.02 -1.58 -0.50 0.00 0.00 175.29 173.81 1pco s HIS 30 N 2.53 3.20 -0.68 1.67 5.65 0.23 -2.46 115.29 125.43 1pco s HIS 30 Ca 0.22 1.19 -0.05 0.00 0.25 0.00 0.00 55.06 56.67 1pco s HIS 30 Cb -0.15 -3.53 -0.09 0.00 -1.18 0.00 0.00 32.58 27.63 1pco s HIS 30 CO 0.13 -0.67 2.26 -0.40 -0.65 0.00 0.00 174.74 175.41 1pco n ASP 31 N 6.65 4.65 -2.98 9.88 5.75 -1.24 -4.54 116.55 134.72 1pco n ASP 31 Ca 0.11 -2.27 -0.01 0.00 -0.01 0.00 0.00 54.79 52.61 1pco n ASP 31 Cb 0.47 -1.05 0.01 0.00 -1.03 0.00 0.00 41.12 39.51 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 3.68 -9.54 0.00 2.12 -2.24 -1.26 -3.74 114.28 103.31 1pco n THR 32 Ca 0.41 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1pco n THR 32 Cb 0.27 -6.69 0.00 0.00 -2.10 0.00 0.00 70.33 61.81 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 -1.84 0.00 0.30 2.28 -0.00 -1.26 -4.81 119.36 114.02 1pco n ILE 33 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 62.75 62.90 1pco n ILE 33 Cb 0.51 0.00 0.79 0.00 -0.00 0.00 0.00 39.64 40.94 1pco n ILE 33 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 1pco h LEU 34 N 0.00 0.00 0.00 1.39 5.85 -1.95 -3.47 115.31 117.13 1pco h LEU 34 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pco h LEU 34 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1pco h LEU 34 CO 0.00 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.56 1pco n SER 35 N -3.02 -0.48 -4.55 1.25 3.41 -1.26 -5.01 113.62 103.97 1pco n SER 35 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1pco n SER 35 Cb 0.43 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.00 3.26 -0.46 1.04 2.96 -1.26 -4.90 118.68 119.32 1pco s LEU 36 Ca 0.00 -0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 53.40 1pco s LEU 36 Cb 0.00 -2.55 0.05 0.00 0.50 0.00 0.00 46.19 44.19 1pco s LEU 36 CO 0.00 -2.21 0.45 -0.44 -1.32 0.00 0.00 176.35 172.82 1pco s SER 37 N 6.62 6.17 -0.04 3.68 0.01 -1.26 -3.72 113.70 125.16 1pco s SER 37 Ca 0.57 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.88 1pco s SER 37 Cb -0.08 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.94 1pco s SER 37 CO 0.10 -0.66 -0.10 -0.60 0.41 0.00 0.00 173.24 172.40 1pco s ARG 38 N 2.02 1.21 0.64 12.44 3.52 -1.03 -1.73 118.95 136.02 1pco s ARG 38 Ca 0.09 -0.32 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 1pco s ARG 38 Cb -0.20 -1.08 -0.01 0.00 -1.56 0.00 0.00 34.95 32.10 1pco s ARG 38 CO 0.10 0.06 1.25 0.00 -0.81 0.00 0.00 175.30 175.90 1pco s ALA 40 N -1.55 2.21 0.26 0.00 0.00 -1.05 -0.47 121.76 121.17 1pco s ALA 40 Ca 0.80 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1pco s ALA 40 Cb -0.34 0.94 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 1pco s ALA 40 CO 0.38 -0.42 0.74 -1.17 0.00 0.00 0.00 175.76 175.29 1pco s LEU 41 N -3.44 4.25 0.39 0.00 2.96 -1.26 -4.78 118.68 116.81 1pco s LEU 41 Ca 0.34 1.39 -0.26 0.00 -0.22 0.00 0.00 54.13 55.38 1pco s LEU 41 Cb 0.06 -3.76 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 1pco s LEU 41 CO 0.16 -0.05 1.19 -1.59 -1.32 0.00 0.00 176.35 174.74 1pco s LYS 42 N -2.29 4.11 0.82 1.98 -2.85 -1.26 -4.71 119.74 115.54 1pco s LYS 42 Ca 0.47 1.90 -0.12 0.00 -1.00 0.00 0.00 55.97 57.22 1pco s LYS 42 Cb -0.15 -2.75 0.09 0.00 -2.06 0.00 0.00 37.83 32.96 1pco s LYS 42 CO 0.20 -0.29 1.17 0.00 0.10 0.00 0.00 175.35 176.52 1pco s ALA 43 N -1.36 2.49 0.47 0.59 0.00 -0.32 -4.73 121.76 118.89 1pco s ALA 43 Ca 0.56 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1pco s ALA 43 Cb -0.32 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1pco s ALA 43 CO 0.41 -1.77 0.25 1.03 0.00 0.00 0.00 175.76 175.68 1pco s ARG 44 N -5.50 2.26 0.29 0.00 0.52 -1.26 -2.69 118.95 112.57 1pco s ARG 44 Ca 0.62 -1.94 -0.29 0.00 -0.52 0.00 0.00 55.73 53.59 1pco s ARG 44 Cb -0.12 -2.00 -0.10 0.00 0.52 0.00 0.00 34.95 33.25 1pco s ARG 44 CO 0.50 -0.32 1.44 -2.00 0.02 0.00 0.00 175.30 174.95 1pco s GLU 45 N -4.05 4.24 -0.94 3.54 2.12 -1.26 -2.72 118.70 119.63 1pco s GLU 45 Ca 0.35 2.37 0.00 0.00 0.36 0.00 0.00 54.97 58.05 1pco s GLU 45 Cb 0.01 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1pco s GLU 45 CO 0.20 -0.42 0.00 0.09 -0.54 0.00 0.00 175.26 174.59 1pco n ASN 46 N 1.73 -3.84 -4.34 -1.70 3.02 0.01 -4.97 115.26 105.17 1pco n ASN 46 Ca 0.05 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.48 1pco n ASN 46 Cb 0.40 -2.49 -0.13 0.00 -0.61 0.00 0.00 39.78 36.95 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 -2.79 2.99 0.20 6.41 0.15 -1.10 -4.87 113.70 114.69 1pco s SER 47 Ca 0.00 -0.68 -0.30 0.00 0.70 0.00 0.00 55.95 55.66 1pco s SER 47 Cb 0.00 -0.21 -0.09 0.00 -1.71 0.00 0.00 66.02 64.01 1pco s SER 47 CO 0.00 0.16 1.39 -1.83 1.20 0.00 0.00 173.24 174.16 1pco s GLU 48 N -1.79 4.32 0.06 5.44 -1.05 -1.26 -1.07 118.70 123.35 1pco s GLU 48 Ca 0.11 2.17 0.01 0.00 -0.15 0.00 0.00 54.97 57.11 1pco s GLU 48 Cb -0.10 -3.17 -0.03 0.00 -0.44 0.00 0.00 34.13 30.39 1pco s GLU 48 CO 0.04 -0.37 -0.06 0.00 0.95 0.00 0.00 175.26 175.82 1pco s SER 50 N -2.48 6.91 -0.05 0.00 1.04 -0.96 -2.51 113.70 115.67 1pco s SER 50 Ca 0.02 1.04 -0.20 0.00 0.48 0.00 0.00 55.95 57.29 1pco s SER 50 Cb 0.00 -2.51 -0.14 0.00 0.10 0.00 0.00 66.02 63.47 1pco s SER 50 CO -0.04 -0.76 0.85 0.00 0.98 0.00 0.00 173.24 174.27 1pco h ALA 51 N 7.93 -0.28 -2.35 5.32 0.00 -1.82 -3.36 119.26 124.70 1pco h ALA 51 Ca -0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1pco h ALA 51 Cb 1.07 0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 1pco h ALA 51 CO 0.98 -0.35 -0.19 -0.59 0.00 0.00 0.00 179.25 179.11 1pco s PHE 52 N -3.48 -0.86 0.00 0.00 -0.71 -1.26 -5.04 117.98 106.63 1pco s PHE 52 Ca -0.12 1.71 0.00 0.00 -1.04 0.00 0.00 56.93 57.48 1pco s PHE 52 Cb 0.01 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.26 1pco s PHE 52 CO 0.44 -0.46 0.00 2.41 -1.34 0.00 0.00 175.22 176.27 1pco n THR 53 N 4.56 0.00 0.00 -4.49 -1.04 -1.26 -4.70 114.28 107.34 1pco n THR 53 Ca -0.19 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1pco n THR 53 Cb 0.55 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1pco n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pco n LEU 54 N -2.15 0.00 0.00 -4.42 -0.00 -1.26 -4.88 117.00 104.28 1pco n LEU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1pco n LEU 54 Cb 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1pco n LEU 54 CO 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 177.39 177.02 1pco n TYR 55 N -2.10 -0.76 0.00 1.47 9.36 -1.26 -5.16 117.16 118.71 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 0.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 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 -1.40 0.48 3.77 2.98 0.00 -1.26 -4.22 105.19 105.54 1pco n GLY 56 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 2.58 4.25 0.10 1.61 1.01 -1.26 -2.69 120.40 126.00 1pco s VAL 57 Ca 0.00 1.82 0.09 0.00 0.00 0.00 0.00 61.98 63.90 1pco s VAL 57 Cb 0.00 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1pco s VAL 57 CO 0.00 0.43 -0.24 -0.31 0.00 0.00 0.00 175.10 174.98 1pco s TYR 58 N -1.26 2.04 -1.09 5.22 2.02 -0.20 -4.86 117.35 119.21 1pco s TYR 58 Ca 0.40 -0.40 0.26 0.00 -0.37 0.00 0.00 57.07 56.97 1pco s TYR 58 Cb -0.23 -1.13 1.17 0.00 -0.40 0.00 0.00 41.96 41.37 1pco s TYR 58 CO 0.27 0.23 1.86 0.66 -1.57 0.00 0.00 175.55 177.01 1pco n TYR 59 N 1.18 0.00 -3.63 2.71 4.01 -1.26 -0.61 117.16 119.56 1pco n TYR 59 Ca -0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.43 1pco n TYR 59 Cb 0.53 -0.45 -0.07 0.00 -0.31 0.00 0.00 39.34 39.04 1pco n TYR 59 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1pco s LYS 60 N -2.91 0.77 0.50 -0.72 0.00 -1.26 -4.89 119.74 111.24 1pco s LYS 60 Ca 0.15 0.92 -0.12 0.00 0.00 0.00 0.00 55.97 56.92 1pco s LYS 60 Cb 0.17 0.38 -0.06 0.00 0.00 0.00 0.00 37.83 38.32 1pco s LYS 60 CO 0.46 -0.09 0.91 0.00 0.00 0.00 0.00 175.35 176.63 1pco s PRO 62 N -4.30 0.46 0.70 0.00 0.04 -1.26 -2.26 135.00 128.38 1pco s PRO 62 Ca 0.55 0.28 -0.06 0.00 0.04 0.00 0.00 61.00 61.80 1pco s PRO 62 Cb -0.10 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.74 1pco s PRO 62 CO 0.37 -2.66 1.00 0.00 0.04 0.00 0.00 177.00 175.76 1pco n GLU 64 N -2.89 0.37 -1.90 0.00 0.28 -1.10 -4.76 120.64 110.64 1pco n GLU 64 Ca 0.08 0.20 -0.43 0.00 -0.16 0.00 0.00 57.16 56.85 1pco n GLU 64 Cb 0.60 -2.45 -0.03 0.00 1.43 0.00 0.00 31.44 31.00 1pco n GLU 64 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1pco s ARG 65 N -3.94 3.58 0.00 3.44 3.00 -1.26 -2.08 118.95 121.70 1pco s ARG 65 Ca 0.75 1.84 0.00 0.00 0.00 0.00 0.00 55.73 58.32 1pco s ARG 65 Cb -0.31 -4.17 0.00 0.00 0.00 0.00 0.00 34.95 30.47 1pco s ARG 65 CO 0.49 -1.57 0.00 0.41 0.00 0.00 0.00 175.30 174.63 1pco n GLY 66 N 5.08 1.44 3.85 -3.53 0.00 -1.26 -5.12 105.19 105.65 1pco n GLY 66 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 4.40 0.09 0.99 2.96 -0.88 -4.97 118.68 121.27 1pco s LEU 67 Ca 0.00 0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 54.50 1pco s LEU 67 Cb 0.00 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1pco s LEU 67 CO 0.00 0.35 0.31 0.28 -1.32 0.00 0.00 176.35 175.96 1pco s THR 68 N -0.87 5.26 -0.58 3.68 -1.32 -0.59 -4.65 115.64 116.56 1pco s THR 68 Ca 0.18 -0.05 -0.19 0.00 -1.21 0.00 0.00 61.69 60.41 1pco s THR 68 Cb -0.14 -3.61 0.10 0.00 -1.51 0.00 0.00 72.50 67.33 1pco s THR 68 CO 0.07 0.14 0.70 0.00 -2.21 0.00 0.00 174.62 173.32 1pco s GLU 70 N 2.74 3.06 0.00 0.00 -1.05 -0.69 -4.80 118.70 117.97 1pco s GLU 70 Ca 0.12 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 1pco s GLU 70 Cb -0.23 -4.03 0.00 0.00 -0.44 0.00 0.00 34.13 29.43 1pco s GLU 70 CO 0.07 -0.96 0.00 0.41 0.95 0.00 0.00 175.26 175.73 1pco n GLY 71 N 5.15 3.64 3.47 -3.83 0.00 -1.26 -1.79 105.19 110.57 1pco n GLY 71 Ca -0.09 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 3.74 0.22 1.61 1.11 -1.23 -3.79 116.67 118.33 1pco s ASP 72 Ca 0.00 -0.68 0.00 0.00 0.18 0.00 0.00 52.55 52.05 1pco s ASP 72 Cb 0.00 -0.44 0.00 0.00 1.07 0.00 0.00 42.92 43.55 1pco s ASP 72 CO 0.00 0.15 0.00 1.17 1.18 0.00 0.00 175.17 177.67 1pco n LYS 73 N 0.54 0.00 -2.37 8.23 0.00 -1.24 -4.78 118.16 118.53 1pco n LYS 73 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.17 1pco n LYS 73 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 1pco n LYS 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1pco n SER 74 N 5.63 -9.68 0.08 3.14 2.88 -1.26 -2.00 113.62 112.41 1pco n SER 74 Ca 0.00 1.89 0.02 0.00 -1.33 0.00 0.00 58.87 59.45 1pco n SER 74 Cb 0.00 -5.27 0.38 0.00 -0.75 0.00 0.00 64.21 58.57 1pco n SER 74 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1pco h LEU 75 N 4.33 0.32 -8.21 2.46 7.12 -1.94 -3.38 115.31 116.02 1pco h LEU 75 Ca 0.00 -0.05 -0.53 0.00 0.13 0.00 0.00 57.88 57.43 1pco h LEU 75 Cb 0.00 -0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 39.96 1pco h LEU 75 CO 0.00 0.41 1.27 -0.69 -0.13 0.00 0.00 178.44 179.30 1pco s VAL 76 N -4.91 3.76 0.00 1.05 1.01 -1.26 -4.76 120.40 115.30 1pco s VAL 76 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1pco s VAL 76 Cb 0.16 -4.79 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1pco s VAL 76 CO 0.74 -1.69 0.00 0.61 0.00 0.00 0.00 175.10 174.75 1pco n GLY 77 N 6.48 3.01 2.01 4.51 0.00 -1.26 -4.75 105.19 115.18 1pco n GLY 77 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1pco n GLY 77 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pco n SER 78 N 0.00 -0.18 -3.74 1.61 2.88 -1.26 -5.09 113.62 107.84 1pco n SER 78 Ca 0.00 0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.55 1pco n SER 78 Cb 0.00 0.26 -0.11 0.00 -0.75 0.00 0.00 64.21 63.61 1pco n SER 78 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1pco s ILE 79 N -1.24 -0.01 0.53 2.46 2.07 -1.26 -5.13 121.20 118.62 1pco s ILE 79 Ca 0.00 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 1pco s ILE 79 Cb 0.00 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.10 1pco s ILE 79 CO 0.00 0.02 0.00 0.35 -1.91 0.00 0.00 174.94 173.40 1pco n THR 80 N 3.37 -1.02 -2.81 4.00 -2.24 -1.26 -4.76 114.28 109.56 1pco n THR 80 Ca -0.17 0.87 -0.43 0.00 -2.27 0.00 0.00 64.05 62.06 1pco n THR 80 Cb 0.56 -1.33 0.01 0.00 -2.10 0.00 0.00 70.33 67.47 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 -3.80 6.29 0.00 3.42 6.94 -1.26 -4.88 115.26 121.96 1pco n ASN 81 Ca -0.07 -3.37 0.00 0.00 -0.02 0.00 0.00 54.58 51.12 1pco n ASN 81 Cb 0.56 -1.31 0.00 0.00 -2.36 0.00 0.00 39.78 36.68 1pco n ASN 81 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1pco n THR 82 N 1.61 0.00 -3.25 5.53 5.66 -1.26 -4.96 114.28 117.61 1pco n THR 82 Ca 0.31 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.19 1pco n THR 82 Cb 0.33 -0.28 -0.05 0.00 -1.55 0.00 0.00 70.33 68.77 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 -1.00 0.24 0.17 1.09 0.01 -1.25 -3.71 114.94 110.49 1pco s ASN 83 Ca 0.00 -1.59 0.06 0.00 -0.71 0.00 0.00 52.86 50.62 1pco s ASN 83 Cb 0.00 0.95 -0.04 0.00 0.41 0.00 0.00 41.25 42.57 1pco s ASN 83 CO 0.00 -0.20 0.05 -0.36 -1.51 0.00 0.00 177.10 175.08 1pco s PHE 84 N 1.30 2.96 -0.06 2.20 0.40 -0.85 -4.07 117.98 119.87 1pco s PHE 84 Ca 0.20 -0.09 -0.29 0.00 -0.60 0.00 0.00 56.93 56.15 1pco s PHE 84 Cb -0.09 -1.43 0.10 0.00 0.51 0.00 0.00 43.02 42.11 1pco s PHE 84 CO -0.05 0.52 0.88 0.20 0.70 0.00 0.00 175.22 177.46 1pco s GLY 85 N -2.97 -0.42 -0.04 4.36 0.00 -1.04 -3.56 107.32 103.65 1pco s GLY 85 Ca 0.29 1.40 -0.14 0.00 0.00 0.00 0.00 44.72 46.27 1pco s GLY 85 CO 0.20 0.68 0.37 -0.42 0.00 0.00 0.00 173.10 173.94 1pco s ILE 86 N -2.11 5.12 -0.09 0.90 -1.09 -0.74 -0.41 121.20 122.78 1pco s ILE 86 Ca -0.00 0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 58.87 1pco s ILE 86 Cb -0.01 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1pco s ILE 86 CO -0.02 0.55 1.25 0.00 -1.23 0.00 0.00 174.94 175.49 1pco s HIS 88 N 2.69 0.43 -0.62 0.00 3.76 -0.25 -0.81 115.29 120.49 1pco s HIS 88 Ca 0.57 -0.92 -0.02 0.00 -0.15 0.00 0.00 55.06 54.54 1pco s HIS 88 Cb -0.25 -0.31 0.40 0.00 1.11 0.00 0.00 32.58 33.53 1pco s HIS 88 CO 0.20 -0.38 2.05 -1.71 -0.85 0.00 0.00 174.74 174.05 1pco n ASN 89 N 0.29 7.49 -3.43 1.40 5.15 -1.26 -1.55 115.26 123.35 1pco n ASN 89 Ca -0.15 -3.67 -0.16 0.00 -0.60 0.00 0.00 54.58 50.00 1pco n ASN 89 Cb 0.60 -1.00 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1pco n ASN 89 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pco n VAL 90 N -0.67 -6.48 -1.81 3.44 0.31 -1.26 -4.89 118.33 106.97 1pco n VAL 90 Ca 0.57 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 64.47 1pco n VAL 90 Cb 0.62 -4.78 0.00 0.00 -0.91 0.00 0.00 33.84 28.77 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 -1.43 4.41 3.09 2.92 0.00 -1.26 -4.57 105.19 108.35 1pco n GLY 91 Ca -0.15 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 1pco n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pco n ARG 92 N 5.92 -1.64 0.00 1.61 5.12 -1.26 -5.29 116.66 121.12 1pco n ARG 92 Ca 0.51 1.23 0.12 0.00 -1.93 0.00 0.00 57.85 57.78 1pco n ARG 92 Cb 0.39 -5.69 0.73 0.00 -1.16 0.00 0.00 32.46 26.72 1pco n ARG 92 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15