#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 2.87 -0.82 5.55 0.04 -1.26 -4.51 135.00 136.88 1pco s PRO 2 Ca 0.00 0.10 -0.00 0.00 0.04 0.00 0.00 61.00 61.13 1pco s PRO 2 Cb 0.00 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1pco s PRO 2 CO 0.00 -2.58 0.62 -0.40 0.04 0.00 0.00 177.00 174.67 1pco n ASP 3 N 11.52 -5.28 -4.58 6.66 5.68 -1.26 -4.89 116.55 124.40 1pco n ASP 3 Ca 0.18 -0.84 -0.38 0.00 -0.50 0.00 0.00 54.79 53.25 1pco n ASP 3 Cb 0.50 -2.21 -0.02 0.00 -1.14 0.00 0.00 41.12 38.25 1pco n ASP 3 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1pco s PRO 4 N -4.67 3.47 0.00 0.11 0.04 -1.26 -4.70 135.00 127.99 1pco s PRO 4 Ca 0.00 -1.65 0.00 0.00 0.04 0.00 0.00 61.00 59.39 1pco s PRO 4 Cb -0.00 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 29.11 1pco s PRO 4 CO 0.88 -2.82 0.00 -2.13 0.04 0.00 0.00 177.00 172.96 1pco n ARG 5 N 8.40 0.00 -1.79 4.56 0.63 -1.26 -4.86 116.66 122.34 1pco n ARG 5 Ca 0.47 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 57.23 1pco n ARG 5 Cb 0.46 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.33 1pco n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pco n GLY 6 N 0.00 0.89 0.02 5.14 0.00 -1.26 -4.95 105.19 105.02 1pco n GLY 6 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1pco n GLY 6 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pco n ILE 7 N -3.10 0.10 -2.22 -0.61 5.41 -1.26 -4.94 119.36 112.74 1pco n ILE 7 Ca -0.17 -0.22 -0.43 0.00 1.00 0.00 0.00 62.75 62.93 1pco n ILE 7 Cb 0.57 0.35 -0.02 0.00 -0.71 0.00 0.00 39.64 39.83 1pco n ILE 7 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1pco s ILE 8 N -3.20 3.91 0.00 1.39 1.01 -1.26 -4.74 121.20 118.32 1pco s ILE 8 Ca 0.03 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.81 1pco s ILE 8 Cb 0.15 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1pco s ILE 8 CO 0.83 -0.08 0.00 2.30 0.00 0.00 0.00 174.94 177.98 1pco n ILE 9 N 5.30 0.00 -3.39 2.92 -5.35 -0.58 -5.02 119.36 113.25 1pco n ILE 9 Ca 0.15 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.36 1pco n ILE 9 Cb 0.44 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.24 1pco n ILE 9 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1pco s ASN 10 N -0.96 1.56 0.08 7.28 4.22 -1.19 -4.32 114.94 121.62 1pco s ASN 10 Ca 0.00 -2.92 0.04 0.00 -2.14 0.00 0.00 52.86 47.84 1pco s ASN 10 Cb 0.00 -0.39 -0.03 0.00 1.28 0.00 0.00 41.25 42.11 1pco s ASN 10 CO 0.00 -0.19 -0.11 -0.76 -2.04 0.00 0.00 177.10 174.00 1pco s LEU 11 N 0.22 2.33 0.61 3.54 1.43 -0.97 -4.84 118.68 121.00 1pco s LEU 11 Ca 0.31 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1pco s LEU 11 Cb 0.00 -0.37 -0.00 0.00 0.03 0.00 0.00 46.19 45.85 1pco s LEU 11 CO -0.17 -0.18 0.96 -1.81 0.23 0.00 0.00 176.35 175.38 1pco s ASP 12 N -2.05 5.71 0.20 2.29 1.01 -1.26 -0.97 116.67 121.60 1pco s ASP 12 Ca 0.00 0.95 -0.30 0.00 0.71 0.00 0.00 52.55 53.91 1pco s ASP 12 Cb -0.07 -1.93 -0.08 0.00 1.01 0.00 0.00 42.92 41.85 1pco s ASP 12 CO 0.01 -1.06 1.02 -1.83 0.21 0.00 0.00 175.17 173.52 1pco s GLU 13 N -5.09 4.72 0.00 8.23 1.03 -1.26 -3.70 118.70 122.62 1pco s GLU 13 Ca 0.54 1.60 0.00 0.00 0.03 0.00 0.00 54.97 57.14 1pco s GLU 13 Cb -0.11 -3.28 0.00 0.00 -0.80 0.00 0.00 34.13 29.94 1pco s GLU 13 CO 0.48 0.28 0.00 0.41 -1.33 0.00 0.00 175.26 175.10 1pco n GLY 14 N 1.74 0.67 3.57 -3.83 0.00 0.31 -4.92 105.19 102.71 1pco n GLY 14 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.78 2.09 0.07 1.61 2.02 -1.24 -4.89 118.70 117.57 1pco s GLU 15 Ca 0.00 -1.04 -0.31 0.00 0.02 0.00 0.00 54.97 53.64 1pco s GLU 15 Cb 0.00 -2.28 -0.07 0.00 0.10 0.00 0.00 34.13 31.88 1pco s GLU 15 CO 0.00 0.51 1.41 -1.17 0.02 0.00 0.00 175.26 176.02 1pco s LEU 16 N -2.18 4.35 0.10 1.80 0.20 -1.26 -1.87 118.68 119.82 1pco s LEU 16 Ca 0.21 2.26 0.06 0.00 0.69 0.00 0.00 54.13 57.35 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 0.13 -0.68 -0.16 0.00 -0.29 0.00 0.00 176.35 175.35 1pco n LEU 18 N 0.95 1.81 -5.01 0.00 4.77 -1.26 -4.63 117.00 113.63 1pco n LEU 18 Ca -0.19 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 1pco n LEU 18 Cb 0.55 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.73 1pco n LEU 18 CO 0.24 0.00 0.48 0.20 -1.33 0.00 0.00 177.39 176.98 1pco s ASN 19 N -1.00 4.61 0.00 -1.43 0.01 -1.26 -4.74 114.94 111.13 1pco s ASN 19 Ca 0.00 -0.51 0.17 0.00 -0.71 0.00 0.00 52.86 51.81 1pco s ASN 19 Cb 0.00 0.06 0.82 0.00 0.41 0.00 0.00 41.25 42.54 1pco s ASN 19 CO 0.00 -1.68 1.49 -1.20 -1.51 0.00 0.00 177.10 174.20 1pco n SER 20 N -2.63 0.00 0.00 -1.22 7.64 -1.25 -3.47 113.62 112.69 1pco n SER 20 Ca 0.15 0.10 0.04 0.00 1.01 0.00 0.00 58.87 60.17 1pco n SER 20 Cb 0.61 -0.31 0.22 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.31 2.36 -0.11 -0.43 0.00 -1.26 -4.13 120.51 115.63 1pco n ALA 21 Ca 0.07 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1pco n ALA 21 Cb 0.14 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.64 0.56 -2.95 0.00 1.13 -1.23 -1.52 117.38 112.73 1pco n GLN 22 Ca 0.06 0.52 -0.34 0.00 -1.94 0.00 0.00 57.00 55.29 1pco n GLN 22 Cb 0.03 -1.70 -0.06 0.00 0.11 0.00 0.00 30.24 28.62 1pco n GLN 22 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pco h LYS 24 N 2.57 -0.33 -6.15 0.00 1.57 -1.24 -3.25 116.57 109.74 1pco h LYS 24 Ca -0.48 0.02 -0.58 0.00 -1.87 0.00 0.00 60.65 57.74 1pco h LYS 24 Cb 1.18 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.47 1pco h LYS 24 CO 0.64 -0.22 0.79 -1.12 -0.57 0.00 0.00 179.45 178.97 1pco s SER 25 N -4.94 6.33 -1.18 0.86 0.01 -1.26 -4.96 113.70 108.56 1pco s SER 25 Ca -0.15 -0.28 -0.23 0.00 1.31 0.00 0.00 55.95 56.60 1pco s SER 25 Cb 0.10 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 1pco s SER 25 CO 0.66 -1.44 1.93 0.54 0.41 0.00 0.00 173.24 175.35 1pco s ASN 26 N 3.12 5.05 -0.41 2.44 2.20 -1.23 -4.74 114.94 121.37 1pco s ASN 26 Ca 0.35 -1.66 0.07 0.00 -0.94 0.00 0.00 52.86 50.68 1pco s ASN 26 Cb -0.10 -2.59 0.23 0.00 -2.00 0.00 0.00 41.25 36.78 1pco s ASN 26 CO 0.20 -3.06 0.51 0.00 -2.94 0.00 0.00 177.10 171.81 1pco s GLN 29 N 4.41 3.50 0.54 0.00 -0.44 -0.60 -0.68 119.66 126.40 1pco s GLN 29 Ca 0.51 -0.64 -0.11 0.00 -2.50 0.00 0.00 55.36 52.62 1pco s GLN 29 Cb -0.10 -3.78 -0.05 0.00 -1.64 0.00 0.00 33.01 27.44 1pco s GLN 29 CO 0.29 -0.43 0.94 -1.58 0.50 0.00 0.00 175.29 175.01 1pco s HIS 30 N 1.71 3.56 0.07 1.67 5.65 0.14 -2.27 115.29 125.82 1pco s HIS 30 Ca 0.06 1.20 -0.31 0.00 0.25 0.00 0.00 55.06 56.26 1pco s HIS 30 Cb -0.17 -2.62 -0.18 0.00 -1.18 0.00 0.00 32.58 28.43 1pco s HIS 30 CO 0.10 -0.47 1.63 0.38 -0.65 0.00 0.00 174.74 175.73 1pco h ASP 31 N 0.23 -0.64 0.00 9.88 2.03 -1.36 -3.41 116.42 123.16 1pco h ASP 31 Ca -0.46 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1pco h ASP 31 Cb 1.19 0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 1pco h ASP 31 CO 0.62 -0.44 0.00 1.07 -1.03 0.00 0.00 179.24 179.46 1pco n THR 32 N -5.41 0.00 0.00 1.15 5.66 -1.26 -4.99 114.28 109.43 1pco n THR 32 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1pco n THR 32 Cb 0.31 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 1pco n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pco n ILE 33 N 0.00 0.00 0.00 1.09 0.13 -1.26 -4.17 119.36 115.15 1pco n ILE 33 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1pco n ILE 33 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 39.64 38.76 1pco n ILE 33 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1pco n LEU 34 N -2.13 1.68 0.00 9.51 4.77 -1.26 -5.06 117.00 124.51 1pco n LEU 34 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1pco n LEU 34 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1pco n LEU 34 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 1pco n SER 35 N -0.33 0.00 -3.04 -1.43 3.41 -1.26 -5.04 113.62 105.93 1pco n SER 35 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1pco n SER 35 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1pco n SER 35 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1pco n LEU 36 N 0.00 -6.33 -4.11 1.04 0.00 -1.26 -2.55 117.00 103.78 1pco n LEU 36 Ca 0.00 0.38 -0.34 0.00 0.00 0.00 0.00 56.01 56.06 1pco n LEU 36 Cb 0.00 -2.86 -0.14 0.00 0.00 0.00 0.00 43.42 40.42 1pco n LEU 36 CO 0.00 -1.73 -0.37 -0.44 0.00 0.00 0.00 177.39 174.86 1pco s SER 37 N -2.20 4.76 0.00 1.96 0.01 -1.26 -2.90 113.70 114.07 1pco s SER 37 Ca 0.27 -1.51 0.06 0.00 1.31 0.00 0.00 55.95 56.08 1pco s SER 37 Cb -0.06 -1.66 -0.02 0.00 0.21 0.00 0.00 66.02 64.50 1pco s SER 37 CO 0.79 -0.28 -0.19 -0.60 0.41 0.00 0.00 173.24 173.37 1pco s ARG 38 N 1.14 1.43 0.51 12.44 3.52 -0.96 -2.07 118.95 134.96 1pco s ARG 38 Ca -0.03 -0.72 -0.21 0.00 -0.13 0.00 0.00 55.73 54.64 1pco s ARG 38 Cb -0.20 -1.42 -0.06 0.00 -1.56 0.00 0.00 34.95 31.71 1pco s ARG 38 CO -0.04 0.38 1.21 0.00 -0.81 0.00 0.00 175.30 176.04 1pco n ALA 40 N -0.92 0.56 -2.09 0.00 0.00 -1.03 -0.53 120.51 116.50 1pco n ALA 40 Ca 0.10 -1.56 -0.37 0.00 0.00 0.00 0.00 53.44 51.61 1pco n ALA 40 Cb 0.48 1.26 -0.06 0.00 0.00 0.00 0.00 19.45 21.13 1pco n ALA 40 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pco s LEU 41 N 0.00 4.42 0.38 0.00 2.96 -1.26 -4.78 118.68 120.40 1pco s LEU 41 Ca 0.32 1.46 -0.26 0.00 -0.22 0.00 0.00 54.13 55.43 1pco s LEU 41 Cb 0.02 -3.44 -0.09 0.00 0.50 0.00 0.00 46.19 43.17 1pco s LEU 41 CO 0.23 0.10 1.12 -0.75 -1.32 0.00 0.00 176.35 175.73 1pco s LYS 42 N -1.68 4.18 0.52 1.98 2.20 -1.26 -4.77 119.74 120.89 1pco s LYS 42 Ca 0.40 1.74 -0.18 0.00 -0.36 0.00 0.00 55.97 57.57 1pco s LYS 42 Cb -0.19 -2.72 -0.07 0.00 -1.51 0.00 0.00 37.83 33.34 1pco s LYS 42 CO 0.22 -0.18 1.02 0.00 -0.36 0.00 0.00 175.35 176.05 1pco s ALA 43 N -1.44 2.89 0.46 3.13 0.00 -0.41 -4.80 121.76 121.59 1pco s ALA 43 Ca 0.55 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.99 1pco s ALA 43 Cb -0.28 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1pco s ALA 43 CO 0.36 -0.39 0.02 1.03 0.00 0.00 0.00 175.76 176.78 1pco s ARG 44 N -3.62 2.08 0.14 0.00 1.81 -1.26 -2.27 118.95 115.82 1pco s ARG 44 Ca 0.64 -2.28 -0.33 0.00 -1.72 0.00 0.00 55.73 52.05 1pco s ARG 44 Cb -0.14 -1.43 -0.12 0.00 -0.45 0.00 0.00 34.95 32.81 1pco s ARG 44 CO 0.26 -0.28 1.73 -1.91 -0.68 0.00 0.00 175.30 174.41 1pco n GLU 45 N -1.12 2.52 -2.03 3.54 2.13 -1.26 -1.97 120.64 122.44 1pco n GLU 45 Ca -0.13 0.91 -0.04 0.00 0.66 0.00 0.00 57.16 58.56 1pco n GLU 45 Cb 0.67 -2.75 -0.00 0.00 0.27 0.00 0.00 31.44 29.63 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 4.56 -1.96 -4.29 4.31 3.02 -0.61 -5.00 115.26 115.29 1pco n ASN 46 Ca 0.18 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.48 1pco n ASN 46 Cb 0.33 -1.30 -0.13 0.00 -0.61 0.00 0.00 39.78 38.07 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 -2.83 2.56 -0.59 6.41 0.15 -0.83 -4.93 113.70 113.63 1pco s SER 47 Ca 0.00 -0.68 -0.28 0.00 0.70 0.00 0.00 55.95 55.70 1pco s SER 47 Cb 0.00 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 1pco s SER 47 CO 0.00 0.07 1.33 -1.61 1.20 0.00 0.00 173.24 174.23 1pco s GLU 48 N -1.86 3.35 0.38 5.44 2.02 -1.26 -1.58 118.70 125.19 1pco s GLU 48 Ca 0.07 0.31 0.07 0.00 0.02 0.00 0.00 54.97 55.44 1pco s GLU 48 Cb -0.10 -4.10 -0.00 0.00 0.10 0.00 0.00 34.13 30.03 1pco s GLU 48 CO 0.04 -1.89 0.48 0.00 0.02 0.00 0.00 175.26 173.92 1pco n SER 50 N -1.69 0.00 0.00 0.00 2.88 -0.76 -0.76 113.62 113.29 1pco n SER 50 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1pco n SER 50 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1pco n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pco n ALA 51 N -2.28 0.47 -2.33 -1.46 0.00 -1.26 -4.02 120.51 109.63 1pco n ALA 51 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1pco n ALA 51 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1pco n ALA 51 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pco s PHE 52 N -0.55 1.68 0.01 0.00 -0.71 -1.26 -4.23 117.98 112.93 1pco s PHE 52 Ca 0.00 -1.53 -0.21 0.00 -1.04 0.00 0.00 56.93 54.14 1pco s PHE 52 Cb 0.00 -0.80 -0.05 0.00 -1.21 0.00 0.00 43.02 40.95 1pco s PHE 52 CO 0.00 -0.70 0.63 0.95 -1.34 0.00 0.00 175.22 174.77 1pco s THR 53 N -3.49 4.85 0.00 -4.49 -4.23 -1.26 -4.81 115.64 102.21 1pco s THR 53 Ca 0.37 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 62.21 1pco s THR 53 Cb 0.03 -3.97 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1pco s THR 53 CO 0.22 0.41 0.00 0.00 -0.54 0.00 0.00 174.62 174.72 1pco n LEU 54 N 2.67 0.00 -3.16 4.79 -0.00 -1.26 -5.06 117.00 114.99 1pco n LEU 54 Ca -0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.74 1pco n LEU 54 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.87 1pco n LEU 54 CO 0.44 0.00 -0.20 0.00 -0.00 0.00 0.00 177.39 177.63 1pco n TYR 55 N 0.00 -1.31 -3.03 1.47 9.36 -1.26 -5.13 117.16 117.27 1pco n TYR 55 Ca 0.00 -3.01 0.00 0.00 3.32 0.00 0.00 57.90 58.21 1pco n TYR 55 Cb 0.00 0.30 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 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 2.07 -1.46 3.77 2.98 0.00 -1.26 -4.88 105.19 106.41 1pco n GLY 56 Ca 0.22 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.84 3.89 -0.15 1.61 1.01 -1.26 -3.87 120.40 118.78 1pco s VAL 57 Ca 0.00 1.72 -0.00 0.00 0.00 0.00 0.00 61.98 63.70 1pco s VAL 57 Cb 0.00 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1pco s VAL 57 CO 0.00 0.28 -0.14 -0.31 0.00 0.00 0.00 175.10 174.93 1pco s TYR 58 N -1.38 2.80 0.24 5.22 2.02 0.14 -4.88 117.35 121.51 1pco s TYR 58 Ca 0.47 -0.91 -0.07 0.00 -0.37 0.00 0.00 57.07 56.20 1pco s TYR 58 Cb -0.25 -1.89 0.24 0.00 -0.40 0.00 0.00 41.96 39.66 1pco s TYR 58 CO 0.31 -0.39 1.90 1.88 -1.57 0.00 0.00 175.55 177.68 1pco h TYR 59 N 7.16 1.14 -2.91 2.71 0.05 -1.86 0.43 116.97 123.68 1pco h TYR 59 Ca -0.31 0.03 -0.37 0.00 0.05 0.00 0.00 58.73 58.13 1pco h TYR 59 Cb 1.20 -0.38 -0.38 0.00 1.01 0.00 0.00 36.73 38.17 1pco h TYR 59 CO 0.51 0.70 -0.68 0.15 -1.05 0.00 0.00 178.16 177.79 1pco s LYS 60 N -6.12 0.08 0.42 4.88 1.02 -1.26 -4.49 119.74 114.28 1pco s LYS 60 Ca -0.13 0.20 -0.24 0.00 0.02 0.00 0.00 55.97 55.83 1pco s LYS 60 Cb 0.17 -1.15 -0.11 0.00 -0.52 0.00 0.00 37.83 36.23 1pco s LYS 60 CO 0.80 -0.55 0.95 0.00 -0.92 0.00 0.00 175.35 175.64 1pco s PRO 62 N -1.99 -1.87 0.47 0.00 0.04 -1.26 -4.00 135.00 126.39 1pco s PRO 62 Ca 0.64 -0.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.32 1pco s PRO 62 Cb -0.56 -1.53 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1pco s PRO 62 CO 0.56 -4.12 1.06 0.00 0.04 0.00 0.00 177.00 174.54 1pco s GLU 64 N -3.07 -1.21 -0.20 0.00 4.04 -0.96 -4.84 118.70 112.47 1pco s GLU 64 Ca 0.66 0.06 -0.29 0.00 0.04 0.00 0.00 54.97 55.44 1pco s GLU 64 Cb -0.19 -1.59 -0.04 0.00 0.02 0.00 0.00 34.13 32.33 1pco s GLU 64 CO 0.23 -3.73 1.86 -0.98 -1.84 0.00 0.00 175.26 170.80 1pco s ARG 65 N -5.27 3.60 0.00 -4.83 1.04 -1.26 -2.72 118.95 109.51 1pco s ARG 65 Ca 0.70 1.87 0.00 0.00 -1.04 0.00 0.00 55.73 57.26 1pco s ARG 65 Cb -0.12 -4.17 0.00 0.00 -2.04 0.00 0.00 34.95 28.62 1pco s ARG 65 CO 0.57 -1.54 0.00 0.41 -0.04 0.00 0.00 175.30 174.70 1pco n GLY 66 N 5.05 3.03 3.92 3.88 0.00 -1.26 -5.12 105.19 114.68 1pco n GLY 66 Ca 0.22 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 4.31 0.13 0.99 1.02 -1.10 -4.55 118.68 119.47 1pco s LEU 67 Ca 0.00 0.35 0.07 0.00 0.02 0.00 0.00 54.13 54.56 1pco s LEU 67 Cb 0.00 -3.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.10 1pco s LEU 67 CO 0.00 0.08 -0.04 0.28 0.02 0.00 0.00 176.35 176.69 1pco s THR 68 N -1.65 3.65 -0.30 5.49 -1.32 0.15 -4.64 115.64 117.01 1pco s THR 68 Ca 0.37 -1.27 -0.20 0.00 -1.21 0.00 0.00 61.69 59.38 1pco s THR 68 Cb -0.12 -2.76 -0.01 0.00 -1.51 0.00 0.00 72.50 68.09 1pco s THR 68 CO 0.28 0.02 0.61 0.00 -2.21 0.00 0.00 174.62 173.32 1pco s GLU 70 N 2.56 3.39 -0.67 0.00 -6.30 -0.38 -4.86 118.70 112.44 1pco s GLU 70 Ca 0.24 -2.01 -0.27 0.00 -2.50 0.00 0.00 54.97 50.43 1pco s GLU 70 Cb -0.15 -4.46 -0.27 0.00 0.00 0.00 0.00 34.13 29.26 1pco s GLU 70 CO 0.11 -1.42 1.88 0.41 0.02 0.00 0.00 175.26 176.26 1pco n GLY 71 N 4.69 0.37 0.16 -1.50 0.00 -1.26 -2.15 105.19 105.50 1pco n GLY 71 Ca 0.06 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.57 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 14.08 0.39 0.00 1.61 8.00 -1.02 -4.91 116.55 134.69 1pco n ASP 72 Ca 0.45 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.94 1pco n ASP 72 Cb 0.44 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1pco n ASP 72 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pco n LYS 73 N -0.31 0.00 -3.37 -1.24 3.00 -0.31 -4.90 118.16 111.04 1pco n LYS 73 Ca 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.01 1pco n LYS 73 Cb 0.08 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.14 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 2.71 -6.02 -2.48 3.14 2.88 -1.25 -1.89 113.62 110.71 1pco n SER 74 Ca 0.00 0.01 -0.15 0.00 -1.33 0.00 0.00 58.87 57.40 1pco n SER 74 Cb 0.00 -2.36 -0.09 0.00 -0.75 0.00 0.00 64.21 61.00 1pco n SER 74 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1pco n LEU 75 N -0.12 4.74 -4.31 2.46 7.99 -1.26 -4.70 117.00 121.80 1pco n LEU 75 Ca -0.04 -2.82 -0.43 0.00 -0.01 0.00 0.00 56.01 52.70 1pco n LEU 75 Cb 0.63 -1.13 0.00 0.00 -0.11 0.00 0.00 43.42 42.81 1pco n LEU 75 CO 0.52 1.17 1.64 0.52 -1.51 0.00 0.00 177.39 179.72 1pco n VAL 76 N 3.04 4.22 0.00 4.08 0.31 -1.26 -3.51 118.33 125.22 1pco n VAL 76 Ca 0.41 -4.53 0.00 0.00 -0.01 0.00 0.00 64.34 60.21 1pco n VAL 76 Cb 0.52 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 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 3.92 0.08 5.00 2.92 0.00 -1.26 -5.07 105.19 110.78 1pco n GLY 77 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 0.00 -3.72 1.61 7.64 -1.23 -4.79 113.62 113.13 1pco n SER 78 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1pco n SER 78 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 1pco n SER 78 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1pco s ILE 79 N 0.00 -0.03 0.30 0.44 1.10 -1.26 -5.08 121.20 116.67 1pco s ILE 79 Ca 0.00 0.31 -0.03 0.00 -0.51 0.00 0.00 60.65 60.42 1pco s ILE 79 Cb 0.00 -0.17 -0.01 0.00 0.15 0.00 0.00 42.46 42.43 1pco s ILE 79 CO 0.00 0.16 0.39 0.28 -2.11 0.00 0.00 174.94 173.66 1pco s THR 80 N 1.71 0.00 -0.34 4.00 -1.32 -1.26 -4.14 115.64 114.29 1pco s THR 80 Ca -0.01 -1.69 0.08 0.00 -1.21 0.00 0.00 61.69 58.87 1pco s THR 80 Cb -0.12 -2.52 0.64 0.00 -1.51 0.00 0.00 72.50 68.98 1pco s THR 80 CO -0.03 0.00 1.71 0.59 -2.21 0.00 0.00 174.62 174.68 1pco n ASN 81 N -1.07 3.77 -1.05 8.08 3.02 -1.26 -5.03 115.26 121.72 1pco n ASN 81 Ca 0.02 -3.47 -0.00 0.00 -0.03 0.00 0.00 54.58 51.09 1pco n ASN 81 Cb 0.62 -0.73 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1pco n ASN 81 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1pco n THR 82 N -0.76 0.00 -4.24 3.41 5.66 -1.26 -5.16 114.28 111.92 1pco n THR 82 Ca 0.43 -0.05 -0.25 0.00 -3.05 0.00 0.00 64.05 61.13 1pco n THR 82 Cb 1.33 0.03 -0.17 0.00 -1.55 0.00 0.00 70.33 69.97 1pco n THR 82 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1pco s ASN 83 N -1.05 1.81 0.13 1.09 3.84 -1.26 -5.05 114.94 114.45 1pco s ASN 83 Ca 0.01 -0.27 0.01 0.00 0.21 0.00 0.00 52.86 52.82 1pco s ASN 83 Cb 0.00 -0.77 -0.04 0.00 -0.55 0.00 0.00 41.25 39.89 1pco s ASN 83 CO 0.01 -0.04 0.29 -0.36 -2.79 0.00 0.00 177.10 174.20 1pco s PHE 84 N 1.14 3.49 0.23 0.43 0.08 -0.79 -4.56 117.98 118.00 1pco s PHE 84 Ca -0.06 0.21 -0.15 0.00 0.12 0.00 0.00 56.93 57.06 1pco s PHE 84 Cb -0.14 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.57 1pco s PHE 84 CO -0.02 0.51 0.51 0.20 -0.10 0.00 0.00 175.22 176.32 1pco s GLY 85 N -2.98 0.27 -0.16 4.36 0.00 0.06 -1.16 107.32 107.72 1pco s GLY 85 Ca 0.36 -0.62 -0.11 0.00 0.00 0.00 0.00 44.72 44.34 1pco s GLY 85 CO 0.28 -0.47 0.22 -0.42 0.00 0.00 0.00 173.10 172.72 1pco s ILE 86 N -3.96 5.35 0.06 0.90 -1.09 -0.91 -0.49 121.20 121.05 1pco s ILE 86 Ca 0.17 0.39 -0.31 0.00 -2.23 0.00 0.00 60.65 58.67 1pco s ILE 86 Cb -0.01 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 37.25 1pco s ILE 86 CO 0.05 0.46 1.54 0.00 -1.23 0.00 0.00 174.94 175.76 1pco s HIS 88 N 2.33 0.32 -1.19 0.00 3.76 -0.34 -1.58 115.29 118.60 1pco s HIS 88 Ca 0.69 -0.78 -0.09 0.00 -0.15 0.00 0.00 55.06 54.73 1pco s HIS 88 Cb -0.37 -0.22 0.22 0.00 1.11 0.00 0.00 32.58 33.32 1pco s HIS 88 CO 0.30 -0.44 1.53 -1.71 -0.85 0.00 0.00 174.74 173.57 1pco n ASN 89 N 0.18 5.51 0.00 1.40 5.15 -1.26 -0.67 115.26 125.57 1pco n ASN 89 Ca -0.15 -3.13 0.00 0.00 -0.60 0.00 0.00 54.58 50.70 1pco n ASN 89 Cb 0.61 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1pco n ASN 89 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1pco n VAL 90 N 3.11 0.00 -2.20 3.44 3.14 -1.26 -5.03 118.33 119.52 1pco n VAL 90 Ca 0.33 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.70 1pco n VAL 90 Cb 0.38 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 1pco n VAL 90 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pco n GLY 91 N 1.12 -0.62 4.93 7.55 0.00 -1.26 -4.27 105.19 112.64 1pco n GLY 91 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1pco n GLY 91 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pco n ARG 92 N -1.46 0.00 0.00 1.61 1.85 -1.26 -5.08 116.66 112.32 1pco n ARG 92 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1pco n ARG 92 Cb 0.51 -0.37 0.00 0.00 -1.05 0.00 0.00 32.46 31.55 1pco n ARG 92 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05