#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yus s SER 2 N 0.00 1.84 0.07 1.61 0.01 -1.26 -5.17 113.70 110.80 2yus s SER 2 Ca 0.00 -1.39 0.02 0.00 1.31 0.00 0.00 55.95 55.90 2yus s SER 2 Cb 0.00 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 2yus s SER 2 CO 0.00 -0.67 -0.08 -0.55 0.41 0.00 0.00 173.24 172.35 2yus s SER 3 N -3.41 1.09 0.00 2.44 0.15 -1.26 -5.13 113.70 107.59 2yus s SER 3 Ca 0.37 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2yus s SER 3 Cb 0.08 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2yus s SER 3 CO 0.15 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2yus n GLY 4 N 0.81 0.72 3.14 9.45 0.00 -1.26 -5.17 105.19 112.89 2yus n GLY 4 Ca -0.18 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 2yus n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yus s SER 5 N 0.00 -0.37 0.04 1.61 1.04 -1.26 -5.16 113.70 109.61 2yus s SER 5 Ca 0.00 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.07 2yus s SER 5 Cb 0.00 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 2yus s SER 5 CO 0.00 -0.18 0.26 -0.55 0.98 0.00 0.00 173.24 173.75 2yus s SER 6 N 1.32 6.44 0.00 7.02 0.15 -1.26 -5.09 113.70 122.28 2yus s SER 6 Ca -0.09 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2yus s SER 6 Cb -0.10 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2yus s SER 6 CO -0.10 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2yus n GLY 7 N 0.69 4.02 3.74 9.45 0.00 -1.26 -5.14 105.19 116.69 2yus n GLY 7 Ca -0.08 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 2yus n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yus s THR 8 N -2.06 4.03 0.08 2.61 -4.23 -1.26 -5.05 115.64 109.75 2yus s THR 8 Ca 0.00 1.76 0.04 0.00 -1.18 0.00 0.00 61.69 62.31 2yus s THR 8 Cb 0.00 -4.13 -0.03 0.00 1.34 0.00 0.00 72.50 69.68 2yus s THR 8 CO 0.00 0.31 -0.10 -1.48 -0.54 0.00 0.00 174.62 172.81 2yus s LEU 9 N -0.39 2.34 0.44 4.79 2.34 -1.26 -5.17 118.68 121.77 2yus s LEU 9 Ca 0.48 -0.71 0.07 0.00 0.06 0.00 0.00 54.13 54.03 2yus s LEU 9 Cb -0.28 -0.30 -0.02 0.00 -0.56 0.00 0.00 46.19 45.03 2yus s LEU 9 CO 0.34 -0.22 0.29 0.00 -1.06 0.00 0.00 176.35 175.70 2yus s ALA 10 N -1.97 3.92 -0.06 1.48 0.00 -1.26 -5.14 121.76 118.73 2yus s ALA 10 Ca 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.13 2yus s ALA 10 Cb -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 2yus s ALA 10 CO 0.00 -0.24 -0.11 0.21 0.00 0.00 0.00 175.76 175.63 2yus s LYS 11 N -4.05 2.61 0.08 0.00 2.36 -1.26 -5.11 119.74 114.37 2yus s LYS 11 Ca 0.42 -0.63 -0.07 0.00 -2.55 0.00 0.00 55.97 53.14 2yus s LYS 11 Cb 0.00 -2.48 -0.01 0.00 -1.05 0.00 0.00 37.83 34.30 2yus s LYS 11 CO 0.24 0.64 0.14 -1.54 1.55 0.00 0.00 175.35 176.38 2yus s SER 12 N -0.78 0.20 0.20 1.43 1.04 -1.26 -5.18 113.70 109.36 2yus s SER 12 Ca 0.12 -0.73 0.11 0.00 0.48 0.00 0.00 55.95 55.93 2yus s SER 12 Cb -0.11 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2yus s SER 12 CO 0.01 -0.70 -0.23 -0.54 0.98 0.00 0.00 173.24 172.76 2yus s LYS 13 N -3.88 1.51 0.00 4.02 1.02 -1.26 -5.12 119.74 116.03 2yus s LYS 13 Ca 0.06 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.50 2yus s LYS 13 Cb 0.06 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 2yus s LYS 13 CO -0.11 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 2yus n GLY 14 N 0.16 1.34 3.86 -3.33 0.00 -1.26 -5.16 105.19 100.79 2yus n GLY 14 Ca -0.12 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 2yus n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yus s ALA 15 N -1.00 3.15 -0.30 4.61 0.00 -1.26 -5.07 121.76 121.89 2yus s ALA 15 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 2yus s ALA 15 Cb 0.00 -3.00 0.19 0.00 0.00 0.00 0.00 23.12 20.32 2yus s ALA 15 CO 0.00 -0.27 0.64 0.45 0.00 0.00 0.00 175.76 176.58 2yus s SER 16 N -3.34 -1.37 -0.06 0.00 0.15 -1.26 -4.67 113.70 103.16 2yus s SER 16 Ca 0.56 0.62 -0.07 0.00 0.70 0.00 0.00 55.95 57.76 2yus s SER 16 Cb -0.10 2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 66.22 2yus s SER 16 CO 0.36 -0.25 0.32 0.00 1.20 0.00 0.00 173.24 174.87 2yus h ALA 17 N 7.98 -0.28 -5.11 5.45 0.00 -1.98 -3.50 119.26 121.82 2yus h ALA 17 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2yus h ALA 17 Cb 1.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2yus h ALA 17 CO 0.19 -0.26 -0.09 0.41 0.00 0.00 0.00 179.25 179.49 2yus n GLY 18 N 1.08 -1.17 0.00 0.00 0.00 -1.26 -4.86 105.19 98.99 2yus n GLY 18 Ca -0.03 0.55 0.08 0.00 0.00 0.00 0.00 46.02 46.62 2yus n GLY 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yus n ARG 19 N -1.40 0.65 0.00 1.61 0.00 -1.26 -2.33 116.66 113.93 2yus n ARG 19 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 2yus n ARG 19 Cb 0.48 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.55 2yus n ARG 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2yus n GLU 20 N -0.89 4.54 -4.31 -0.14 -0.58 -1.26 -5.06 120.64 112.94 2yus n GLU 20 Ca 0.12 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.69 2yus n GLU 20 Cb 0.06 -0.55 -0.10 0.00 -0.57 0.00 0.00 31.44 30.27 2yus n GLU 20 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2yus s TRP 21 N -1.07 1.56 0.22 -0.32 0.52 -0.98 -5.13 118.94 113.73 2yus s TRP 21 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 56.10 55.53 2yus s TRP 21 Cb 0.00 -0.75 -0.03 0.00 -1.15 0.00 0.00 33.47 31.54 2yus s TRP 21 CO 0.00 0.26 0.36 0.95 0.02 0.00 0.00 176.95 178.54 2yus s THR 22 N -2.97 5.26 0.32 2.01 -4.23 -1.26 -4.70 115.64 110.06 2yus s THR 22 Ca 0.19 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 60.02 2yus s THR 22 Cb -0.00 -3.81 0.31 0.00 1.34 0.00 0.00 72.50 70.34 2yus s THR 22 CO 0.05 -0.26 1.72 -0.33 -0.54 0.00 0.00 174.62 175.26 2yus h GLU 23 N 1.54 0.54 0.15 3.99 5.08 -1.92 0.24 114.58 124.19 2yus h GLU 23 Ca -0.50 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 2yus h GLU 23 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2yus h GLU 23 CO 0.64 0.36 -0.07 0.37 -1.00 0.00 0.00 179.01 179.31 2yus h GLN 24 N 0.55 -0.19 -0.27 2.33 5.75 -2.00 -2.80 115.11 118.48 2yus h GLN 24 Ca 0.65 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 59.23 2yus h GLN 24 Cb 1.25 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.77 2yus h GLN 24 CO -0.49 -0.13 -0.27 0.93 -2.65 0.00 0.00 178.83 176.22 2yus h GLU 25 N -0.22 -0.25 -0.29 1.69 5.08 -1.86 -2.19 114.58 116.53 2yus h GLU 25 Ca -0.02 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2yus h GLU 25 Cb 0.16 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2yus h GLU 25 CO 0.03 -0.17 -0.17 2.41 -1.00 0.00 0.00 179.01 180.11 2yus n THR 26 N -5.39 -0.20 0.03 1.13 -1.04 0.79 -1.37 114.28 108.24 2yus n THR 26 Ca -0.01 1.66 -0.14 0.00 -2.04 0.00 0.00 64.05 63.52 2yus n THR 26 Cb 0.31 -2.14 -0.08 0.00 -1.82 0.00 0.00 70.33 66.60 2yus n THR 26 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2yus h LEU 27 N 0.00 -1.43 -0.79 -4.42 3.38 -1.25 -1.92 115.31 108.88 2yus h LEU 27 Ca 0.05 0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.34 2yus h LEU 27 Cb 0.12 0.56 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 2yus h LEU 27 CO -0.28 -0.47 -0.22 0.18 0.09 0.00 0.00 178.44 177.74 2yus n LEU 28 N -5.45 -0.34 -0.13 1.67 4.77 -0.47 0.11 117.00 117.16 2yus n LEU 28 Ca -0.06 1.36 -0.05 0.00 -0.03 0.00 0.00 56.01 57.23 2yus n LEU 28 Cb 0.38 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2yus n LEU 28 CO 0.13 -1.28 0.74 0.25 -1.33 0.00 0.00 177.39 175.90 2yus h LEU 29 N 0.00 -0.59 0.50 2.23 5.85 -0.44 -2.15 115.31 120.71 2yus h LEU 29 Ca 0.35 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 2yus h LEU 29 Cb 0.55 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2yus h LEU 29 CO -0.80 -0.20 -0.45 -0.07 -0.34 0.00 0.00 178.44 176.57 2yus h LEU 30 N -0.08 -1.22 -0.98 2.25 -0.00 0.83 0.14 115.31 116.24 2yus h LEU 30 Ca 0.21 0.10 0.30 0.00 -0.00 0.00 0.00 57.88 58.49 2yus h LEU 30 Cb 0.40 0.40 -0.18 0.00 -0.00 0.00 0.00 40.66 41.28 2yus h LEU 30 CO -0.49 -0.63 0.18 -0.33 -0.00 0.00 0.00 178.44 177.17 2yus h GLU 31 N -0.95 0.03 -0.00 1.13 5.08 -0.92 1.40 114.58 120.35 2yus h GLU 31 Ca -0.06 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2yus h GLU 31 Cb 0.82 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2yus h GLU 31 CO -0.04 0.02 -0.77 0.00 -1.00 0.00 0.00 179.01 177.22 2yus h ALA 32 N 1.96 0.72 0.00 3.43 0.00 -0.88 -3.00 119.26 121.49 2yus h ALA 32 Ca 0.65 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2yus h ALA 32 Cb 1.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2yus h ALA 32 CO -0.85 0.94 0.00 1.28 0.00 0.00 0.00 179.25 180.62 2yus n LEU 33 N -3.64 0.00 -0.05 0.00 4.77 0.47 0.35 117.00 118.90 2yus n LEU 33 Ca -0.01 0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 56.38 2yus n LEU 33 Cb 0.74 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 41.23 2yus n LEU 33 CO 0.44 -0.36 -0.86 -0.62 -1.33 0.00 0.00 177.39 174.66 2yus n GLU 34 N -1.46 0.67 -0.11 3.23 1.02 -0.90 -3.48 120.64 119.60 2yus n GLU 34 Ca 0.02 0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 57.02 2yus n GLU 34 Cb 0.07 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 29.81 2yus n GLU 34 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2yus n MET 35 N -2.75 0.55 -1.29 3.49 2.81 -0.51 -4.57 117.12 114.86 2yus n MET 35 Ca -0.22 0.27 -0.27 0.00 -1.81 0.00 0.00 57.70 55.66 2yus n MET 35 Cb 1.01 -1.49 0.12 0.00 -0.71 0.00 0.00 33.22 32.15 2yus n MET 35 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2yus n TYR 36 N -4.37 2.92 -0.32 2.03 4.01 0.15 -4.78 117.16 116.80 2yus n TYR 36 Ca -0.33 -2.40 -0.07 0.00 -0.16 0.00 0.00 57.90 54.95 2yus n TYR 36 Cb 0.68 -1.09 -0.06 0.00 -0.31 0.00 0.00 39.34 38.56 2yus n TYR 36 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2yus n LYS 37 N -1.01 -0.31 0.02 -0.72 2.85 -1.19 -0.64 118.16 117.17 2yus n LYS 37 Ca 0.57 1.17 -0.01 0.00 -1.05 0.00 0.00 58.31 58.99 2yus n LYS 37 Cb 1.09 -1.72 -0.09 0.00 -0.65 0.00 0.00 35.03 33.66 2yus n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2yus n ASP 38 N -5.00 0.80 -2.10 -5.58 -0.08 -1.26 -4.31 116.55 99.03 2yus n ASP 38 Ca 0.03 0.35 -0.14 0.00 -1.51 0.00 0.00 54.79 53.52 2yus n ASP 38 Cb 0.22 0.23 -0.16 0.00 2.34 0.00 0.00 41.12 43.75 2yus n ASP 38 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2yus n ASP 39 N -2.88 5.50 -0.36 1.67 9.92 0.19 -4.63 116.55 125.96 2yus n ASP 39 Ca -0.11 -2.50 0.28 0.00 -0.53 0.00 0.00 54.79 51.93 2yus n ASP 39 Cb 0.87 -1.43 0.54 0.00 -0.64 0.00 0.00 41.12 40.46 2yus n ASP 39 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 2yus h TRP 40 N 3.14 0.80 -1.23 1.24 4.06 -1.70 0.14 115.95 122.39 2yus h TRP 40 Ca 0.24 0.03 0.41 0.00 2.06 0.00 0.00 58.89 61.63 2yus h TRP 40 Cb 1.42 -0.21 -0.11 0.00 -1.00 0.00 0.00 29.16 29.27 2yus h TRP 40 CO 1.79 -0.21 0.81 0.09 -3.56 0.00 0.00 178.44 177.36 2yus n ASN 41 N -4.97 0.14 -0.10 -3.49 4.13 -1.26 0.35 115.26 110.06 2yus n ASN 41 Ca 0.34 1.09 -0.21 0.00 1.68 0.00 0.00 54.58 57.48 2yus n ASN 41 Cb 1.13 -0.54 -0.12 0.00 -1.54 0.00 0.00 39.78 38.71 2yus n ASN 41 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2yus h LYS 42 N 0.00 0.01 -1.21 3.52 1.79 -1.07 -3.37 116.57 116.24 2yus h LYS 42 Ca 0.74 -0.02 0.38 0.00 -2.18 0.00 0.00 60.65 59.57 2yus h LYS 42 Cb 2.49 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 33.07 2yus h LYS 42 CO -0.32 1.01 0.83 0.28 -1.08 0.00 0.00 179.45 180.17 2yus n VAL 43 N -4.42 -0.10 0.01 0.50 0.31 0.15 0.20 118.33 114.99 2yus n VAL 43 Ca -0.30 1.21 -0.13 0.00 -0.01 0.00 0.00 64.34 65.11 2yus n VAL 43 Cb 0.68 -1.99 -0.09 0.00 -0.91 0.00 0.00 33.84 31.52 2yus n VAL 43 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2yus h SER 44 N 0.00 -0.02 -0.48 4.52 4.64 -1.61 -2.84 113.55 117.76 2yus h SER 44 Ca 0.66 -0.33 -0.12 0.00 -0.47 0.00 0.00 61.79 61.53 2yus h SER 44 Cb 2.39 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 64.47 2yus h SER 44 CO -0.18 0.33 -0.16 1.05 -0.87 0.00 0.00 176.83 176.99 2yus h GLU 45 N -0.37 0.98 -0.56 4.77 4.11 0.21 -3.02 114.58 120.71 2yus h GLU 45 Ca -0.00 -0.38 0.11 0.00 0.07 0.00 0.00 59.36 59.15 2yus h GLU 45 Cb 0.35 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 2yus h GLU 45 CO 0.00 1.06 0.06 1.25 0.07 0.00 0.00 179.01 181.45 2yus h HIS 46 N 0.86 0.08 0.30 2.06 2.76 -1.10 -3.02 115.15 117.10 2yus h HIS 46 Ca 0.12 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2yus h HIS 46 Cb 0.72 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2yus h HIS 46 CO 0.05 -0.08 -0.15 0.28 -1.30 0.00 0.00 177.93 176.73 2yus h VAL 47 N 0.18 0.00 0.00 5.26 2.07 -1.42 -3.49 116.25 118.84 2yus h VAL 47 Ca 0.29 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2yus h VAL 47 Cb 0.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2yus h VAL 47 CO -0.42 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.78 2yus n GLY 48 N -1.02 0.66 2.51 2.17 0.00 -1.14 -4.95 105.19 103.41 2yus n GLY 48 Ca -0.05 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 2yus n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yus n SER 49 N 0.00 4.06 -3.93 1.61 7.64 -1.26 -4.86 113.62 116.87 2yus n SER 49 Ca 0.00 -3.51 -0.19 0.00 1.01 0.00 0.00 58.87 56.17 2yus n SER 49 Cb 0.00 -0.47 -0.16 0.00 -1.01 0.00 0.00 64.21 62.57 2yus n SER 49 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yus s ARG 50 N -3.46 0.83 0.40 1.43 1.81 -1.26 -5.14 118.95 113.55 2yus s ARG 50 Ca 0.44 -0.18 -0.23 0.00 -1.72 0.00 0.00 55.73 54.04 2yus s ARG 50 Cb 0.41 -0.80 -0.10 0.00 -0.45 0.00 0.00 34.95 34.01 2yus s ARG 50 CO -0.14 0.00 0.97 -0.08 -0.68 0.00 0.00 175.30 175.38 2yus s THR 51 N 0.57 4.16 0.13 0.02 -1.32 -1.26 -4.44 115.64 113.51 2yus s THR 51 Ca -0.08 1.52 -0.26 0.00 -1.21 0.00 0.00 61.69 61.66 2yus s THR 51 Cb -0.11 -3.72 -0.06 0.00 -1.51 0.00 0.00 72.50 67.10 2yus s THR 51 CO 0.00 -0.12 1.37 1.67 -2.21 0.00 0.00 174.62 175.34 2yus n GLN 52 N -0.22 -0.37 -0.15 7.08 7.27 -1.26 -1.15 117.38 128.58 2yus n GLN 52 Ca 0.05 1.35 -0.08 0.00 0.07 0.00 0.00 57.00 58.39 2yus n GLN 52 Cb 0.52 -1.98 -0.06 0.00 2.41 0.00 0.00 30.24 31.12 2yus n GLN 52 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2yus h ASP 53 N 0.00 -1.27 -0.71 1.69 3.58 -1.94 -1.85 116.42 115.93 2yus h ASP 53 Ca 0.13 0.18 0.06 0.00 0.42 0.00 0.00 57.03 57.82 2yus h ASP 53 Cb 0.35 0.53 -0.08 0.00 1.72 0.00 0.00 39.33 41.84 2yus h ASP 53 CO -0.79 -0.22 -0.42 -0.62 -2.88 0.00 0.00 179.24 174.31 2yus n GLU 54 N -4.43 -0.31 -0.27 0.28 -0.58 -0.30 0.53 120.64 115.56 2yus n GLU 54 Ca -0.01 1.21 0.04 0.00 -0.42 0.00 0.00 57.16 57.98 2yus n GLU 54 Cb 0.20 -1.79 0.14 0.00 -0.57 0.00 0.00 31.44 29.42 2yus n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yus h ILE 56 N 0.05 0.99 0.19 0.00 2.04 0.66 -2.11 117.51 119.33 2yus h ILE 56 Ca 0.41 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2yus h ILE 56 Cb 0.69 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2yus h ILE 56 CO -0.75 0.16 -0.09 -0.07 0.00 0.00 0.00 178.15 177.40 2yus h LEU 57 N 0.87 -0.22 -1.50 1.44 3.38 0.87 -2.93 115.31 117.22 2yus h LEU 57 Ca 0.37 0.01 0.48 0.00 0.09 0.00 0.00 57.88 58.82 2yus h LEU 57 Cb 0.23 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.93 2yus h LEU 57 CO -0.20 -0.10 1.02 1.57 0.09 0.00 0.00 178.44 180.83 2yus n HIS 58 N -3.01 0.38 0.02 1.13 -0.00 0.06 0.12 115.22 113.93 2yus n HIS 58 Ca -0.03 0.38 -0.13 0.00 0.46 0.00 0.00 57.72 58.41 2yus n HIS 58 Cb 0.10 -0.82 -0.09 0.00 -0.12 0.00 0.00 29.99 29.06 2yus n HIS 58 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 2yus h PHE 59 N 0.00 -0.05 -1.03 1.57 3.57 -1.33 -3.03 116.94 116.65 2yus h PHE 59 Ca 0.84 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 62.61 2yus h PHE 59 Cb 2.98 0.02 -0.12 0.00 2.79 0.00 0.00 35.95 41.61 2yus h PHE 59 CO -0.00 0.28 0.62 -0.07 -2.23 0.00 0.00 178.31 176.91 2yus h LEU 60 N -0.38 0.57 0.07 0.59 3.38 0.12 -0.13 115.31 119.53 2yus h LEU 60 Ca -0.01 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2yus h LEU 60 Cb 0.35 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2yus h LEU 60 CO 0.01 0.03 -0.20 0.03 0.09 0.00 0.00 178.44 178.40 2yus h ARG 61 N 0.46 -0.35 -4.53 1.13 -0.00 -1.39 -3.44 114.38 106.26 2yus h ARG 61 Ca 0.67 0.02 -0.48 0.00 -0.50 0.00 0.00 59.98 59.69 2yus h ARG 61 Cb 1.46 0.08 0.11 0.00 0.00 0.00 0.00 29.97 31.62 2yus h ARG 61 CO -0.47 -0.23 -0.63 1.28 0.00 0.00 0.00 179.97 179.92 2yus n LEU 62 N -5.33 -1.83 -4.56 3.04 4.77 -0.06 -4.71 117.00 108.32 2yus n LEU 62 Ca -0.06 0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 56.21 2yus n LEU 62 Cb 0.24 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 2yus n LEU 62 CO 0.26 -2.92 1.58 -2.16 -1.33 0.00 0.00 177.39 172.82 2yus s PRO 63 N -0.75 2.77 0.22 3.23 0.04 -1.26 -4.97 135.00 134.28 2yus s PRO 63 Ca 0.46 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 2yus s PRO 63 Cb -0.54 -4.34 -0.09 0.00 0.04 0.00 0.00 34.50 29.56 2yus s PRO 63 CO 0.46 -2.56 1.25 -1.50 0.04 0.00 0.00 177.00 174.69 2yus s ILE 64 N 8.60 3.28 -0.04 0.56 2.07 -1.26 -4.92 121.20 129.49 2yus s ILE 64 Ca 0.69 1.12 -0.35 0.00 -1.41 0.00 0.00 60.65 60.69 2yus s ILE 64 Cb -0.14 -3.71 -0.14 0.00 0.13 0.00 0.00 42.46 38.60 2yus s ILE 64 CO 0.23 0.20 1.71 -1.84 -1.91 0.00 0.00 174.94 173.33 2yus n GLU 65 N 2.15 1.86 -3.56 3.50 0.28 -1.26 -4.93 120.64 118.68 2yus n GLU 65 Ca 0.04 0.68 -0.27 0.00 -0.16 0.00 0.00 57.16 57.44 2yus n GLU 65 Cb 0.43 -2.45 -0.11 0.00 1.43 0.00 0.00 31.44 30.74 2yus n GLU 65 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2yus s ASP 66 N 2.73 2.59 0.06 -1.84 2.15 -1.26 -4.94 116.67 116.15 2yus s ASP 66 Ca 0.89 -3.26 0.16 0.00 0.43 0.00 0.00 52.55 50.77 2yus s ASP 66 Cb -0.79 -0.82 0.69 0.00 -0.30 0.00 0.00 42.92 41.70 2yus s ASP 66 CO 0.50 -0.15 1.51 -0.81 -0.17 0.00 0.00 175.17 176.05 2yus n PRO 67 N 2.64 0.04 -2.29 4.34 -0.04 -1.26 -3.13 135.00 135.30 2yus n PRO 67 Ca 0.25 0.29 -0.31 0.00 -0.04 0.00 0.00 63.50 63.70 2yus n PRO 67 Cb 0.43 -1.58 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2yus n PRO 67 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2yus n TYR 68 N -1.66 3.27 -1.68 0.54 0.18 -1.26 -4.78 117.16 111.77 2yus n TYR 68 Ca 0.03 -2.86 -0.34 0.00 1.88 0.00 0.00 57.90 56.62 2yus n TYR 68 Cb 0.18 -0.43 0.05 0.00 -0.38 0.00 0.00 39.34 38.76 2yus n TYR 68 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 2yus n LEU 69 N -0.51 6.94 -3.72 -3.48 7.94 -1.18 -4.92 117.00 118.08 2yus n LEU 69 Ca 0.44 -4.57 -0.12 0.00 -1.11 0.00 0.00 56.01 50.64 2yus n LEU 69 Cb 0.53 -0.85 -0.13 0.00 0.53 0.00 0.00 43.42 43.51 2yus n LEU 69 CO 0.39 1.71 -0.10 -1.61 -1.11 0.00 0.00 177.39 176.68 2yus s GLU 70 N -3.82 0.23 -0.08 1.96 2.02 -1.26 -5.16 118.70 112.59 2yus s GLU 70 Ca 0.58 0.59 -0.25 0.00 0.02 0.00 0.00 54.97 55.91 2yus s GLU 70 Cb 0.47 -0.10 0.06 0.00 0.10 0.00 0.00 34.13 34.66 2yus s GLU 70 CO -0.11 -0.17 0.58 0.54 0.02 0.00 0.00 175.26 176.12 2yus s ASN 71 N 1.38 -0.55 -0.57 -0.19 2.20 -1.26 -5.09 114.94 110.86 2yus s ASN 71 Ca -0.08 0.68 -0.26 0.00 -0.94 0.00 0.00 52.86 52.26 2yus s ASN 71 Cb -0.10 0.64 -0.08 0.00 -2.00 0.00 0.00 41.25 39.71 2yus s ASN 71 CO -0.09 -0.49 2.33 -0.44 -2.94 0.00 0.00 177.10 175.47 2yus s SER 72 N -0.90 4.44 -0.16 3.54 0.01 -1.26 -4.88 113.70 114.48 2yus s SER 72 Ca -0.09 0.75 -0.04 0.00 1.31 0.00 0.00 55.95 57.87 2yus s SER 72 Cb -0.02 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.77 2yus s SER 72 CO 0.07 -3.01 0.17 -0.62 0.41 0.00 0.00 173.24 170.25 2yus s ASP 73 N 11.37 1.50 0.10 2.44 2.15 -1.26 -5.15 116.67 127.82 2yus s ASP 73 Ca 0.92 -0.20 0.01 0.00 0.43 0.00 0.00 52.55 53.72 2yus s ASP 73 Cb -0.15 0.18 -0.04 0.00 -0.30 0.00 0.00 42.92 42.60 2yus s ASP 73 CO 0.21 -0.31 0.22 -0.55 -0.17 0.00 0.00 175.17 174.57 2yus s SER 74 N 2.26 6.23 0.00 -0.34 0.15 -1.26 -5.09 113.70 115.65 2yus s SER 74 Ca 0.05 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2yus s SER 74 Cb -0.15 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2yus s SER 74 CO -0.10 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2yus n GLY 75 N -0.03 1.81 3.55 9.45 0.00 -1.26 -5.09 105.19 113.63 2yus n GLY 75 Ca -0.06 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2yus n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yus s PRO 76 N 0.82 2.60 -0.17 1.61 0.04 -1.26 -4.78 135.00 133.86 2yus s PRO 76 Ca 0.00 0.26 -0.10 0.00 0.04 0.00 0.00 61.00 61.21 2yus s PRO 76 Cb 0.00 -4.65 -0.22 0.00 0.04 0.00 0.00 34.50 29.66 2yus s PRO 76 CO 0.00 -2.99 0.21 0.45 0.04 0.00 0.00 177.00 174.71 2yus n SER 77 N 13.25 2.04 -4.92 6.66 2.88 -1.26 -4.94 113.62 127.32 2yus n SER 77 Ca 0.28 0.22 -0.30 0.00 -1.33 0.00 0.00 58.87 57.75 2yus n SER 77 Cb 0.50 -0.83 -0.04 0.00 -0.75 0.00 0.00 64.21 63.09 2yus n SER 77 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yus s SER 78 N -6.96 6.41 0.00 -3.46 0.15 -1.26 -5.34 113.70 103.23 2yus s SER 78 Ca -0.27 0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2yus s SER 78 Cb 0.07 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2yus s SER 78 CO 0.69 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.79