#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 5.40 0.10 1.61 0.15 -1.26 -5.06 113.70 114.64 2yus s SER 2 Ca 0.00 -2.10 -0.02 0.00 0.70 0.00 0.00 55.95 54.52 2yus s SER 2 Cb 0.00 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 2yus s SER 2 CO 0.00 -0.57 0.06 -0.55 1.20 0.00 0.00 173.24 173.38 2yus s SER 3 N 1.95 0.33 0.31 5.45 0.15 -1.26 -5.13 113.70 115.50 2yus s SER 3 Ca 0.09 -1.05 -0.18 0.00 0.70 0.00 0.00 55.95 55.51 2yus s SER 3 Cb -0.23 0.28 -0.13 0.00 -1.71 0.00 0.00 66.02 64.23 2yus s SER 3 CO -0.03 -0.70 0.10 0.61 1.20 0.00 0.00 173.24 174.43 2yus n GLY 4 N -0.03 -2.12 3.69 9.45 0.00 -1.26 -4.97 105.19 109.96 2yus n GLY 4 Ca -0.10 0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.80 4.32 -0.12 1.61 1.04 -1.26 -5.14 113.70 113.35 2yus s SER 5 Ca 0.48 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 2yus s SER 5 Cb -0.54 -0.52 0.03 0.00 0.10 0.00 0.00 66.02 65.10 2yus s SER 5 CO 0.50 -0.41 -0.03 -0.44 0.98 0.00 0.00 173.24 173.84 2yus s SER 6 N -3.82 2.22 -0.22 7.02 0.01 -1.26 -5.12 113.70 112.53 2yus s SER 6 Ca 0.38 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 57.11 2yus s SER 6 Cb 0.03 -0.68 0.06 0.00 0.21 0.00 0.00 66.02 65.64 2yus s SER 6 CO 0.21 -0.19 0.55 -0.83 0.41 0.00 0.00 173.24 173.39 2yus s GLY 7 N 1.81 -0.45 -0.20 3.44 0.00 -1.26 -5.04 107.32 105.61 2yus s GLY 7 Ca 0.03 1.79 0.07 0.00 0.00 0.00 0.00 44.72 46.62 2yus s GLY 7 CO -0.07 1.75 -0.10 -0.37 0.00 0.00 0.00 173.10 174.31 2yus n THR 8 N 3.66 1.24 -3.18 0.90 5.66 -1.26 -4.81 114.28 116.49 2yus n THR 8 Ca -0.18 -0.58 -0.46 0.00 -3.05 0.00 0.00 64.05 59.78 2yus n THR 8 Cb 0.57 -1.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.31 2yus n THR 8 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2yus s LEU 9 N -5.91 5.92 0.03 1.09 2.96 -1.26 -4.92 118.68 116.59 2yus s LEU 9 Ca -0.22 -2.04 -0.31 0.00 -0.22 0.00 0.00 54.13 51.34 2yus s LEU 9 Cb 0.07 -2.27 -0.17 0.00 0.50 0.00 0.00 46.19 44.31 2yus s LEU 9 CO 0.59 -0.88 1.31 0.00 -1.32 0.00 0.00 176.35 176.05 2yus h ALA 10 N 8.59 -1.15 -2.69 5.97 0.00 -1.96 -3.46 119.26 124.57 2yus h ALA 10 Ca -0.07 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2yus h ALA 10 Cb 1.06 0.43 -0.27 0.00 0.00 0.00 0.00 17.79 19.02 2yus h ALA 10 CO 0.97 -1.07 -0.33 0.15 0.00 0.00 0.00 179.25 178.98 2yus s LYS 11 N -5.22 0.36 -0.05 0.00 -0.14 -1.26 -5.00 119.74 108.43 2yus s LYS 11 Ca -0.16 0.76 -0.02 0.00 -1.36 0.00 0.00 55.97 55.19 2yus s LYS 11 Cb 0.02 -0.03 -0.06 0.00 -1.68 0.00 0.00 37.83 36.08 2yus s LYS 11 CO 0.49 -0.16 2.57 0.45 -0.76 0.00 0.00 175.35 177.94 2yus n SER 12 N 4.30 5.48 -4.18 2.83 2.88 -1.26 -4.82 113.62 118.85 2yus n SER 12 Ca -0.23 -2.54 -0.12 0.00 -1.33 0.00 0.00 58.87 54.65 2yus n SER 12 Cb 0.55 -1.22 -0.10 0.00 -0.75 0.00 0.00 64.21 62.68 2yus n SER 12 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2yus s LYS 13 N 0.06 0.87 0.00 -1.46 2.47 -1.26 -5.17 119.74 115.25 2yus s LYS 13 Ca 0.28 -1.30 0.00 0.00 -1.56 0.00 0.00 55.97 53.39 2yus s LYS 13 Cb 0.15 -0.36 0.00 0.00 -1.46 0.00 0.00 37.83 36.16 2yus s LYS 13 CO -0.01 0.02 0.00 0.41 0.16 0.00 0.00 175.35 175.93 2yus n GLY 14 N 0.10 4.45 2.82 5.54 0.00 -1.26 -5.02 105.19 111.82 2yus n GLY 14 Ca -0.13 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.25 3.15 0.05 4.61 0.00 -1.26 -4.97 121.76 121.09 2yus s ALA 15 Ca 0.00 -3.34 -0.32 0.00 0.00 0.00 0.00 51.96 48.30 2yus s ALA 15 Cb 0.00 -2.06 -0.18 0.00 0.00 0.00 0.00 23.12 20.88 2yus s ALA 15 CO 0.00 -2.06 1.49 0.77 0.00 0.00 0.00 175.76 175.96 2yus h SER 16 N 5.91 -0.79 -3.28 0.00 0.02 -2.03 -3.43 113.55 109.95 2yus h SER 16 Ca 0.08 0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.54 2yus h SER 16 Cb 0.83 0.20 -0.36 0.00 0.14 0.00 0.00 62.40 63.22 2yus h SER 16 CO 0.63 -0.51 -0.79 0.00 -1.14 0.00 0.00 176.83 175.02 2yus s ALA 17 N -5.73 1.10 0.00 3.77 0.00 -1.26 -5.07 121.76 114.57 2yus s ALA 17 Ca -0.17 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2yus s ALA 17 Cb 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2yus s ALA 17 CO 0.58 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.49 2yus n GLY 18 N 4.62 0.69 3.47 0.00 0.00 -1.26 -4.93 105.19 107.78 2yus n GLY 18 Ca -0.15 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 2yus n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yus s ARG 19 N -5.26 3.20 0.33 1.61 3.00 -1.26 -4.87 118.95 115.70 2yus s ARG 19 Ca 0.00 -0.64 0.09 0.00 0.00 0.00 0.00 55.73 55.18 2yus s ARG 19 Cb 0.00 -4.11 -0.05 0.00 0.00 0.00 0.00 34.95 30.79 2yus s ARG 19 CO 0.00 -1.45 0.04 -1.21 0.00 0.00 0.00 175.30 172.67 2yus s GLU 20 N 3.43 2.17 -0.02 3.54 0.41 -1.26 -5.06 118.70 121.92 2yus s GLU 20 Ca 0.22 -1.65 -0.36 0.00 -0.41 0.00 0.00 54.97 52.77 2yus s GLU 20 Cb -0.16 -2.02 -0.18 0.00 -1.78 0.00 0.00 34.13 29.99 2yus s GLU 20 CO 0.14 0.17 0.98 0.91 -0.49 0.00 0.00 175.26 176.97 2yus n TRP 21 N -0.99 0.62 -3.70 1.61 7.02 -1.26 -4.93 117.44 115.82 2yus n TRP 21 Ca -0.04 0.96 -0.25 0.00 -1.02 0.00 0.00 57.50 57.14 2yus n TRP 21 Cb 0.61 -1.88 -0.02 0.00 -2.42 0.00 0.00 31.31 27.60 2yus n TRP 21 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2yus s THR 22 N 0.12 5.20 0.28 -0.99 -4.23 -1.26 -4.85 115.64 109.91 2yus s THR 22 Ca 0.82 -0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 60.75 2yus s THR 22 Cb -1.15 -3.79 0.42 0.00 1.34 0.00 0.00 72.50 69.32 2yus s THR 22 CO 0.52 -0.29 1.49 1.21 -0.54 0.00 0.00 174.62 177.02 2yus n GLU 23 N -1.07 -0.08 0.45 3.99 4.07 -1.26 -0.36 120.64 126.38 2yus n GLU 23 Ca -0.06 1.46 -0.20 0.00 -0.06 0.00 0.00 57.16 58.31 2yus n GLU 23 Cb 0.55 -2.25 -0.10 0.00 -0.06 0.00 0.00 31.44 29.58 2yus n GLU 23 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2yus h GLN 24 N 0.00 -1.19 -0.44 5.31 5.75 -2.00 -2.27 115.11 120.26 2yus h GLN 24 Ca 0.51 0.08 0.09 0.00 -0.15 0.00 0.00 58.65 59.19 2yus h GLN 24 Cb 0.93 0.27 -0.09 0.00 1.07 0.00 0.00 27.48 29.66 2yus h GLN 24 CO -0.95 -0.79 -0.14 0.93 -2.65 0.00 0.00 178.83 175.23 2yus h GLU 25 N -1.24 -0.03 -0.39 1.69 4.39 -1.25 -1.59 114.58 116.16 2yus h GLU 25 Ca -0.11 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.66 2yus h GLU 25 Cb 0.98 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.55 2yus h GLU 25 CO 0.13 -0.02 -0.43 1.15 -1.16 0.00 0.00 179.01 178.68 2yus h THR 26 N -0.03 0.12 -0.56 1.13 2.02 -0.59 0.25 112.91 115.25 2yus h THR 26 Ca 0.21 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.48 2yus h THR 26 Cb 0.36 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 66.82 2yus h THR 26 CO -0.48 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 175.55 2yus h LEU 27 N -0.33 0.21 -0.32 2.58 3.38 -0.79 -2.17 115.31 117.86 2yus h LEU 27 Ca 0.13 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2yus h LEU 27 Cb 0.58 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 2yus h LEU 27 CO -0.56 0.14 -0.01 -0.07 0.09 0.00 0.00 178.44 178.03 2yus h LEU 28 N 0.39 -0.14 -0.75 1.67 3.38 -0.21 -2.30 115.31 117.35 2yus h LEU 28 Ca 0.27 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.46 2yus h LEU 28 Cb 0.31 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.05 2yus h LEU 28 CO -0.27 -0.03 -0.25 0.25 0.09 0.00 0.00 178.44 178.22 2yus h LEU 29 N 0.09 -0.90 0.34 1.67 5.85 -0.34 -1.06 115.31 120.96 2yus h LEU 29 Ca 0.15 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 2yus h LEU 29 Cb 0.21 0.53 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 2yus h LEU 29 CO -0.26 -0.27 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.26 2yus h LEU 30 N -0.04 -0.59 -0.89 2.25 3.38 -1.33 0.28 115.31 118.36 2yus h LEU 30 Ca 0.34 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.49 2yus h LEU 30 Cb 0.57 0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.34 2yus h LEU 30 CO -0.79 -0.34 -0.30 1.21 0.09 0.00 0.00 178.44 178.31 2yus n GLU 31 N -3.73 -0.16 -0.16 1.13 4.07 -0.87 0.85 120.64 121.77 2yus n GLU 31 Ca -0.07 1.38 -0.09 0.00 -0.06 0.00 0.00 57.16 58.32 2yus n GLU 31 Cb 0.23 -2.05 0.00 0.00 -0.06 0.00 0.00 31.44 29.56 2yus n GLU 31 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2yus h ALA 32 N 1.44 0.61 0.00 4.31 0.00 -1.06 -2.18 119.26 122.37 2yus h ALA 32 Ca 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2yus h ALA 32 Cb 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2yus h ALA 32 CO -0.90 0.31 0.18 1.28 0.00 0.00 0.00 179.25 180.13 2yus n LEU 33 N -4.48 0.38 -0.03 0.00 4.77 0.25 0.11 117.00 118.00 2yus n LEU 33 Ca 0.01 0.61 -0.20 0.00 -0.03 0.00 0.00 56.01 56.40 2yus n LEU 33 Cb 0.23 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.58 2yus n LEU 33 CO 0.40 -0.74 -0.92 -0.62 -1.33 0.00 0.00 177.39 174.18 2yus n GLU 34 N -2.05 0.73 -0.08 3.23 -0.58 -0.68 -3.32 120.64 117.89 2yus n GLU 34 Ca -0.01 0.23 -0.10 0.00 -0.42 0.00 0.00 57.16 56.86 2yus n GLU 34 Cb 0.20 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.36 2yus n GLU 34 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2yus n MET 35 N -3.40 0.49 -1.03 3.49 2.81 0.18 -4.37 117.12 115.30 2yus n MET 35 Ca -0.34 0.53 -0.21 0.00 -1.81 0.00 0.00 57.70 55.87 2yus n MET 35 Cb 1.04 -1.70 0.14 0.00 -0.71 0.00 0.00 33.22 31.99 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 -4.55 2.53 0.00 2.03 4.02 0.30 -4.77 117.16 116.72 2yus n TYR 36 Ca -0.15 -1.75 0.00 0.00 -0.01 0.00 0.00 57.90 55.99 2yus n TYR 36 Cb 0.40 -0.88 0.00 0.00 -0.02 0.00 0.00 39.34 38.84 2yus n TYR 36 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2yus n LYS 37 N -0.79 0.00 0.14 -0.72 4.81 -1.07 -1.24 118.16 119.29 2yus n LYS 37 Ca 0.49 0.55 0.02 0.00 -0.87 0.00 0.00 58.31 58.50 2yus n LYS 37 Cb 1.35 -0.92 0.08 0.00 0.02 0.00 0.00 35.03 35.56 2yus n LYS 37 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2yus h ASP 38 N 0.00 0.00 0.00 3.14 1.82 -1.86 -3.33 116.42 116.19 2yus h ASP 38 Ca 0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.51 2yus h ASP 38 Cb 0.00 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 2yus h ASP 38 CO 0.00 0.54 -0.20 0.47 -1.61 0.00 0.00 179.24 178.44 2yus n ASP 39 N -3.30 4.39 -0.32 2.28 9.92 -0.37 -4.60 116.55 124.54 2yus n ASP 39 Ca 0.01 -2.29 0.16 0.00 -0.53 0.00 0.00 54.79 52.14 2yus n ASP 39 Cb 0.71 -1.14 0.32 0.00 -0.64 0.00 0.00 41.12 40.37 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 3.12 0.17 -0.89 1.24 4.06 -1.63 0.25 115.95 122.27 2yus h TRP 40 Ca 0.13 0.06 0.28 0.00 2.06 0.00 0.00 58.89 61.42 2yus h TRP 40 Cb 1.19 0.08 -0.16 0.00 -1.00 0.00 0.00 29.16 29.26 2yus h TRP 40 CO 1.40 -0.36 0.14 -1.71 -3.56 0.00 0.00 178.44 174.35 2yus n ASN 41 N -5.38 0.00 0.11 -3.49 5.15 -1.26 0.11 115.26 110.51 2yus n ASN 41 Ca 0.24 1.50 -0.23 0.00 -0.60 0.00 0.00 54.58 55.49 2yus n ASN 41 Cb 0.78 -0.59 -0.14 0.00 -0.53 0.00 0.00 39.78 39.30 2yus n ASN 41 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2yus h LYS 42 N 0.00 0.57 -0.97 1.20 1.79 -0.85 -3.34 116.57 114.97 2yus h LYS 42 Ca 0.59 -0.84 0.15 0.00 -2.18 0.00 0.00 60.65 58.37 2yus h LYS 42 Cb 1.34 0.29 -0.16 0.00 -1.58 0.00 0.00 32.23 32.13 2yus h LYS 42 CO -0.80 1.39 -0.38 0.28 -1.08 0.00 0.00 179.45 178.86 2yus n VAL 43 N -3.75 -0.51 -0.33 0.50 0.31 0.31 0.93 118.33 115.79 2yus n VAL 43 Ca -0.14 2.28 0.32 0.00 -0.01 0.00 0.00 64.34 66.79 2yus n VAL 43 Cb 1.03 -3.00 0.59 0.00 -0.91 0.00 0.00 33.84 31.55 2yus n VAL 43 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2yus n SER 44 N -5.42 0.33 0.12 4.52 3.41 -0.99 -1.14 113.62 114.44 2yus n SER 44 Ca 0.10 1.60 -0.05 0.00 -0.26 0.00 0.00 58.87 60.26 2yus n SER 44 Cb 0.39 -0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 63.53 2yus n SER 44 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2yus h GLU 45 N 0.00 -0.32 -0.89 4.33 4.39 0.34 -2.69 114.58 119.74 2yus h GLU 45 Ca 0.84 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.81 2yus h GLU 45 Cb 2.29 0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 30.84 2yus h GLU 45 CO -0.72 -0.21 0.02 1.58 -1.16 0.00 0.00 179.01 178.52 2yus n HIS 46 N -3.68 0.57 0.25 4.33 -0.00 -0.29 -0.94 115.22 115.46 2yus n HIS 46 Ca -0.04 1.07 -0.10 0.00 0.46 0.00 0.00 57.72 59.11 2yus n HIS 46 Cb 0.13 -1.17 -0.05 0.00 -0.12 0.00 0.00 29.99 28.78 2yus n HIS 46 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2yus h VAL 47 N 0.00 0.00 0.00 3.57 2.07 -1.29 -3.48 116.25 117.11 2yus h VAL 47 Ca 0.54 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 68.04 2yus h VAL 47 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2yus h VAL 47 CO -0.83 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.37 2yus n GLY 48 N -1.22 -0.37 2.13 2.17 0.00 -0.12 -4.91 105.19 102.87 2yus n GLY 48 Ca -0.08 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2yus n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yus n SER 49 N 0.00 4.78 -4.83 1.61 2.88 -1.26 -4.73 113.62 112.08 2yus n SER 49 Ca 0.00 -3.69 -0.29 0.00 -1.33 0.00 0.00 58.87 53.55 2yus n SER 49 Cb 0.00 -0.37 -0.04 0.00 -0.75 0.00 0.00 64.21 63.05 2yus n SER 49 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2yus s ARG 50 N -3.59 2.22 0.37 -1.46 1.81 -1.25 -5.16 118.95 111.89 2yus s ARG 50 Ca 0.50 -2.19 0.04 0.00 -1.72 0.00 0.00 55.73 52.36 2yus s ARG 50 Cb 0.41 -1.82 -0.06 0.00 -0.45 0.00 0.00 34.95 33.03 2yus s ARG 50 CO -0.00 -0.46 0.05 0.95 -0.68 0.00 0.00 175.30 175.16 2yus s THR 51 N -2.81 1.32 0.07 0.02 -4.23 -1.26 -4.64 115.64 104.11 2yus s THR 51 Ca 0.21 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.45 2yus s THR 51 Cb 0.00 -2.74 -0.12 0.00 1.34 0.00 0.00 72.50 70.97 2yus s THR 51 CO 0.13 0.00 1.42 1.56 -0.54 0.00 0.00 174.62 177.19 2yus h GLN 52 N 1.93 -0.67 0.10 3.99 4.20 -1.92 -0.74 115.11 121.99 2yus h GLN 52 Ca -0.41 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2yus h GLN 52 Cb 1.25 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 2yus h GLN 52 CO 0.71 -0.45 -0.28 0.22 -0.67 0.00 0.00 178.83 178.36 2yus h ASP 53 N -0.70 -0.84 -0.95 1.46 3.58 -1.97 -0.96 116.42 116.03 2yus h ASP 53 Ca -0.03 0.09 0.18 0.00 0.42 0.00 0.00 57.03 57.69 2yus h ASP 53 Cb 0.63 0.31 -0.18 0.00 1.72 0.00 0.00 39.33 41.81 2yus h ASP 53 CO -0.11 -0.31 -0.26 -0.62 -2.88 0.00 0.00 179.24 175.06 2yus n GLU 54 N -4.06 -0.11 -0.12 0.28 1.02 -1.20 0.74 120.64 117.18 2yus n GLU 54 Ca -0.05 1.48 -0.06 0.00 -0.02 0.00 0.00 57.16 58.51 2yus n GLU 54 Cb 0.23 -2.21 0.02 0.00 -0.02 0.00 0.00 31.44 29.46 2yus n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yus h ILE 56 N 0.39 1.07 0.71 0.00 2.04 0.17 -2.75 117.51 119.14 2yus h ILE 56 Ca 0.17 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2yus h ILE 56 Cb 0.09 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2yus h ILE 56 CO -0.13 0.10 -0.38 -0.07 0.00 0.00 0.00 178.15 177.68 2yus h LEU 57 N 0.57 -0.92 -0.98 1.44 3.38 -0.47 -2.36 115.31 115.97 2yus h LEU 57 Ca 0.18 0.04 0.33 0.00 0.09 0.00 0.00 57.88 58.52 2yus h LEU 57 Cb -0.02 0.25 -0.16 0.00 0.09 0.00 0.00 40.66 40.82 2yus h LEU 57 CO -0.07 -0.61 0.42 -0.74 0.09 0.00 0.00 178.44 177.53 2yus h HIS 58 N -1.00 0.64 0.81 1.13 2.76 -1.10 -0.16 115.15 118.23 2yus h HIS 58 Ca -0.09 0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 2yus h HIS 58 Cb 0.78 -0.12 0.01 0.00 1.55 0.00 0.00 27.41 29.63 2yus h HIS 58 CO -0.05 -0.32 -0.39 0.35 -1.30 0.00 0.00 177.93 176.21 2yus h PHE 59 N 0.15 -1.00 -0.98 5.26 3.57 -1.17 -2.71 116.94 120.05 2yus h PHE 59 Ca 0.72 -0.02 0.38 0.00 3.53 0.00 0.00 57.97 62.58 2yus h PHE 59 Cb 1.70 0.33 -0.18 0.00 2.79 0.00 0.00 35.95 40.59 2yus h PHE 59 CO -0.13 -0.61 0.42 1.28 -2.23 0.00 0.00 178.31 177.04 2yus n LEU 60 N -5.51 0.25 0.20 0.59 7.99 -0.11 0.19 117.00 120.60 2yus n LEU 60 Ca -0.14 1.63 -0.14 0.00 -0.01 0.00 0.00 56.01 57.35 2yus n LEU 60 Cb 0.43 -0.76 -0.08 0.00 -0.11 0.00 0.00 43.42 42.91 2yus n LEU 60 CO 0.34 -1.79 0.62 0.03 -1.51 0.00 0.00 177.39 175.08 2yus h ARG 61 N 0.00 -0.47 -4.76 3.23 3.08 -1.29 -3.45 114.38 110.71 2yus h ARG 61 Ca 0.78 0.03 -0.47 0.00 0.07 0.00 0.00 59.98 60.40 2yus h ARG 61 Cb 2.00 0.11 0.15 0.00 0.08 0.00 0.00 29.97 32.32 2yus h ARG 61 CO -0.79 -0.21 -1.05 1.28 -1.07 0.00 0.00 179.97 178.14 2yus n LEU 62 N -5.22 -3.36 0.00 3.04 4.77 0.13 -4.94 117.00 111.42 2yus n LEU 62 Ca -0.10 0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 56.27 2yus n LEU 62 Cb 0.26 -0.66 0.03 0.00 -2.33 0.00 0.00 43.42 40.72 2yus n LEU 62 CO 0.33 -4.04 0.08 -0.81 -1.33 0.00 0.00 177.39 171.62 2yus n PRO 63 N 1.38 -1.30 -0.07 3.23 -0.04 -1.26 -5.02 135.00 131.92 2yus n PRO 63 Ca 0.04 -0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.20 2yus n PRO 63 Cb 0.39 -0.21 -0.10 0.00 -0.04 0.00 0.00 33.50 33.54 2yus n PRO 63 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2yus n ILE 64 N -2.82 0.90 -4.15 0.52 -0.00 -1.26 -5.07 119.36 107.49 2yus n ILE 64 Ca 0.02 -0.50 -0.14 0.00 -0.00 0.00 0.00 62.75 62.13 2yus n ILE 64 Cb 0.08 -0.76 -0.07 0.00 -0.00 0.00 0.00 39.64 38.89 2yus n ILE 64 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2yus s GLU 65 N -2.32 1.63 -0.63 0.38 2.02 -1.26 -5.05 118.70 113.47 2yus s GLU 65 Ca -0.10 -1.70 -0.14 0.00 0.02 0.00 0.00 54.97 53.05 2yus s GLU 65 Cb 0.04 0.38 -0.17 0.00 0.10 0.00 0.00 34.13 34.48 2yus s GLU 65 CO 0.49 -0.63 1.58 -0.25 0.02 0.00 0.00 175.26 176.47 2yus n ASP 66 N -0.97 -0.25 0.19 -0.19 9.92 -1.26 -4.71 116.55 119.28 2yus n ASP 66 Ca 0.02 -0.07 0.05 0.00 -0.53 0.00 0.00 54.79 54.27 2yus n ASP 66 Cb 0.63 -0.49 0.38 0.00 -0.64 0.00 0.00 41.12 41.01 2yus n ASP 66 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2yus h PRO 67 N 7.37 0.00 -2.23 -0.24 0.13 -1.98 -3.28 132.00 131.78 2yus h PRO 67 Ca -0.01 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.52 2yus h PRO 67 Cb 0.79 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.50 2yus h PRO 67 CO 0.94 0.36 -0.60 2.48 -0.23 0.00 0.00 178.00 180.95 2yus n TYR 68 N -3.74 3.98 -3.34 1.56 4.11 -1.26 -4.97 117.16 113.50 2yus n TYR 68 Ca -0.01 -3.89 0.02 0.00 -0.00 0.00 0.00 57.90 54.02 2yus n TYR 68 Cb 0.45 -0.48 -0.03 0.00 -0.00 0.00 0.00 39.34 39.29 2yus n TYR 68 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 2yus s LEU 69 N -3.51 -1.00 0.31 -3.48 0.20 -1.24 -5.16 118.68 104.81 2yus s LEU 69 Ca 0.49 0.96 -0.12 0.00 0.69 0.00 0.00 54.13 56.15 2yus s LEU 69 Cb 0.29 1.97 -0.08 0.00 -0.43 0.00 0.00 46.19 47.94 2yus s LEU 69 CO -0.14 -0.19 0.68 -1.83 -0.29 0.00 0.00 176.35 174.58 2yus s GLU 70 N 2.80 3.88 -0.11 1.98 -1.05 -1.26 -4.91 118.70 120.03 2yus s GLU 70 Ca 0.05 0.48 0.02 0.00 -0.15 0.00 0.00 54.97 55.37 2yus s GLU 70 Cb -0.11 -2.49 0.01 0.00 -0.44 0.00 0.00 34.13 31.10 2yus s GLU 70 CO -0.18 0.16 -0.16 -0.80 0.95 0.00 0.00 175.26 175.23 2yus s ASN 71 N -2.54 2.49 -1.29 0.83 0.01 -1.26 -5.06 114.94 108.12 2yus s ASN 71 Ca 0.51 -0.44 -0.17 0.00 -0.71 0.00 0.00 52.86 52.05 2yus s ASN 71 Cb -0.10 -1.12 0.09 0.00 0.41 0.00 0.00 41.25 40.53 2yus s ASN 71 CO 0.22 0.03 1.72 -0.24 -1.51 0.00 0.00 177.10 177.31 2yus n SER 72 N 4.14 4.93 -4.37 -1.22 2.88 -1.26 -4.94 113.62 113.77 2yus n SER 72 Ca -0.19 -2.93 -0.27 0.00 -1.33 0.00 0.00 58.87 54.15 2yus n SER 72 Cb 0.51 -1.70 -0.12 0.00 -0.75 0.00 0.00 64.21 62.15 2yus n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2yus s ASP 73 N 3.81 3.14 0.88 -3.46 2.15 -1.26 -5.14 116.67 116.79 2yus s ASP 73 Ca 0.51 -0.78 -0.12 0.00 0.43 0.00 0.00 52.55 52.59 2yus s ASP 73 Cb 0.03 -0.21 0.12 0.00 -0.30 0.00 0.00 42.92 42.57 2yus s ASP 73 CO 0.05 0.12 1.10 -0.55 -0.17 0.00 0.00 175.17 175.72 2yus s SER 74 N -2.27 3.68 -0.30 -0.34 0.15 -1.26 -5.07 113.70 108.29 2yus s SER 74 Ca 0.15 1.32 -0.36 0.00 0.70 0.00 0.00 55.95 57.75 2yus s SER 74 Cb -0.09 -2.00 0.17 0.00 -1.71 0.00 0.00 66.02 62.39 2yus s SER 74 CO 0.07 -2.49 1.39 -0.83 1.20 0.00 0.00 173.24 172.58 2yus s GLY 75 N -3.66 -0.10 0.50 9.45 0.00 -1.26 -5.18 107.32 107.07 2yus s GLY 75 Ca 0.63 2.22 -0.08 0.00 0.00 0.00 0.00 44.72 47.48 2yus s GLY 75 CO 0.56 0.78 0.45 -1.55 0.00 0.00 0.00 173.10 173.33 2yus n PRO 76 N 0.14 -1.89 -3.88 2.90 -0.04 -1.26 -5.10 135.00 125.87 2yus n PRO 76 Ca 0.04 -0.71 -0.09 0.00 -0.04 0.00 0.00 63.50 62.70 2yus n PRO 76 Cb 0.57 -0.67 -0.08 0.00 -0.04 0.00 0.00 33.50 33.28 2yus n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yus s SER 77 N -2.71 0.14 -0.04 3.54 0.15 -1.26 -5.16 113.70 108.35 2yus s SER 77 Ca 0.29 -0.62 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 2yus s SER 77 Cb -0.03 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2yus s SER 77 CO 0.22 -0.68 0.04 -0.44 1.20 0.00 0.00 173.24 173.58 2yus s SER 78 N -2.68 1.04 0.00 5.45 0.01 -1.26 -5.39 113.70 110.87 2yus s SER 78 Ca 0.03 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2yus s SER 78 Cb 0.04 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2yus s SER 78 CO -0.09 -0.21 0.48 0.61 0.41 0.00 0.00 173.24 174.44