#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yus n SER 2 N 0.00 -1.08 0.17 1.61 7.64 -1.26 -4.80 113.62 115.91 2yus n SER 2 Ca 0.00 -1.12 -0.14 0.00 1.01 0.00 0.00 58.87 58.62 2yus n SER 2 Cb 0.00 -1.42 -0.08 0.00 -1.01 0.00 0.00 64.21 61.70 2yus n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yus h SER 3 N -0.93 -0.31 0.00 6.43 0.02 -2.13 -3.48 113.55 113.15 2yus h SER 3 Ca -0.55 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2yus h SER 3 Cb 1.24 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2yus h SER 3 CO 0.77 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 2yus n GLY 4 N -1.23 -1.58 3.84 -3.77 0.00 -1.26 -5.02 105.19 96.17 2yus n GLY 4 Ca -0.10 0.57 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 2yus n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yus n SER 5 N 0.00 -3.77 -4.32 1.61 7.64 -1.26 -4.98 113.62 108.54 2yus n SER 5 Ca 0.00 -0.78 -0.28 0.00 1.01 0.00 0.00 58.87 58.82 2yus n SER 5 Cb 0.00 -3.97 -0.14 0.00 -1.01 0.00 0.00 64.21 59.09 2yus n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yus s SER 6 N -3.63 2.93 -0.01 6.43 0.15 -1.26 -5.11 113.70 113.21 2yus s SER 6 Ca 0.46 -0.61 -0.30 0.00 0.70 0.00 0.00 55.95 56.20 2yus s SER 6 Cb -0.23 -0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 63.80 2yus s SER 6 CO 0.82 0.20 1.31 -0.83 1.20 0.00 0.00 173.24 175.93 2yus s GLY 7 N -1.44 2.00 -0.04 9.45 0.00 -1.26 -4.88 107.32 111.14 2yus s GLY 7 Ca 0.10 0.79 0.07 0.00 0.00 0.00 0.00 44.72 45.68 2yus s GLY 7 CO 0.03 2.35 0.09 -0.37 0.00 0.00 0.00 173.10 175.20 2yus n THR 8 N 4.56 0.27 -1.55 0.90 5.66 -1.26 -5.00 114.28 117.86 2yus n THR 8 Ca 0.12 -0.25 -0.57 0.00 -3.05 0.00 0.00 64.05 60.31 2yus n THR 8 Cb 0.45 -0.30 -0.08 0.00 -1.55 0.00 0.00 70.33 68.84 2yus n THR 8 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2yus n LEU 9 N -2.04 1.93 -4.42 1.09 7.99 -1.26 -4.86 117.00 115.41 2yus n LEU 9 Ca -0.07 0.81 -0.44 0.00 -0.01 0.00 0.00 56.01 56.29 2yus n LEU 9 Cb 0.50 -1.11 -0.03 0.00 -0.11 0.00 0.00 43.42 42.66 2yus n LEU 9 CO 0.16 -0.61 0.77 0.00 -1.51 0.00 0.00 177.39 176.19 2yus s ALA 10 N 5.14 3.40 -0.10 -1.18 0.00 -1.26 -4.96 121.76 122.79 2yus s ALA 10 Ca 1.06 -2.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 2yus s ALA 10 Cb -1.12 -3.85 0.11 0.00 0.00 0.00 0.00 23.12 18.26 2yus s ALA 10 CO 0.62 -2.74 0.94 0.21 0.00 0.00 0.00 175.76 174.78 2yus s LYS 11 N 2.72 0.70 -0.61 0.00 2.20 -1.26 -5.05 119.74 118.44 2yus s LYS 11 Ca 0.25 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2yus s LYS 11 Cb -0.12 0.33 0.44 0.00 -1.51 0.00 0.00 37.83 36.97 2yus s LYS 11 CO -0.02 -0.25 1.83 0.43 -0.36 0.00 0.00 175.35 176.98 2yus n SER 12 N 0.44 7.01 -4.58 1.43 7.64 -1.26 -4.99 113.62 119.32 2yus n SER 12 Ca -0.10 -3.79 -0.40 0.00 1.01 0.00 0.00 58.87 55.59 2yus n SER 12 Cb 0.59 -0.84 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 2yus n SER 12 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2yus s LYS 13 N -3.81 2.68 0.44 1.43 2.20 -1.26 -4.69 119.74 116.74 2yus s LYS 13 Ca 0.60 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 2yus s LYS 13 Cb 0.48 -4.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 2yus s LYS 13 CO -0.06 -2.62 0.00 0.41 -0.36 0.00 0.00 175.35 172.72 2yus n GLY 14 N 5.83 -2.67 3.30 5.54 0.00 -1.26 -4.96 105.19 110.98 2yus n GLY 14 Ca 0.31 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.24 1.93 -0.92 4.61 0.00 -1.26 -5.07 121.76 117.81 2yus s ALA 15 Ca 0.00 -1.28 -0.24 0.00 0.00 0.00 0.00 51.96 50.44 2yus s ALA 15 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2yus s ALA 15 CO 0.00 0.40 1.77 0.45 0.00 0.00 0.00 175.76 178.39 2yus s SER 16 N -1.86 5.59 -0.08 0.00 0.15 -1.26 -4.91 113.70 111.33 2yus s SER 16 Ca 0.08 -0.85 -0.01 0.00 0.70 0.00 0.00 55.95 55.86 2yus s SER 16 Cb -0.10 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 2yus s SER 16 CO 0.04 -2.33 -0.00 0.00 1.20 0.00 0.00 173.24 172.16 2yus s ALA 17 N 8.37 0.74 0.00 5.45 0.00 -1.26 -4.97 121.76 130.08 2yus s ALA 17 Ca 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2yus s ALA 17 Cb -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2yus s ALA 17 CO -0.02 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2yus n GLY 18 N 5.14 0.46 3.67 0.00 0.00 -1.26 -5.13 105.19 108.07 2yus n GLY 18 Ca -0.07 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 2yus n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yus s ARG 19 N -0.86 2.41 0.10 1.61 3.52 -1.26 -4.98 118.95 119.49 2yus s ARG 19 Ca 0.00 -1.25 0.06 0.00 -0.13 0.00 0.00 55.73 54.41 2yus s ARG 19 Cb 0.00 -2.29 0.35 0.00 -1.56 0.00 0.00 34.95 31.45 2yus s ARG 19 CO 0.00 0.41 1.17 0.39 -0.81 0.00 0.00 175.30 176.45 2yus n GLU 20 N -0.61 0.04 -3.96 5.12 1.02 -1.26 -4.62 120.64 116.37 2yus n GLU 20 Ca -0.08 0.52 -0.09 0.00 -0.02 0.00 0.00 57.16 57.49 2yus n GLU 20 Cb 0.57 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 2yus n GLU 20 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2yus s TRP 21 N -3.12 0.35 0.26 -0.32 0.52 -1.26 -5.13 118.94 110.24 2yus s TRP 21 Ca -0.01 -0.79 0.04 0.00 0.02 0.00 0.00 56.10 55.36 2yus s TRP 21 Cb 0.02 -0.18 -0.06 0.00 -1.15 0.00 0.00 33.47 32.11 2yus s TRP 21 CO 0.06 -0.53 0.01 0.95 0.02 0.00 0.00 176.95 177.45 2yus s THR 22 N -3.91 1.13 0.26 2.01 -4.23 -1.26 -5.02 115.64 104.61 2yus s THR 22 Ca 0.09 -2.04 -0.02 0.00 -1.18 0.00 0.00 61.69 58.55 2yus s THR 22 Cb 0.06 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.65 2yus s THR 22 CO -0.08 -0.23 1.77 -0.08 -0.54 0.00 0.00 174.62 175.46 2yus h GLU 23 N 2.36 0.62 0.43 3.99 4.81 -2.00 0.11 114.58 124.90 2yus h GLU 23 Ca -0.39 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 2yus h GLU 23 Cb 1.23 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2yus h GLU 23 CO 0.66 0.41 -0.51 0.37 -0.73 0.00 0.00 179.01 179.21 2yus h GLN 24 N 0.64 -0.93 -0.01 1.92 4.15 -2.00 -1.82 115.11 117.06 2yus h GLN 24 Ca 0.45 0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.95 2yus h GLN 24 Cb 0.61 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 2yus h GLN 24 CO -0.35 -0.62 -0.08 0.93 -1.93 0.00 0.00 178.83 176.79 2yus h GLU 25 N -0.96 -0.13 -0.86 1.69 3.07 -1.86 -2.15 114.58 113.39 2yus h GLU 25 Ca -0.05 0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.00 2yus h GLU 25 Cb 0.86 0.03 -0.16 0.00 -0.84 0.00 0.00 28.75 28.64 2yus h GLU 25 CO -0.11 -0.08 -0.14 1.15 -1.40 0.00 0.00 179.01 178.43 2yus h THR 26 N -0.13 0.16 -0.53 1.13 2.02 -0.81 0.60 112.91 115.35 2yus h THR 26 Ca 0.04 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 2yus h THR 26 Cb 0.18 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 2yus h THR 26 CO -0.09 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.73 2yus h LEU 27 N 0.02 0.86 -0.66 2.58 3.38 -0.99 -2.87 115.31 117.63 2yus h LEU 27 Ca 0.44 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2yus h LEU 27 Cb 0.74 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2yus h LEU 27 CO -0.85 0.93 0.37 -0.07 0.09 0.00 0.00 178.44 178.90 2yus h LEU 28 N 0.83 0.83 -0.11 1.67 3.38 0.72 -1.17 115.31 121.46 2yus h LEU 28 Ca 0.16 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2yus h LEU 28 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2yus h LEU 28 CO 0.02 0.68 0.00 0.25 0.09 0.00 0.00 178.44 179.49 2yus h LEU 29 N 0.91 -0.04 0.19 1.67 5.85 -0.68 -2.31 115.31 120.90 2yus h LEU 29 Ca 0.23 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 2yus h LEU 29 Cb 0.04 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2yus h LEU 29 CO -0.04 -0.00 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.90 2yus h LEU 30 N 0.04 -0.21 -0.63 2.25 3.38 -1.31 0.20 115.31 119.03 2yus h LEU 30 Ca 0.05 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.12 2yus h LEU 30 Cb 0.06 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.74 2yus h LEU 30 CO -0.08 -0.13 -0.33 -0.08 0.09 0.00 0.00 178.44 177.91 2yus h GLU 31 N -0.28 -0.14 -0.40 1.13 4.22 -1.06 0.25 114.58 118.30 2yus h GLU 31 Ca -0.03 0.01 -0.14 0.00 0.08 0.00 0.00 59.36 59.29 2yus h GLU 31 Cb 0.21 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2yus h GLU 31 CO 0.04 -0.09 -0.29 0.00 -2.18 0.00 0.00 179.01 176.49 2yus h ALA 32 N 1.06 0.73 0.00 2.92 0.00 -1.29 -2.75 119.26 119.93 2yus h ALA 32 Ca 0.25 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2yus h ALA 32 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2yus h ALA 32 CO -0.71 0.66 0.36 -0.07 0.00 0.00 0.00 179.25 179.49 2yus h LEU 33 N 0.73 0.00 0.13 0.00 3.38 0.15 1.18 115.31 120.88 2yus h LEU 33 Ca 0.08 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.74 2yus h LEU 33 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2yus h LEU 33 CO 0.07 0.00 -1.61 -0.33 0.09 0.00 0.00 178.44 176.67 2yus h GLU 34 N 0.00 0.27 0.00 1.13 4.39 -1.12 -3.12 114.58 116.12 2yus h GLU 34 Ca 0.00 -0.46 -0.11 0.00 0.34 0.00 0.00 59.36 59.14 2yus h GLU 34 Cb 0.72 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 2yus h GLU 34 CO 0.00 1.22 -0.92 -1.33 -1.16 0.00 0.00 179.01 176.82 2yus n MET 35 N -3.79 0.50 -0.95 2.33 2.81 0.63 -4.36 117.12 114.30 2yus n MET 35 Ca -0.27 0.51 -0.20 0.00 -1.81 0.00 0.00 57.70 55.93 2yus n MET 35 Cb 0.96 -1.68 0.11 0.00 -0.71 0.00 0.00 33.22 31.90 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 -4.52 2.27 -0.07 2.03 4.01 0.38 -4.74 117.16 116.51 2yus n TYR 36 Ca -0.19 -1.75 -0.02 0.00 -0.16 0.00 0.00 57.90 55.78 2yus n TYR 36 Cb 0.46 -0.88 -0.02 0.00 -0.31 0.00 0.00 39.34 38.60 2yus n TYR 36 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2yus n LYS 37 N -0.58 -0.08 0.04 -0.72 4.81 -1.10 -2.35 118.16 118.18 2yus n LYS 37 Ca 0.44 0.85 -0.10 0.00 -0.87 0.00 0.00 58.31 58.63 2yus n LYS 37 Cb 1.16 -1.27 -0.08 0.00 0.02 0.00 0.00 35.03 34.86 2yus n LYS 37 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2yus h ASP 38 N 0.00 -0.16 -0.22 3.14 2.03 -1.86 -3.41 116.42 115.94 2yus h ASP 38 Ca 0.03 -0.38 -0.10 0.00 -0.73 0.00 0.00 57.03 55.85 2yus h ASP 38 Cb 0.07 0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 38.58 2yus h ASP 38 CO -0.16 0.42 0.61 0.47 -1.03 0.00 0.00 179.24 179.55 2yus n ASP 39 N -4.89 0.74 -0.01 4.15 8.00 -0.99 -4.71 116.55 118.84 2yus n ASP 39 Ca -0.07 -1.29 -0.17 0.00 0.71 0.00 0.00 54.79 53.97 2yus n ASP 39 Cb 0.26 -1.32 -0.11 0.00 -0.02 0.00 0.00 41.12 39.93 2yus n ASP 39 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2yus h TRP 40 N 12.04 0.45 -1.27 1.24 4.06 -1.80 -3.03 115.95 127.63 2yus h TRP 40 Ca 0.01 -0.25 0.41 0.00 2.06 0.00 0.00 58.89 61.12 2yus h TRP 40 Cb 1.04 -0.05 -0.12 0.00 -1.00 0.00 0.00 29.16 29.03 2yus h TRP 40 CO 1.23 1.08 0.82 -0.91 -3.56 0.00 0.00 178.44 177.09 2yus h ASN 41 N -0.31 0.27 0.05 -3.49 2.35 -1.94 0.26 115.58 112.78 2yus h ASN 41 Ca -0.06 0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 2yus h ASN 41 Cb 1.21 0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.70 2yus h ASN 41 CO 0.09 -0.15 -0.36 0.11 -1.65 0.00 0.00 177.43 175.48 2yus h LYS 42 N 0.13 0.15 -0.97 0.81 1.57 -1.93 -3.33 116.57 112.99 2yus h LYS 42 Ca 0.79 -0.23 0.30 0.00 -1.87 0.00 0.00 60.65 59.63 2yus h LYS 42 Cb 2.40 0.08 -0.18 0.00 0.08 0.00 0.00 32.23 34.62 2yus h LYS 42 CO -0.41 1.08 0.17 0.28 -0.57 0.00 0.00 179.45 180.00 2yus h VAL 43 N -0.66 0.06 -0.74 0.50 2.07 -0.38 0.66 116.25 117.77 2yus h VAL 43 Ca -0.06 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.59 2yus h VAL 43 Cb 1.25 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 2yus h VAL 43 CO 0.07 0.01 0.25 0.77 0.02 0.00 0.00 177.57 178.68 2yus h SER 44 N 0.04 0.17 0.10 0.57 4.64 -1.55 -1.78 113.55 115.74 2yus h SER 44 Ca 0.64 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 62.08 2yus h SER 44 Cb 1.42 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2yus h SER 44 CO -0.85 0.05 -0.05 -0.33 -0.87 0.00 0.00 176.83 174.78 2yus h GLU 45 N 0.37 -0.13 -0.89 4.77 5.08 0.15 -2.47 114.58 121.46 2yus h GLU 45 Ca 0.41 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.93 2yus h GLU 45 Cb 0.65 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.77 2yus h GLU 45 CO -0.44 0.12 -0.33 1.25 -1.00 0.00 0.00 179.01 178.61 2yus h HIS 46 N -0.36 -0.86 0.56 4.33 2.76 -0.85 -0.83 115.15 119.89 2yus h HIS 46 Ca -0.01 0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 2yus h HIS 46 Cb 0.30 0.51 0.01 0.00 1.55 0.00 0.00 27.41 29.78 2yus h HIS 46 CO 0.00 -0.40 -0.27 0.28 -1.30 0.00 0.00 177.93 176.25 2yus h VAL 47 N -0.03 0.43 0.00 5.26 2.07 -1.42 -3.48 116.25 119.08 2yus h VAL 47 Ca 0.35 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2yus h VAL 47 Cb 0.61 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2yus h VAL 47 CO -0.91 0.02 0.00 0.61 0.02 0.00 0.00 177.57 177.30 2yus n GLY 48 N -1.22 2.24 2.66 2.17 0.00 -0.32 -4.83 105.19 105.89 2yus n GLY 48 Ca -0.12 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 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 0.50 7.31 -3.69 1.61 7.64 -1.26 -4.87 113.62 120.86 2yus n SER 49 Ca 0.00 -3.81 -0.10 0.00 1.01 0.00 0.00 58.87 55.97 2yus n SER 49 Cb 0.00 -0.97 -0.10 0.00 -1.01 0.00 0.00 64.21 62.13 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 -3.94 0.44 0.93 1.43 1.81 -1.26 -5.14 118.95 113.21 2yus s ARG 50 Ca 0.56 0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 55.31 2yus s ARG 50 Cb 0.46 0.01 0.20 0.00 -0.45 0.00 0.00 34.95 35.18 2yus s ARG 50 CO -0.25 -0.16 1.26 0.95 -0.68 0.00 0.00 175.30 176.42 2yus s THR 51 N 1.48 2.00 0.06 0.02 -4.23 -1.26 -4.38 115.64 109.34 2yus s THR 51 Ca -0.09 -0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.95 2yus s THR 51 Cb -0.08 -2.83 -0.15 0.00 1.34 0.00 0.00 72.50 70.78 2yus s THR 51 CO -0.14 0.00 1.45 1.56 -0.54 0.00 0.00 174.62 176.96 2yus h GLN 52 N -1.45 -0.89 -0.33 3.99 7.50 -1.91 -2.52 115.11 119.51 2yus h GLN 52 Ca -0.41 0.06 0.03 0.00 0.50 0.00 0.00 58.65 58.83 2yus h GLN 52 Cb 1.23 0.20 -0.05 0.00 0.05 0.00 0.00 27.48 28.91 2yus h GLN 52 CO 0.33 -0.59 -0.27 -0.44 -1.50 0.00 0.00 178.83 176.36 2yus h ASP 53 N -0.92 -0.96 -0.92 1.46 3.32 -1.95 -1.05 116.42 115.40 2yus h ASP 53 Ca -0.07 0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.24 2yus h ASP 53 Cb 0.76 0.41 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 2yus h ASP 53 CO 0.03 -0.15 -0.42 -0.62 -1.72 0.00 0.00 179.24 176.36 2yus n GLU 54 N -4.02 -0.28 -0.25 3.56 -0.58 -1.21 0.77 120.64 118.63 2yus n GLU 54 Ca -0.00 1.41 0.05 0.00 -0.42 0.00 0.00 57.16 58.20 2yus n GLU 54 Cb 0.14 -2.09 0.16 0.00 -0.57 0.00 0.00 31.44 29.09 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 0.18 1.27 0.98 0.00 2.04 0.10 -1.73 117.51 120.36 2yus h ILE 56 Ca 0.40 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 2yus h ILE 56 Cb 0.70 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2yus h ILE 56 CO -0.57 0.43 -0.47 -0.07 0.00 0.00 0.00 178.15 177.47 2yus h LEU 57 N 0.70 -1.12 -0.86 1.44 4.07 0.20 -1.74 115.31 118.00 2yus h LEU 57 Ca 0.10 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.17 2yus h LEU 57 Cb 0.69 0.29 -0.06 0.00 1.08 0.00 0.00 40.66 42.66 2yus h LEU 57 CO 0.05 -0.79 0.53 -0.74 -1.08 0.00 0.00 178.44 176.42 2yus h HIS 58 N -1.35 0.98 0.20 1.13 2.76 -1.09 -2.79 115.15 114.99 2yus h HIS 58 Ca -0.14 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.08 2yus h HIS 58 Cb 1.01 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.62 2yus h HIS 58 CO -0.00 0.49 -0.41 0.35 -1.30 0.00 0.00 177.93 177.06 2yus h PHE 59 N 0.96 -1.15 -0.73 5.26 3.57 -1.19 -2.05 116.94 121.62 2yus h PHE 59 Ca 0.38 0.02 0.24 0.00 3.53 0.00 0.00 57.97 62.14 2yus h PHE 59 Cb 0.19 0.48 -0.13 0.00 2.79 0.00 0.00 35.95 39.28 2yus h PHE 59 CO -0.03 -0.53 0.14 1.28 -2.23 0.00 0.00 178.31 176.94 2yus n LEU 60 N -5.47 0.03 0.25 0.59 4.77 -0.67 -0.27 117.00 116.23 2yus n LEU 60 Ca -0.08 1.23 -0.10 0.00 -0.03 0.00 0.00 56.01 57.03 2yus n LEU 60 Cb 0.38 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2yus n LEU 60 CO 0.22 -1.29 0.50 0.03 -1.33 0.00 0.00 177.39 175.52 2yus h ARG 61 N 0.00 -0.61 -6.03 3.23 -0.00 -1.43 -3.44 114.38 106.10 2yus h ARG 61 Ca 0.50 0.04 -0.62 0.00 -0.50 0.00 0.00 59.98 59.41 2yus h ARG 61 Cb 1.15 0.14 0.16 0.00 0.00 0.00 0.00 29.97 31.43 2yus h ARG 61 CO -0.65 -0.41 -0.96 1.28 0.00 0.00 0.00 179.97 179.24 2yus n LEU 62 N -3.75 -2.84 0.00 3.04 4.77 0.63 -4.95 117.00 113.90 2yus n LEU 62 Ca -0.08 0.78 -0.09 0.00 -0.03 0.00 0.00 56.01 56.59 2yus n LEU 62 Cb 0.25 -0.89 0.08 0.00 -2.33 0.00 0.00 43.42 40.53 2yus n LEU 62 CO 0.19 -4.26 0.19 -0.81 -1.33 0.00 0.00 177.39 171.37 2yus n PRO 63 N 1.31 -1.68 -3.00 3.23 -0.04 -1.26 -4.98 135.00 128.57 2yus n PRO 63 Ca 0.10 -0.54 -0.38 0.00 -0.04 0.00 0.00 63.50 62.64 2yus n PRO 63 Cb 0.42 -0.51 -0.06 0.00 -0.04 0.00 0.00 33.50 33.31 2yus n PRO 63 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2yus s ILE 64 N -1.62 4.41 -0.46 0.52 -1.09 -1.26 -5.04 121.20 116.67 2yus s ILE 64 Ca 0.22 1.60 0.02 0.00 -2.23 0.00 0.00 60.65 60.27 2yus s ILE 64 Cb -0.02 -4.06 0.14 0.00 -1.58 0.00 0.00 42.46 36.94 2yus s ILE 64 CO 0.17 0.43 0.26 -0.70 -1.23 0.00 0.00 174.94 173.87 2yus s GLU 65 N -1.39 1.37 -0.10 2.79 2.12 -1.26 -5.09 118.70 117.14 2yus s GLU 65 Ca 0.38 -2.11 -0.11 0.00 0.36 0.00 0.00 54.97 53.49 2yus s GLU 65 Cb -0.21 -2.40 0.03 0.00 0.26 0.00 0.00 34.13 31.81 2yus s GLU 65 CO 0.25 -1.18 0.30 0.34 -0.54 0.00 0.00 175.26 174.43 2yus s ASP 66 N 0.21 -0.29 0.00 -1.70 -1.08 -1.26 -5.02 116.67 107.52 2yus s ASP 66 Ca 0.19 0.54 0.15 0.00 -0.52 0.00 0.00 52.55 52.90 2yus s ASP 66 Cb -0.22 0.58 0.69 0.00 -1.46 0.00 0.00 42.92 42.51 2yus s ASP 66 CO -0.02 -0.14 1.43 -0.81 0.52 0.00 0.00 175.17 176.15 2yus n PRO 67 N 2.72 0.11 -0.08 4.34 -0.04 -1.26 -3.30 135.00 137.50 2yus n PRO 67 Ca -0.14 0.19 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 2yus n PRO 67 Cb 0.58 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 2yus n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2yus n TYR 68 N -1.38 0.00 -3.51 0.54 4.01 -1.26 -5.02 117.16 110.53 2yus n TYR 68 Ca 0.05 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.55 2yus n TYR 68 Cb 0.14 -0.57 0.06 0.00 -0.31 0.00 0.00 39.34 38.65 2yus n TYR 68 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2yus n LEU 69 N -3.38 -2.98 -2.43 7.72 4.77 -1.21 -4.90 117.00 114.59 2yus n LEU 69 Ca -0.29 -0.52 -0.31 0.00 -0.03 0.00 0.00 56.01 54.86 2yus n LEU 69 Cb 0.75 -2.89 0.03 0.00 -2.33 0.00 0.00 43.42 38.98 2yus n LEU 69 CO 0.07 0.50 0.83 -0.62 -1.33 0.00 0.00 177.39 176.85 2yus n GLU 70 N -4.66 3.13 -3.33 3.23 1.02 -1.26 -5.02 120.64 113.74 2yus n GLU 70 Ca -0.01 -3.88 -0.33 0.00 -0.02 0.00 0.00 57.16 52.92 2yus n GLU 70 Cb 0.57 -2.27 -0.06 0.00 -0.02 0.00 0.00 31.44 29.66 2yus n GLU 70 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2yus s ASN 71 N -2.53 6.74 0.38 1.62 2.47 -1.26 -5.10 114.94 117.25 2yus s ASN 71 Ca 0.54 1.06 0.08 0.00 0.42 0.00 0.00 52.86 54.97 2yus s ASN 71 Cb 0.44 -2.28 -0.06 0.00 -1.45 0.00 0.00 41.25 37.89 2yus s ASN 71 CO -0.14 -0.04 0.02 -0.44 -3.72 0.00 0.00 177.10 172.78 2yus s SER 72 N -2.12 4.05 0.94 -4.21 0.01 -1.26 -5.14 113.70 105.97 2yus s SER 72 Ca 0.46 -1.16 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 2yus s SER 72 Cb -0.12 -0.45 0.15 0.00 0.21 0.00 0.00 66.02 65.81 2yus s SER 72 CO 0.20 -0.35 1.13 -0.62 0.41 0.00 0.00 173.24 174.00 2yus s ASP 73 N -3.73 3.25 -0.08 2.44 2.15 -1.26 -5.08 116.67 114.36 2yus s ASP 73 Ca 0.36 1.01 -0.03 0.00 0.43 0.00 0.00 52.55 54.31 2yus s ASP 73 Cb 0.04 -1.61 0.04 0.00 -0.30 0.00 0.00 42.92 41.10 2yus s ASP 73 CO 0.19 -2.72 0.17 -0.94 -0.17 0.00 0.00 175.17 171.70 2yus s SER 74 N -3.88 0.23 0.00 -0.34 1.04 -1.26 -5.05 113.70 104.43 2yus s SER 74 Ca 0.64 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.43 2yus s SER 74 Cb -0.16 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2yus s SER 74 CO 0.54 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2yus n GLY 75 N 4.71 -1.87 0.08 7.32 0.00 -1.26 -5.05 105.19 109.12 2yus n GLY 75 Ca -0.17 0.88 -0.13 0.00 0.00 0.00 0.00 46.02 46.60 2yus n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yus h PRO 76 N 0.00 0.13 -5.52 1.61 0.13 -2.07 -3.46 132.00 122.82 2yus h PRO 76 Ca 0.00 -0.07 -0.64 0.00 -0.87 0.00 0.00 66.00 64.43 2yus h PRO 76 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2yus h PRO 76 CO 0.00 0.58 -0.45 0.45 -0.23 0.00 0.00 178.00 178.35 2yus s SER 77 N -5.85 4.30 -0.10 1.44 0.15 -1.26 -5.09 113.70 107.29 2yus s SER 77 Ca -0.15 -1.46 -0.07 0.00 0.70 0.00 0.00 55.95 54.97 2yus s SER 77 Cb 0.03 0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 64.63 2yus s SER 77 CO 0.70 -0.88 -0.16 -0.24 1.20 0.00 0.00 173.24 173.86 2yus n SER 78 N -1.40 1.07 0.00 5.45 2.88 -1.26 -5.22 113.62 115.14 2yus n SER 78 Ca -0.11 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2yus n SER 78 Cb 0.66 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2yus n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42