#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 -4.08 -4.85 1.61 7.64 -1.26 -4.95 113.62 107.73 2yus n SER 2 Ca 0.00 -0.78 -0.31 0.00 1.01 0.00 0.00 58.87 58.78 2yus n SER 2 Cb 0.00 -3.94 0.02 0.00 -1.01 0.00 0.00 64.21 59.28 2yus n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yus s SER 3 N -3.53 5.95 -0.69 6.43 0.01 -1.26 -4.99 113.70 115.62 2yus s SER 3 Ca 0.52 1.52 0.01 0.00 1.31 0.00 0.00 55.95 59.31 2yus s SER 3 Cb -0.26 -2.48 0.38 0.00 0.21 0.00 0.00 66.02 63.86 2yus s SER 3 CO 0.83 -1.06 1.65 0.61 0.41 0.00 0.00 173.24 175.68 2yus n GLY 4 N -2.32 5.73 0.27 3.44 0.00 -1.26 -4.81 105.19 106.24 2yus n GLY 4 Ca 0.07 -2.60 0.05 0.00 0.00 0.00 0.00 46.02 43.54 2yus n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yus h SER 5 N 2.85 -0.31 -1.77 1.61 0.02 -2.03 -3.41 113.55 110.52 2yus h SER 5 Ca 0.46 0.19 -0.66 0.00 -0.84 0.00 0.00 61.79 60.94 2yus h SER 5 Cb 0.39 0.32 0.09 0.00 0.14 0.00 0.00 62.40 63.34 2yus h SER 5 CO 1.19 -0.16 0.06 -0.24 -1.14 0.00 0.00 176.83 176.54 2yus n SER 6 N -5.32 0.67 -3.64 3.07 2.88 -1.26 -4.97 113.62 105.05 2yus n SER 6 Ca 0.13 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.72 2yus n SER 6 Cb 0.46 -1.15 -0.07 0.00 -0.75 0.00 0.00 64.21 62.71 2yus n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yus s GLY 7 N -0.32 -0.33 -0.21 0.46 0.00 -1.26 -5.16 107.32 100.49 2yus s GLY 7 Ca 0.70 2.46 -0.11 0.00 0.00 0.00 0.00 44.72 47.77 2yus s GLY 7 CO 0.55 1.95 0.51 -1.59 0.00 0.00 0.00 173.10 174.51 2yus s THR 8 N 0.56 -0.07 0.28 0.90 2.01 -1.26 -5.14 115.64 112.92 2yus s THR 8 Ca -0.01 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 2yus s THR 8 Cb -0.05 -0.75 -0.14 0.00 0.01 0.00 0.00 72.50 71.57 2yus s THR 8 CO -0.06 0.03 0.93 -0.11 -0.69 0.00 0.00 174.62 174.71 2yus n LEU 9 N 4.36 1.30 -4.11 4.42 0.00 -1.26 -4.96 117.00 116.75 2yus n LEU 9 Ca -0.21 1.17 -0.33 0.00 0.00 0.00 0.00 56.01 56.63 2yus n LEU 9 Cb 0.56 -1.23 -0.15 0.00 0.00 0.00 0.00 43.42 42.60 2yus n LEU 9 CO 0.04 -1.67 -0.43 0.00 0.00 0.00 0.00 177.39 175.33 2yus s ALA 10 N -1.06 2.63 -0.42 1.96 0.00 -1.26 -5.07 121.76 118.54 2yus s ALA 10 Ca 0.59 -1.70 -0.28 0.00 0.00 0.00 0.00 51.96 50.57 2yus s ALA 10 Cb -0.73 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2yus s ALA 10 CO 0.59 -1.13 1.53 0.15 0.00 0.00 0.00 175.76 176.91 2yus s LYS 11 N 1.18 3.43 -0.32 0.00 1.02 -1.26 -4.98 119.74 118.81 2yus s LYS 11 Ca -0.06 0.97 -0.12 0.00 0.02 0.00 0.00 55.97 56.78 2yus s LYS 11 Cb -0.19 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 32.99 2yus s LYS 11 CO -0.04 -1.75 0.21 -1.12 -0.92 0.00 0.00 175.35 171.72 2yus s SER 12 N 4.75 5.95 -0.05 2.83 0.01 -1.26 -5.06 113.70 120.87 2yus s SER 12 Ca 0.65 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.64 2yus s SER 12 Cb -0.15 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2yus s SER 12 CO 0.31 -0.17 -0.15 -0.54 0.41 0.00 0.00 173.24 173.10 2yus s LYS 13 N 1.72 1.70 0.00 12.44 3.01 -1.26 -4.88 119.74 132.47 2yus s LYS 13 Ca 0.06 -0.54 0.00 0.00 -1.01 0.00 0.00 55.97 54.48 2yus s LYS 13 Cb -0.17 -1.46 0.00 0.00 -1.01 0.00 0.00 37.83 35.19 2yus s LYS 13 CO 0.10 0.18 0.00 0.41 0.51 0.00 0.00 175.35 176.55 2yus n GLY 14 N 3.31 2.37 3.08 -3.33 0.00 -1.26 -4.93 105.19 104.44 2yus n GLY 14 Ca -0.19 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 2yus n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yus n ALA 15 N 0.00 -1.20 -1.67 4.61 0.00 -1.26 -4.84 120.51 116.15 2yus n ALA 15 Ca 0.00 0.21 -0.65 0.00 0.00 0.00 0.00 53.44 53.00 2yus n ALA 15 Cb 0.00 -3.75 -0.09 0.00 0.00 0.00 0.00 19.45 15.61 2yus n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yus n SER 16 N -2.24 0.86 -4.62 0.00 2.88 -1.26 -4.69 113.62 104.55 2yus n SER 16 Ca -0.06 1.18 -0.54 0.00 -1.33 0.00 0.00 58.87 58.12 2yus n SER 16 Cb 0.57 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 63.07 2yus n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yus n ALA 17 N 3.25 0.43 0.00 -1.46 0.00 -1.26 -4.16 120.51 117.30 2yus n ALA 17 Ca 0.27 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2yus n ALA 17 Cb -0.01 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.06 2yus n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yus n GLY 18 N 5.01 0.10 3.43 0.00 0.00 -1.26 -4.43 105.19 108.03 2yus n GLY 18 Ca 0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 1.76 -0.05 1.61 0.52 -1.26 -5.05 118.95 116.48 2yus s ARG 19 Ca 0.00 -2.03 0.12 0.00 -0.52 0.00 0.00 55.73 53.29 2yus s ARG 19 Cb 0.00 -0.44 0.34 0.00 0.52 0.00 0.00 34.95 35.37 2yus s ARG 19 CO 0.00 -0.43 1.28 0.39 0.02 0.00 0.00 175.30 176.56 2yus n GLU 20 N -0.75 2.87 -4.43 3.54 1.02 -1.26 -5.00 120.64 116.63 2yus n GLU 20 Ca -0.02 -2.22 -0.21 0.00 -0.02 0.00 0.00 57.16 54.69 2yus n GLU 20 Cb 0.65 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 30.57 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 -1.49 1.96 0.39 -0.32 0.52 -1.26 -5.13 118.94 113.62 2yus s TRP 21 Ca 0.26 -0.69 0.08 0.00 0.02 0.00 0.00 56.10 55.77 2yus s TRP 21 Cb 0.17 -1.11 -0.08 0.00 -1.15 0.00 0.00 33.47 31.31 2yus s TRP 21 CO 0.13 0.29 -0.01 0.95 0.02 0.00 0.00 176.95 178.32 2yus s THR 22 N -3.00 2.06 0.36 2.01 -4.23 -1.26 -4.95 115.64 106.63 2yus s THR 22 Ca 0.29 -2.04 0.12 0.00 -1.18 0.00 0.00 61.69 58.88 2yus s THR 22 Cb 0.03 -2.92 0.34 0.00 1.34 0.00 0.00 72.50 71.30 2yus s THR 22 CO 0.12 -0.05 1.79 -0.08 -0.54 0.00 0.00 174.62 175.86 2yus h GLU 23 N 1.82 0.55 0.20 3.99 4.57 -2.00 0.82 114.58 124.53 2yus h GLU 23 Ca -0.44 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2yus h GLU 23 Cb 1.24 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2yus h GLU 23 CO 0.78 0.37 -0.10 0.37 -1.18 0.00 0.00 179.01 179.25 2yus h GLN 24 N 0.57 -0.26 -0.40 1.92 4.15 -2.00 -2.68 115.11 116.41 2yus h GLN 24 Ca 0.57 0.02 0.08 0.00 0.77 0.00 0.00 58.65 60.08 2yus h GLN 24 Cb 1.16 0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.82 2yus h GLN 24 CO -0.33 -0.17 -0.34 0.93 -1.93 0.00 0.00 178.83 176.99 2yus h GLU 25 N -0.35 -0.26 -0.57 1.69 3.07 -1.85 -1.20 114.58 115.12 2yus h GLU 25 Ca -0.03 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 2yus h GLU 25 Cb 0.20 0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.09 2yus h GLU 25 CO 0.04 -0.17 -0.49 1.15 -1.40 0.00 0.00 179.01 178.15 2yus h THR 26 N -0.26 0.00 -0.26 1.13 2.02 -0.94 -0.25 112.91 114.35 2yus h THR 26 Ca 0.17 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.41 2yus h THR 26 Cb 0.55 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.89 2yus h THR 26 CO -0.55 0.00 -0.21 -0.07 0.37 0.00 0.00 175.52 175.06 2yus h LEU 27 N -0.19 -0.68 -0.70 2.58 3.38 -1.06 -1.77 115.31 116.86 2yus h LEU 27 Ca 0.09 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.34 2yus h LEU 27 Cb 0.44 0.33 -0.13 0.00 0.09 0.00 0.00 40.66 41.39 2yus h LEU 27 CO -0.64 -0.25 -0.12 -0.07 0.09 0.00 0.00 178.44 177.45 2yus h LEU 28 N -0.20 -0.55 -0.50 1.67 3.38 0.01 1.00 115.31 120.11 2yus h LEU 28 Ca 0.14 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.41 2yus h LEU 28 Cb 0.42 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 2yus h LEU 28 CO -0.38 -0.21 -0.01 0.25 0.09 0.00 0.00 178.44 178.18 2yus h LEU 29 N 0.03 -0.24 0.18 1.67 5.85 -0.20 -0.83 115.31 121.77 2yus h LEU 29 Ca 0.35 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 2yus h LEU 29 Cb 0.56 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2yus h LEU 29 CO -0.69 -0.08 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.17 2yus h LEU 30 N 0.10 -0.21 -0.64 2.25 3.38 -0.65 0.11 115.31 119.66 2yus h LEU 30 Ca 0.25 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.25 2yus h LEU 30 Cb 0.39 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.07 2yus h LEU 30 CO -0.43 -0.02 -0.11 -0.08 0.09 0.00 0.00 178.44 177.90 2yus h GLU 31 N -0.39 0.03 -0.02 1.13 4.57 -0.43 0.19 114.58 119.66 2yus h GLU 31 Ca -0.03 -0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 2yus h GLU 31 Cb 0.30 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2yus h GLU 31 CO 0.04 0.02 -0.58 0.00 -1.18 0.00 0.00 179.01 177.32 2yus h ALA 32 N 1.62 1.01 0.00 2.92 0.00 -1.06 -2.81 119.26 120.94 2yus h ALA 32 Ca 0.32 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2yus h ALA 32 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2yus h ALA 32 CO -0.62 0.72 0.00 1.28 0.00 0.00 0.00 179.25 180.62 2yus n LEU 33 N -3.86 0.15 -0.04 0.00 4.77 0.63 0.99 117.00 119.64 2yus n LEU 33 Ca -0.01 0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 56.41 2yus n LEU 33 Cb 0.58 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2yus n LEU 33 CO 0.42 -0.61 -0.80 -0.62 -1.33 0.00 0.00 177.39 174.45 2yus n GLU 34 N -1.70 0.67 -0.11 3.23 -0.58 -1.04 -3.53 120.64 117.59 2yus n GLU 34 Ca -0.00 0.21 -0.17 0.00 -0.42 0.00 0.00 57.16 56.78 2yus n GLU 34 Cb 0.02 -1.69 -0.06 0.00 -0.57 0.00 0.00 31.44 29.14 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 -3.10 0.55 -0.98 3.49 2.81 -0.27 -4.51 117.12 115.10 2yus n MET 35 Ca -0.26 0.27 -0.20 0.00 -1.81 0.00 0.00 57.70 55.69 2yus n MET 35 Cb 1.07 -1.49 0.12 0.00 -0.71 0.00 0.00 33.22 32.21 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 -4.40 2.36 -0.36 2.03 4.01 0.28 -4.70 117.16 116.38 2yus n TYR 36 Ca -0.29 -1.79 -0.08 0.00 -0.16 0.00 0.00 57.90 55.58 2yus n TYR 36 Cb 0.64 -0.90 -0.06 0.00 -0.31 0.00 0.00 39.34 38.71 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 -0.64 -0.35 -0.07 -0.72 2.85 -1.15 -2.26 118.16 115.82 2yus n LYS 37 Ca 0.46 1.34 -0.18 0.00 -1.05 0.00 0.00 58.31 58.88 2yus n LYS 37 Cb 1.19 -1.98 -0.13 0.00 -0.65 0.00 0.00 35.03 33.46 2yus n LYS 37 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2yus h ASP 38 N 0.00 0.06 -0.06 -5.58 3.04 -1.88 -3.41 116.42 108.58 2yus h ASP 38 Ca 0.18 -0.80 -0.12 0.00 -3.24 0.00 0.00 57.03 53.04 2yus h ASP 38 Cb 0.40 -0.02 0.03 0.00 -1.04 0.00 0.00 39.33 38.71 2yus h ASP 38 CO -0.84 1.25 0.33 0.47 -2.04 0.00 0.00 179.24 178.41 2yus n ASP 39 N -4.46 1.11 0.25 4.15 8.00 -0.96 -4.65 116.55 119.98 2yus n ASP 39 Ca -0.20 -2.43 0.08 0.00 0.71 0.00 0.00 54.79 52.95 2yus n ASP 39 Cb 0.61 -1.42 0.63 0.00 -0.02 0.00 0.00 41.12 40.92 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 11.19 0.02 -0.16 1.24 4.06 -1.81 -2.90 115.95 127.59 2yus h TRP 40 Ca 0.05 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.05 2yus h TRP 40 Cb 0.93 -0.01 -0.07 0.00 -1.00 0.00 0.00 29.16 29.02 2yus h TRP 40 CO 1.02 0.01 -0.48 -0.97 -3.56 0.00 0.00 178.44 174.47 2yus h ASN 41 N 0.02 -1.51 -0.60 -3.49 -1.24 -1.91 -1.69 115.58 105.16 2yus h ASN 41 Ca 0.00 0.19 0.01 0.00 0.71 0.00 0.00 56.30 57.22 2yus h ASN 41 Cb 0.01 0.61 -0.03 0.00 0.73 0.00 0.00 38.32 39.63 2yus h ASN 41 CO -0.00 -0.45 0.39 0.11 -1.29 0.00 0.00 177.43 176.19 2yus h LYS 42 N -0.52 0.76 -0.87 6.67 6.56 -1.88 -2.87 116.57 124.42 2yus h LYS 42 Ca 0.06 -0.05 0.15 0.00 -1.06 0.00 0.00 60.65 59.76 2yus h LYS 42 Cb 0.65 -0.17 -0.15 0.00 -0.57 0.00 0.00 32.23 31.99 2yus h LYS 42 CO -0.44 0.50 -0.33 0.28 -2.06 0.00 0.00 179.45 177.41 2yus h VAL 43 N 0.78 0.07 -0.98 0.50 2.07 -1.24 0.79 116.25 118.24 2yus h VAL 43 Ca 0.23 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.91 2yus h VAL 43 Cb -0.06 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 29.69 2yus h VAL 43 CO -0.06 0.00 0.61 0.77 0.02 0.00 0.00 177.57 178.91 2yus h SER 44 N -0.04 0.77 0.14 0.57 4.64 -1.21 -1.48 113.55 116.94 2yus h SER 44 Ca 0.34 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 2yus h SER 44 Cb 0.60 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2yus h SER 44 CO -0.90 0.33 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.00 2yus h GLU 45 N 0.78 -0.18 -0.78 4.77 5.08 0.39 -2.95 114.58 121.69 2yus h GLU 45 Ca 0.53 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 59.07 2yus h GLU 45 Cb 0.80 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.94 2yus h GLU 45 CO -0.30 0.28 -0.11 1.25 -1.00 0.00 0.00 179.01 179.12 2yus h HIS 46 N -0.83 -0.26 0.36 4.33 2.76 -0.09 -2.36 115.15 119.06 2yus h HIS 46 Ca -0.02 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 2yus h HIS 46 Cb 0.54 0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.74 2yus h HIS 46 CO 0.09 -0.31 -0.21 0.28 -1.30 0.00 0.00 177.93 176.49 2yus h VAL 47 N 0.03 0.00 0.00 5.26 2.07 -1.36 -3.49 116.25 118.76 2yus h VAL 47 Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 2yus h VAL 47 Cb 0.67 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2yus h VAL 47 CO -0.76 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.44 2yus n GLY 48 N -1.27 1.24 2.34 2.17 0.00 -0.89 -4.90 105.19 103.88 2yus n GLY 48 Ca -0.06 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2yus n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yus n SER 49 N 0.00 6.80 -4.27 1.61 3.41 -1.26 -4.84 113.62 115.07 2yus n SER 49 Ca 0.00 -3.78 -0.17 0.00 -0.26 0.00 0.00 58.87 54.66 2yus n SER 49 Cb 0.00 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.05 2yus n SER 49 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2yus s ARG 50 N -3.79 1.12 0.14 4.33 1.81 -1.26 -5.15 118.95 116.16 2yus s ARG 50 Ca 0.59 -1.42 0.08 0.00 -1.72 0.00 0.00 55.73 53.26 2yus s ARG 50 Cb 0.47 -0.85 -0.04 0.00 -0.45 0.00 0.00 34.95 34.08 2yus s ARG 50 CO -0.06 0.14 -0.10 0.95 -0.68 0.00 0.00 175.30 175.54 2yus s THR 51 N -2.85 3.23 0.17 0.02 -4.23 -1.26 -4.55 115.64 106.17 2yus s THR 51 Ca 0.16 -1.49 -0.29 0.00 -1.18 0.00 0.00 61.69 58.89 2yus s THR 51 Cb -0.01 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 2yus s THR 51 CO 0.03 -0.00 1.54 0.00 -0.54 0.00 0.00 174.62 175.64 2yus n GLN 52 N 0.36 -0.41 -0.13 3.99 3.00 -1.26 -0.36 117.38 122.58 2yus n GLN 52 Ca -0.12 1.51 -0.05 0.00 -0.01 0.00 0.00 57.00 58.32 2yus n GLN 52 Cb 0.54 -2.23 0.01 0.00 0.00 0.00 0.00 30.24 28.56 2yus n GLN 52 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2yus h ASP 53 N 0.00 -0.76 0.08 1.08 3.32 -1.96 -2.07 116.42 116.11 2yus h ASP 53 Ca 0.19 0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.41 2yus h ASP 53 Cb 0.44 0.40 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 2yus h ASP 53 CO -0.95 -0.25 -0.33 -0.33 -1.72 0.00 0.00 179.24 175.67 2yus h GLU 54 N -0.14 -0.45 -0.98 3.56 4.39 -1.10 -1.99 114.58 117.87 2yus h GLU 54 Ca 0.20 0.03 0.21 0.00 0.34 0.00 0.00 59.36 60.15 2yus h GLU 54 Cb 0.46 0.10 -0.18 0.00 -0.10 0.00 0.00 28.75 29.03 2yus h GLU 54 CO -0.51 -0.30 -0.17 0.00 -1.16 0.00 0.00 179.01 176.87 2yus h ILE 56 N 0.00 0.82 0.62 0.00 2.04 -0.74 -0.96 117.51 119.30 2yus h ILE 56 Ca 0.50 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 66.15 2yus h ILE 56 Cb 0.84 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2yus h ILE 56 CO -0.98 0.09 -0.30 -0.07 0.00 0.00 0.00 178.15 176.90 2yus h LEU 57 N 0.52 -0.71 -0.89 1.44 3.38 0.11 -2.31 115.31 116.84 2yus h LEU 57 Ca 0.32 -0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.51 2yus h LEU 57 Cb 0.36 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.15 2yus h LEU 57 CO -0.28 -0.37 0.34 -0.74 0.09 0.00 0.00 178.44 177.48 2yus h HIS 58 N -1.06 0.54 0.77 1.13 2.76 -0.88 -1.14 115.15 117.28 2yus h HIS 58 Ca -0.09 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 2yus h HIS 58 Cb 0.69 -0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.56 2yus h HIS 58 CO 0.00 -0.14 -0.37 0.35 -1.30 0.00 0.00 177.93 176.47 2yus h PHE 59 N 0.30 -0.96 -1.08 5.26 3.57 -1.09 -2.58 116.94 120.36 2yus h PHE 59 Ca 0.57 -0.02 0.33 0.00 3.53 0.00 0.00 57.97 62.38 2yus h PHE 59 Cb 1.14 0.32 -0.13 0.00 2.79 0.00 0.00 35.95 40.07 2yus h PHE 59 CO -0.18 -0.60 0.66 -0.07 -2.23 0.00 0.00 178.31 175.89 2yus h LEU 60 N -1.05 0.45 -0.46 0.59 3.38 -0.76 0.37 115.31 117.83 2yus h LEU 60 Ca -0.11 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2yus h LEU 60 Cb 0.79 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2yus h LEU 60 CO 0.17 -0.07 0.30 0.03 0.09 0.00 0.00 178.44 178.96 2yus h ARG 61 N 0.31 0.61 -4.59 1.13 3.08 -0.97 -3.44 114.38 110.51 2yus h ARG 61 Ca 0.71 -0.04 -0.48 0.00 0.07 0.00 0.00 59.98 60.23 2yus h ARG 61 Cb 1.80 -0.14 0.11 0.00 0.08 0.00 0.00 29.97 31.83 2yus h ARG 61 CO -0.47 0.42 -0.65 1.28 -1.07 0.00 0.00 179.97 179.48 2yus n LEU 62 N -4.75 -1.91 0.00 3.04 4.77 0.13 -4.93 117.00 113.35 2yus n LEU 62 Ca 0.02 0.68 -0.15 0.00 -0.03 0.00 0.00 56.01 56.53 2yus n LEU 62 Cb 0.03 -0.69 0.12 0.00 -2.33 0.00 0.00 43.42 40.56 2yus n LEU 62 CO 0.35 -3.00 0.30 -0.81 -1.33 0.00 0.00 177.39 172.90 2yus n PRO 63 N 0.96 -2.06 -4.05 3.23 -0.04 -1.26 -5.04 135.00 126.75 2yus n PRO 63 Ca 0.10 -0.85 -0.35 0.00 -0.04 0.00 0.00 63.50 62.36 2yus n PRO 63 Cb 0.28 -0.80 -0.09 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.96 4.84 -0.40 0.52 -1.09 -1.25 -5.06 121.20 116.80 2yus s ILE 64 Ca 0.35 -0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.45 2yus s ILE 64 Cb -0.03 -3.14 0.01 0.00 -1.58 0.00 0.00 42.46 37.72 2yus s ILE 64 CO 0.27 0.51 1.35 -1.61 -1.23 0.00 0.00 174.94 174.23 2yus s GLU 65 N -0.10 3.65 0.01 2.79 2.02 -1.26 -3.93 118.70 121.88 2yus s GLU 65 Ca 0.07 0.93 0.02 0.00 0.02 0.00 0.00 54.97 56.01 2yus s GLU 65 Cb -0.12 -3.98 -0.01 0.00 0.10 0.00 0.00 34.13 30.12 2yus s GLU 65 CO 0.01 -1.46 -0.07 -0.51 0.02 0.00 0.00 175.26 173.25 2yus s ASP 66 N 3.51 0.83 0.05 -0.19 1.01 -1.26 -4.99 116.67 115.63 2yus s ASP 66 Ca 0.58 -0.23 0.16 0.00 0.71 0.00 0.00 52.55 53.77 2yus s ASP 66 Cb -0.13 -0.06 0.68 0.00 1.01 0.00 0.00 42.92 44.42 2yus s ASP 66 CO 0.31 0.02 1.50 -0.81 0.21 0.00 0.00 175.17 176.40 2yus n PRO 67 N 2.55 0.04 0.01 8.23 -0.04 -1.26 -3.93 135.00 140.59 2yus n PRO 67 Ca -0.15 0.29 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2yus n PRO 67 Cb 0.57 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.64 0.00 -3.67 0.54 4.11 -1.26 -5.09 117.16 110.15 2yus n TYR 68 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.83 2yus n TYR 68 Cb 0.18 -0.13 -0.09 0.00 -0.00 0.00 0.00 39.34 39.30 2yus n TYR 68 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2yus s LEU 69 N -7.00 -0.45 0.09 -3.48 1.43 -1.25 -5.05 118.68 102.97 2yus s LEU 69 Ca -0.07 1.19 -0.14 0.00 -1.03 0.00 0.00 54.13 54.09 2yus s LEU 69 Cb 0.01 1.88 -0.17 0.00 0.03 0.00 0.00 46.19 47.94 2yus s LEU 69 CO 0.10 -0.21 1.27 1.05 0.23 0.00 0.00 176.35 178.79 2yus h GLU 70 N 6.69 0.75 -6.18 1.70 4.11 -1.79 -3.40 114.58 116.46 2yus h GLU 70 Ca -0.32 -0.65 -0.60 0.00 0.07 0.00 0.00 59.36 57.85 2yus h GLU 70 Cb 1.20 0.15 -0.26 0.00 0.50 0.00 0.00 28.75 30.33 2yus h GLU 70 CO 0.21 1.25 -0.85 -0.80 0.07 0.00 0.00 179.01 178.90 2yus s ASN 71 N -7.10 2.58 0.07 3.06 -0.87 -1.26 -3.81 114.94 107.61 2yus s ASN 71 Ca -0.11 -0.52 -0.06 0.00 -1.57 0.00 0.00 52.86 50.61 2yus s ASN 71 Cb 0.08 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.25 41.03 2yus s ASN 71 CO 0.90 0.19 0.32 -0.55 -2.57 0.00 0.00 177.10 175.39 2yus s SER 72 N -1.11 6.51 -1.56 -1.22 0.15 -1.26 -4.34 113.70 110.86 2yus s SER 72 Ca 0.08 0.58 -0.11 0.00 0.70 0.00 0.00 55.95 57.20 2yus s SER 72 Cb -0.09 -2.09 0.09 0.00 -1.71 0.00 0.00 66.02 62.22 2yus s SER 72 CO 0.02 0.16 0.71 0.47 1.20 0.00 0.00 173.24 175.80 2yus n ASP 73 N 0.63 -2.61 -4.70 5.45 8.00 -1.26 -4.83 116.55 117.23 2yus n ASP 73 Ca -0.07 -0.95 -0.43 0.00 0.71 0.00 0.00 54.79 54.05 2yus n ASP 73 Cb 0.52 -3.13 -0.03 0.00 -0.02 0.00 0.00 41.12 38.46 2yus n ASP 73 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2yus n SER 74 N -2.81 3.86 -0.01 -2.24 7.64 -1.26 -4.99 113.62 113.82 2yus n SER 74 Ca -0.07 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.84 2yus n SER 74 Cb 0.57 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2yus n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yus n GLY 75 N 4.03 5.43 3.66 0.23 0.00 -1.26 -5.07 105.19 112.21 2yus n GLY 75 Ca 0.17 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 1.80 4.20 -0.54 1.61 0.04 -1.26 -4.92 135.00 135.93 2yus s PRO 76 Ca 0.00 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.07 2yus s PRO 76 Cb 0.00 -3.91 0.42 0.00 0.04 0.00 0.00 34.50 31.05 2yus s PRO 76 CO 0.00 -0.80 1.50 -1.13 0.04 0.00 0.00 177.00 176.62 2yus n SER 77 N 6.94 5.94 -3.88 6.66 3.41 -1.26 -4.96 113.62 126.47 2yus n SER 77 Ca 0.16 -3.77 -0.26 0.00 -0.26 0.00 0.00 58.87 54.74 2yus n SER 77 Cb 0.43 -0.66 -0.17 0.00 -0.26 0.00 0.00 64.21 63.55 2yus n SER 77 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yus s SER 78 N -2.68 2.05 0.00 4.04 1.04 -1.26 -4.52 113.70 112.38 2yus s SER 78 Ca 0.52 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2yus s SER 78 Cb 0.43 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2yus s SER 78 CO -0.16 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.54