#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 2.97 -4.86 1.61 3.41 -1.26 -5.04 113.62 110.45 2yus n SER 2 Ca 0.00 -0.01 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 2yus n SER 2 Cb 0.00 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 2yus n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yus s SER 3 N -4.75 6.09 -0.17 4.04 0.01 -1.26 -5.10 113.70 112.56 2yus s SER 3 Ca -0.08 0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.36 2yus s SER 3 Cb 0.02 -1.83 0.08 0.00 0.21 0.00 0.00 66.02 64.50 2yus s SER 3 CO 0.13 0.23 0.33 -0.83 0.41 0.00 0.00 173.24 173.50 2yus s GLY 4 N -2.11 -0.22 -0.01 3.44 0.00 -1.26 -5.15 107.32 102.01 2yus s GLY 4 Ca 0.29 1.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.98 2yus s GLY 4 CO 0.21 2.21 0.22 -1.35 0.00 0.00 0.00 173.10 174.38 2yus s SER 5 N 2.49 -0.08 0.44 1.64 1.04 -1.26 -5.18 113.70 112.79 2yus s SER 5 Ca 0.02 -0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.46 2yus s SER 5 Cb -0.13 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 2yus s SER 5 CO -0.11 -0.40 0.12 -0.55 0.98 0.00 0.00 173.24 173.28 2yus s SER 6 N -1.31 4.23 0.00 7.02 0.15 -1.26 -5.13 113.70 117.40 2yus s SER 6 Ca -0.14 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.25 2yus s SER 6 Cb -0.06 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2yus s SER 6 CO 0.03 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2yus n GLY 7 N -1.20 1.07 3.93 9.45 0.00 -1.26 -5.17 105.19 112.01 2yus n GLY 7 Ca -0.05 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.67 2.29 -0.01 2.61 -4.23 -1.26 -5.11 115.64 108.27 2yus s THR 8 Ca 0.00 -0.25 -0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2yus s THR 8 Cb 0.00 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.84 2yus s THR 8 CO 0.00 -0.01 0.02 -0.76 -0.54 0.00 0.00 174.62 173.33 2yus s LEU 9 N -5.26 1.66 -0.67 4.79 1.02 -1.26 -5.11 118.68 113.85 2yus s LEU 9 Ca 0.60 0.03 -0.19 0.00 0.02 0.00 0.00 54.13 54.59 2yus s LEU 9 Cb -0.11 -0.00 0.11 0.00 0.02 0.00 0.00 46.19 46.21 2yus s LEU 9 CO 0.45 -0.05 0.81 0.00 0.02 0.00 0.00 176.35 177.58 2yus s ALA 10 N 0.38 3.43 -0.45 4.21 0.00 -1.26 -5.01 121.76 123.05 2yus s ALA 10 Ca -0.03 -2.36 -0.18 0.00 0.00 0.00 0.00 51.96 49.39 2yus s ALA 10 Cb -0.04 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.46 2yus s ALA 10 CO -0.01 -2.50 0.50 0.15 0.00 0.00 0.00 175.76 173.90 2yus s LYS 11 N 2.64 3.10 -1.11 0.00 1.02 -1.26 -5.00 119.74 119.14 2yus s LYS 11 Ca 0.17 -0.82 -0.11 0.00 0.02 0.00 0.00 55.97 55.22 2yus s LYS 11 Cb -0.19 -4.01 0.23 0.00 -0.52 0.00 0.00 37.83 33.34 2yus s LYS 11 CO 0.03 -0.97 1.19 -1.12 -0.92 0.00 0.00 175.35 173.55 2yus s SER 12 N 2.12 7.16 -0.29 2.83 0.01 -1.26 -4.93 113.70 119.34 2yus s SER 12 Ca 0.13 -3.25 -0.25 0.00 1.31 0.00 0.00 55.95 53.88 2yus s SER 12 Cb -0.18 -2.28 0.16 0.00 0.21 0.00 0.00 66.02 63.93 2yus s SER 12 CO 0.13 -0.50 1.25 -0.75 0.41 0.00 0.00 173.24 173.78 2yus s LYS 13 N -0.04 0.27 -0.87 12.44 2.20 -1.26 -5.09 119.74 127.39 2yus s LYS 13 Ca 0.34 0.31 0.01 0.00 -0.36 0.00 0.00 55.97 56.26 2yus s LYS 13 Cb -0.07 0.13 0.29 0.00 -1.51 0.00 0.00 37.83 36.66 2yus s LYS 13 CO -0.06 -0.03 1.16 0.41 -0.36 0.00 0.00 175.35 176.47 2yus n GLY 14 N 1.84 5.08 3.16 5.54 0.00 -1.26 -5.00 105.19 114.55 2yus n GLY 14 Ca -0.11 -2.72 -0.13 0.00 0.00 0.00 0.00 46.02 43.06 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 -2.76 -0.65 -0.13 4.61 0.00 -1.26 -5.01 121.76 116.57 2yus s ALA 15 Ca 0.36 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 2yus s ALA 15 Cb 0.11 -0.33 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 2yus s ALA 15 CO 0.04 -0.15 0.20 0.77 0.00 0.00 0.00 175.76 176.62 2yus h SER 16 N 5.37 0.00 0.00 0.00 0.02 -2.00 -3.44 113.55 113.50 2yus h SER 16 Ca -0.27 -0.32 -0.19 0.00 -0.84 0.00 0.00 61.79 60.17 2yus h SER 16 Cb 1.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 2yus h SER 16 CO 0.35 0.77 -1.54 0.00 -1.14 0.00 0.00 176.83 175.27 2yus n ALA 17 N -2.92 1.39 -3.55 3.77 0.00 -1.26 -5.09 120.51 112.85 2yus n ALA 17 Ca -0.07 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.46 2yus n ALA 17 Cb 0.23 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 2yus n ALA 17 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2yus s GLY 18 N -5.08 -0.39 1.00 0.00 0.00 -1.26 -5.16 107.32 96.44 2yus s GLY 18 Ca -0.28 1.67 -0.18 0.00 0.00 0.00 0.00 44.72 45.93 2yus s GLY 18 CO 0.38 0.90 -0.59 -2.13 0.00 0.00 0.00 173.10 171.66 2yus n ARG 19 N 0.63 -0.24 -3.39 2.90 0.63 -1.26 -4.99 116.66 110.95 2yus n ARG 19 Ca -0.13 -0.06 -0.20 0.00 -0.92 0.00 0.00 57.85 56.55 2yus n ARG 19 Cb 0.58 -1.27 -0.01 0.00 0.45 0.00 0.00 32.46 32.21 2yus n ARG 19 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2yus s GLU 20 N -2.53 2.57 1.13 -0.14 -1.05 -1.26 -5.12 118.70 112.30 2yus s GLU 20 Ca 0.45 -1.51 -0.16 0.00 -0.15 0.00 0.00 54.97 53.60 2yus s GLU 20 Cb -0.12 -2.48 0.25 0.00 -0.44 0.00 0.00 34.13 31.34 2yus s GLU 20 CO 0.74 -0.31 1.08 -1.58 0.95 0.00 0.00 175.26 176.15 2yus s TRP 21 N -2.48 1.17 0.18 4.83 0.52 -1.26 -5.08 118.94 116.81 2yus s TRP 21 Ca 0.50 0.75 0.02 0.00 0.02 0.00 0.00 56.10 57.39 2yus s TRP 21 Cb -0.05 -3.31 -0.05 0.00 -1.15 0.00 0.00 33.47 28.91 2yus s TRP 21 CO 0.30 -3.56 0.01 0.95 0.02 0.00 0.00 176.95 174.67 2yus s THR 22 N -2.90 0.65 0.18 2.01 -4.23 -1.26 -5.05 115.64 105.04 2yus s THR 22 Ca 0.68 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 59.08 2yus s THR 22 Cb -0.15 -2.17 0.08 0.00 1.34 0.00 0.00 72.50 71.59 2yus s THR 22 CO 0.58 -0.42 1.81 1.05 -0.54 0.00 0.00 174.62 177.10 2yus h GLU 23 N 2.66 0.60 -0.28 3.99 4.11 -2.01 -2.36 114.58 121.30 2yus h GLU 23 Ca -0.37 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.04 2yus h GLU 23 Cb 1.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2yus h GLU 23 CO 0.62 0.40 0.16 0.37 0.07 0.00 0.00 179.01 180.63 2yus h GLN 24 N 0.62 0.31 -0.69 1.06 5.75 -2.02 -2.57 115.11 117.57 2yus h GLN 24 Ca 0.22 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.80 2yus h GLN 24 Cb 0.04 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.44 2yus h GLN 24 CO -0.10 0.21 0.31 0.93 -2.65 0.00 0.00 178.83 177.52 2yus h GLU 25 N 0.32 0.50 -0.46 1.69 5.08 -1.88 -2.66 114.58 117.16 2yus h GLU 25 Ca 0.11 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2yus h GLU 25 Cb 0.01 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.07 2yus h GLU 25 CO -0.06 0.33 -0.54 1.15 -1.00 0.00 0.00 179.01 178.88 2yus h THR 26 N 0.52 0.00 -0.61 1.13 2.02 -1.01 -0.54 112.91 114.42 2yus h THR 26 Ca 0.35 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.66 2yus h THR 26 Cb 0.43 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.72 2yus h THR 26 CO -0.31 0.00 -0.17 -0.07 0.37 0.00 0.00 175.52 175.34 2yus h LEU 27 N -0.34 -0.63 -0.06 2.58 4.07 -1.48 -1.51 115.31 117.94 2yus h LEU 27 Ca 0.08 0.19 0.04 0.00 0.08 0.00 0.00 57.88 58.27 2yus h LEU 27 Cb 0.55 0.40 -0.06 0.00 1.08 0.00 0.00 40.66 42.63 2yus h LEU 27 CO -0.62 -0.22 -0.40 -0.07 -1.08 0.00 0.00 178.44 176.06 2yus h LEU 28 N -0.02 -1.22 -0.82 1.67 3.38 -1.04 -1.56 115.31 115.70 2yus h LEU 28 Ca 0.29 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.61 2yus h LEU 28 Cb 0.46 0.49 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 2yus h LEU 28 CO -0.64 -0.43 0.01 0.25 0.09 0.00 0.00 178.44 177.72 2yus h LEU 29 N -0.51 -0.38 0.20 1.67 5.85 -0.21 -0.30 115.31 121.63 2yus h LEU 29 Ca 0.07 0.22 0.01 0.00 0.84 0.00 0.00 57.88 59.01 2yus h LEU 29 Cb 0.62 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2yus h LEU 29 CO -0.35 -0.22 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.17 2yus h LEU 30 N 0.09 -0.84 -0.26 2.25 3.38 -0.85 0.18 115.31 119.26 2yus h LEU 30 Ca 0.46 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.55 2yus h LEU 30 Cb 0.84 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 2yus h LEU 30 CO -0.73 -0.41 -0.37 -0.08 0.09 0.00 0.00 178.44 176.94 2yus h GLU 31 N -0.57 -0.26 -0.83 1.13 4.57 -0.46 0.27 114.58 118.42 2yus h GLU 31 Ca 0.01 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.31 2yus h GLU 31 Cb 0.56 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.15 2yus h GLU 31 CO -0.12 -0.18 0.54 0.00 -1.18 0.00 0.00 179.01 178.07 2yus h ALA 32 N -0.48 1.73 -0.00 2.92 0.00 -1.32 0.13 119.26 122.23 2yus h ALA 32 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2yus h ALA 32 Cb 0.40 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2yus h ALA 32 CO -0.39 0.10 0.02 -0.07 0.00 0.00 0.00 179.25 178.90 2yus h LEU 33 N 0.77 0.00 0.08 0.00 3.38 0.14 1.33 115.31 121.01 2yus h LEU 33 Ca 0.38 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.03 2yus h LEU 33 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2yus h LEU 33 CO -0.15 0.00 -1.81 -0.33 0.09 0.00 0.00 178.44 176.24 2yus h GLU 34 N 0.00 0.17 0.00 1.13 5.08 0.21 -3.12 114.58 118.05 2yus h GLU 34 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2yus h GLU 34 Cb 0.04 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2yus h GLU 34 CO -0.00 0.95 -0.62 -1.33 -1.00 0.00 0.00 179.01 177.00 2yus n MET 35 N -3.33 0.46 -0.83 2.33 2.81 -0.54 -4.42 117.12 113.60 2yus n MET 35 Ca -0.24 0.43 -0.16 0.00 -1.81 0.00 0.00 57.70 55.92 2yus n MET 35 Cb 1.05 -1.59 0.11 0.00 -0.71 0.00 0.00 33.22 32.08 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 -4.50 2.04 -0.05 2.03 4.01 0.45 -4.72 117.16 116.42 2yus n TYR 36 Ca -0.09 -1.46 -0.01 0.00 -0.16 0.00 0.00 57.90 56.18 2yus n TYR 36 Cb 0.32 -0.74 -0.01 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 -0.56 -0.05 -0.03 -0.72 4.81 -0.95 -1.88 118.16 118.79 2yus n LYS 37 Ca 0.40 0.81 -0.14 0.00 -0.87 0.00 0.00 58.31 58.51 2yus n LYS 37 Cb 1.23 -1.20 -0.10 0.00 0.02 0.00 0.00 35.03 34.98 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 0.11 -0.09 3.14 2.03 -1.86 -3.38 116.42 116.37 2yus h ASP 38 Ca 0.02 -0.63 -0.39 0.00 -0.73 0.00 0.00 57.03 55.29 2yus h ASP 38 Cb 0.05 -0.03 0.06 0.00 -0.83 0.00 0.00 39.33 38.58 2yus h ASP 38 CO -0.11 0.72 1.10 0.47 -1.03 0.00 0.00 179.24 180.40 2yus n ASP 39 N -4.69 1.67 0.27 4.15 8.00 -0.79 -4.64 116.55 120.51 2yus n ASP 39 Ca -0.09 -2.56 0.12 0.00 0.71 0.00 0.00 54.79 52.97 2yus n ASP 39 Cb 0.36 -1.15 0.77 0.00 -0.02 0.00 0.00 41.12 41.08 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 10.06 0.00 -0.52 1.24 4.06 -1.74 -2.73 115.95 126.31 2yus h TRP 40 Ca 0.21 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.25 2yus h TRP 40 Cb 0.81 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.87 2yus h TRP 40 CO 1.07 0.00 -0.33 -2.95 -3.56 0.00 0.00 178.44 172.67 2yus h ASN 41 N 0.00 -1.13 0.26 -3.49 7.08 -1.89 -1.45 115.58 114.96 2yus h ASN 41 Ca 0.01 0.21 -0.24 0.00 -3.08 0.00 0.00 56.30 53.20 2yus h ASN 41 Cb 0.05 0.55 0.01 0.00 -2.08 0.00 0.00 38.32 36.85 2yus h ASN 41 CO -0.00 -0.31 -1.01 0.11 -2.08 0.00 0.00 177.43 174.15 2yus h LYS 42 N -0.19 0.49 -1.52 4.14 1.79 -1.85 -3.24 116.57 116.19 2yus h LYS 42 Ca 0.21 -0.55 0.46 0.00 -2.18 0.00 0.00 60.65 58.59 2yus h LYS 42 Cb 0.54 0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 31.26 2yus h LYS 42 CO -0.62 1.19 1.05 0.28 -1.08 0.00 0.00 179.45 180.26 2yus h VAL 43 N 0.27 0.14 0.22 0.50 2.07 -0.99 0.25 116.25 118.71 2yus h VAL 43 Ca -0.10 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2yus h VAL 43 Cb 1.65 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2yus h VAL 43 CO 0.18 0.01 -0.11 0.77 0.02 0.00 0.00 177.57 178.45 2yus h SER 44 N 0.05 -0.25 -0.82 0.57 4.64 -1.48 -3.26 113.55 112.99 2yus h SER 44 Ca 0.81 -0.09 0.16 0.00 -0.47 0.00 0.00 61.79 62.20 2yus h SER 44 Cb 2.90 0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 65.00 2yus h SER 44 CO -0.20 0.25 0.54 1.05 -0.87 0.00 0.00 176.83 177.60 2yus h GLU 45 N -1.05 0.47 -0.53 4.77 -0.00 -1.09 -1.17 114.58 115.98 2yus h GLU 45 Ca -0.03 -0.03 0.09 0.00 -0.00 0.00 0.00 59.36 59.39 2yus h GLU 45 Cb 0.33 -0.11 -0.07 0.00 -0.00 0.00 0.00 28.75 28.90 2yus h GLU 45 CO 0.05 0.31 0.14 1.25 -0.00 0.00 0.00 179.01 180.76 2yus h HIS 46 N 0.48 0.24 0.20 2.06 2.76 -0.69 -3.11 115.15 117.08 2yus h HIS 46 Ca 0.41 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.60 2yus h HIS 46 Cb 0.89 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2yus h HIS 46 CO -0.00 0.03 -0.10 0.28 -1.30 0.00 0.00 177.93 176.84 2yus h VAL 47 N 0.29 0.00 0.00 5.26 2.07 -1.26 -3.50 116.25 119.12 2yus h VAL 47 Ca 0.27 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2yus h VAL 47 Cb 0.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2yus h VAL 47 CO -0.32 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.88 2yus n GLY 48 N -0.94 -1.14 2.26 2.17 0.00 -1.16 -4.95 105.19 101.42 2yus n GLY 48 Ca -0.03 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 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 5.82 -4.31 1.61 7.64 -1.26 -4.81 113.62 118.30 2yus n SER 49 Ca 0.00 -3.76 -0.27 0.00 1.01 0.00 0.00 58.87 55.84 2yus n SER 49 Cb 0.00 -0.59 -0.14 0.00 -1.01 0.00 0.00 64.21 62.48 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 -3.69 1.48 0.53 1.43 1.81 -1.26 -5.14 118.95 114.10 2yus s ARG 50 Ca 0.54 -1.11 -0.04 0.00 -1.72 0.00 0.00 55.73 53.40 2yus s ARG 50 Cb 0.44 -1.72 -0.00 0.00 -0.45 0.00 0.00 34.95 33.21 2yus s ARG 50 CO -0.05 0.43 0.81 -0.08 -0.68 0.00 0.00 175.30 175.72 2yus s THR 51 N -0.91 3.97 0.08 0.02 -1.32 -1.26 -4.40 115.64 111.82 2yus s THR 51 Ca 0.10 -0.13 -0.32 0.00 -1.21 0.00 0.00 61.69 60.13 2yus s THR 51 Cb -0.10 -3.53 -0.15 0.00 -1.51 0.00 0.00 72.50 67.22 2yus s THR 51 CO 0.03 -0.48 1.49 -0.61 -2.21 0.00 0.00 174.62 172.84 2yus h GLN 52 N 0.08 -0.80 -0.37 7.08 4.15 -1.90 -2.80 115.11 120.55 2yus h GLN 52 Ca -0.46 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.05 2yus h GLN 52 Cb 1.25 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 29.07 2yus h GLN 52 CO 0.60 -0.53 -0.25 -0.44 -1.93 0.00 0.00 178.83 176.27 2yus h ASP 53 N -0.83 -0.91 -0.80 -0.69 3.32 -1.95 -0.74 116.42 113.82 2yus h ASP 53 Ca -0.04 0.13 0.10 0.00 0.02 0.00 0.00 57.03 57.24 2yus h ASP 53 Cb 0.75 0.39 -0.11 0.00 0.22 0.00 0.00 39.33 40.58 2yus h ASP 53 CO -0.12 -0.12 -0.39 -0.62 -1.72 0.00 0.00 179.24 176.27 2yus n GLU 54 N -3.94 -0.27 -0.21 3.56 -0.58 -1.17 0.82 120.64 118.84 2yus n GLU 54 Ca 0.00 1.22 -0.01 0.00 -0.42 0.00 0.00 57.16 57.96 2yus n GLU 54 Cb 0.12 -1.81 0.06 0.00 -0.57 0.00 0.00 31.44 29.24 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 -0.02 0.16 0.55 0.00 2.04 0.90 -0.97 117.51 120.17 2yus h ILE 56 Ca 0.30 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.13 2yus h ILE 56 Cb 0.48 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2yus h ILE 56 CO -0.66 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 177.16 2yus h LEU 57 N -0.53 -0.62 -1.16 1.44 -0.00 -0.77 -2.97 115.31 110.69 2yus h LEU 57 Ca 0.06 0.02 0.40 0.00 -0.00 0.00 0.00 57.88 58.36 2yus h LEU 57 Cb 0.64 0.16 -0.11 0.00 -0.00 0.00 0.00 40.66 41.34 2yus h LEU 57 CO -0.35 -0.37 0.75 1.57 -0.00 0.00 0.00 178.44 180.04 2yus n HIS 58 N -4.39 0.56 0.20 1.13 -0.00 0.17 -0.27 115.22 112.63 2yus n HIS 58 Ca -0.09 0.57 -0.08 0.00 0.46 0.00 0.00 57.72 58.58 2yus n HIS 58 Cb 0.29 -0.98 -0.04 0.00 -0.12 0.00 0.00 29.99 29.14 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 -0.49 -1.22 1.57 3.57 -1.01 -2.46 116.94 116.90 2yus h PHE 59 Ca 0.73 -0.01 0.35 0.00 3.53 0.00 0.00 57.97 62.57 2yus h PHE 59 Cb 2.39 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 41.21 2yus h PHE 59 CO -0.00 -0.30 0.84 -0.07 -2.23 0.00 0.00 178.31 176.54 2yus h LEU 60 N -0.63 0.19 -0.57 0.59 3.38 -0.54 0.55 115.31 118.29 2yus h LEU 60 Ca -0.05 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2yus h LEU 60 Cb 0.40 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2yus h LEU 60 CO 0.09 -0.00 0.02 0.03 0.09 0.00 0.00 178.44 178.67 2yus h ARG 61 N 0.15 0.99 -5.16 1.13 3.08 -1.20 -3.45 114.38 109.91 2yus h ARG 61 Ca 0.65 -0.30 -0.51 0.00 0.07 0.00 0.00 59.98 59.89 2yus h ARG 61 Cb 2.18 -0.10 0.16 0.00 0.08 0.00 0.00 29.97 32.30 2yus h ARG 61 CO -0.18 0.98 -1.08 1.28 -1.07 0.00 0.00 179.97 179.90 2yus n LEU 62 N -4.26 -3.43 -4.69 3.04 4.77 0.19 -4.79 117.00 107.83 2yus n LEU 62 Ca 0.02 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 2yus n LEU 62 Cb 0.32 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 2yus n LEU 62 CO 0.43 -4.26 1.14 -2.16 -1.33 0.00 0.00 177.39 171.21 2yus s PRO 63 N -0.98 4.27 0.26 3.23 0.04 -1.26 -5.02 135.00 135.54 2yus s PRO 63 Ca 0.47 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.45 2yus s PRO 63 Cb -0.39 -3.54 -0.07 0.00 0.04 0.00 0.00 34.50 30.54 2yus s PRO 63 CO 0.59 -0.58 0.57 0.96 0.04 0.00 0.00 177.00 178.58 2yus s ILE 64 N 2.30 4.93 -0.54 0.56 -4.36 -1.26 -4.94 121.20 117.90 2yus s ILE 64 Ca 0.65 0.40 -0.40 0.00 -0.26 0.00 0.00 60.65 61.05 2yus s ILE 64 Cb -0.33 -3.65 -0.18 0.00 1.25 0.00 0.00 42.46 39.55 2yus s ILE 64 CO 0.28 -0.16 2.10 1.21 0.24 0.00 0.00 174.94 178.60 2yus n GLU 65 N -0.40 0.00 -3.85 0.37 2.13 -1.26 -4.86 120.64 112.77 2yus n GLU 65 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 2yus n GLU 65 Cb 0.53 -1.42 -0.12 0.00 0.27 0.00 0.00 31.44 30.70 2yus n GLU 65 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2yus s ASP 66 N 6.06 4.50 0.00 4.31 1.01 -1.26 -4.91 116.67 126.38 2yus s ASP 66 Ca 1.16 -3.76 0.12 0.00 0.71 0.00 0.00 52.55 50.78 2yus s ASP 66 Cb -1.39 -1.52 0.71 0.00 1.01 0.00 0.00 42.92 41.72 2yus s ASP 66 CO 0.60 -0.10 1.13 -0.81 0.21 0.00 0.00 175.17 176.21 2yus n PRO 67 N 2.09 0.48 -3.52 8.23 -0.04 -1.26 -4.35 135.00 136.64 2yus n PRO 67 Ca 0.20 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.43 2yus n PRO 67 Cb 0.36 -1.38 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 2yus n PRO 67 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2yus s TYR 68 N -2.00 -0.03 -0.08 0.54 1.13 -1.26 -5.13 117.35 110.52 2yus s TYR 68 Ca 0.18 -0.31 0.03 0.00 -1.41 0.00 0.00 57.07 55.56 2yus s TYR 68 Cb 0.08 -0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 40.31 2yus s TYR 68 CO 0.14 -0.71 -0.16 -1.17 -2.51 0.00 0.00 175.55 171.13 2yus s LEU 69 N 2.22 2.60 -0.29 -3.49 2.96 -1.26 -5.10 118.68 116.32 2yus s LEU 69 Ca 0.07 -0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 53.51 2yus s LEU 69 Cb -0.16 -1.54 0.17 0.00 0.50 0.00 0.00 46.19 45.16 2yus s LEU 69 CO -0.23 0.26 1.07 -1.83 -1.32 0.00 0.00 176.35 174.30 2yus s GLU 70 N -0.22 0.26 0.36 1.98 4.04 -1.26 -5.19 118.70 118.66 2yus s GLU 70 Ca 0.00 0.48 -0.13 0.00 0.04 0.00 0.00 54.97 55.36 2yus s GLU 70 Cb -0.13 0.10 0.03 0.00 0.02 0.00 0.00 34.13 34.15 2yus s GLU 70 CO 0.03 -0.06 0.68 0.54 -1.84 0.00 0.00 175.26 174.61 2yus s ASN 71 N 1.42 0.21 0.18 0.83 4.22 -1.26 -5.19 114.94 115.35 2yus s ASN 71 Ca -0.08 -1.17 -0.02 0.00 -2.14 0.00 0.00 52.86 49.46 2yus s ASN 71 Cb -0.03 0.78 -0.04 0.00 1.28 0.00 0.00 41.25 43.23 2yus s ASN 71 CO -0.14 -1.52 0.12 -0.55 -2.04 0.00 0.00 177.10 172.97 2yus s SER 72 N -3.09 0.19 0.33 3.54 0.15 -1.26 -5.18 113.70 108.38 2yus s SER 72 Ca 0.19 -1.30 0.06 0.00 0.70 0.00 0.00 55.95 55.61 2yus s SER 72 Cb -0.04 0.36 -0.07 0.00 -1.71 0.00 0.00 66.02 64.57 2yus s SER 72 CO 0.13 -0.82 -0.02 -1.81 1.20 0.00 0.00 173.24 171.92 2yus s ASP 73 N -3.11 3.09 1.07 5.45 1.01 -1.26 -5.15 116.67 117.77 2yus s ASP 73 Ca 0.33 -1.28 -0.14 0.00 0.71 0.00 0.00 52.55 52.17 2yus s ASP 73 Cb 0.07 -0.23 0.22 0.00 1.01 0.00 0.00 42.92 43.99 2yus s ASP 73 CO 0.08 -0.41 1.09 -0.44 0.21 0.00 0.00 175.17 175.70 2yus s SER 74 N -3.55 2.03 0.00 0.27 0.01 -1.26 -5.04 113.70 106.16 2yus s SER 74 Ca 0.33 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2yus s SER 74 Cb 0.06 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2yus s SER 74 CO 0.15 -3.49 0.00 0.61 0.41 0.00 0.00 173.24 170.92 2yus n GLY 75 N -0.88 0.01 3.71 3.44 0.00 -1.26 -5.12 105.19 105.10 2yus n GLY 75 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.56 1.04 0.34 1.61 0.04 -1.26 -4.93 135.00 131.28 2yus s PRO 76 Ca 0.00 0.74 -0.23 0.00 0.04 0.00 0.00 61.00 61.54 2yus s PRO 76 Cb 0.00 -1.79 -0.16 0.00 0.04 0.00 0.00 34.50 32.59 2yus s PRO 76 CO 0.00 -2.37 0.25 -1.13 0.04 0.00 0.00 177.00 173.80 2yus n SER 77 N -3.96 -2.22 -3.60 6.66 3.41 -1.26 -4.98 113.62 107.67 2yus n SER 77 Ca 0.06 0.92 -0.10 0.00 -0.26 0.00 0.00 58.87 59.49 2yus n SER 77 Cb 0.56 -0.92 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 2yus n SER 77 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yus s SER 78 N -0.99 -0.39 0.00 4.04 0.15 -1.26 -5.20 113.70 110.04 2yus s SER 78 Ca 0.61 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.81 2yus s SER 78 Cb -0.72 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2yus s SER 78 CO 0.60 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.38