#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 7.04 0.07 1.61 0.01 -1.26 -4.94 113.70 116.23 2yus s SER 2 Ca 0.00 -2.96 -0.26 0.00 1.31 0.00 0.00 55.95 54.04 2yus s SER 2 Cb 0.00 -2.34 0.08 0.00 0.21 0.00 0.00 66.02 63.98 2yus s SER 2 CO 0.00 -0.67 0.72 -0.55 0.41 0.00 0.00 173.24 173.15 2yus s SER 3 N 2.54 -0.49 0.00 2.44 0.15 -1.26 -5.16 113.70 111.92 2yus s SER 3 Ca 0.36 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2yus s SER 3 Cb -0.05 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2yus s SER 3 CO -0.04 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.21 2yus n GLY 4 N -0.21 4.00 3.71 9.45 0.00 -1.26 -5.07 105.19 115.81 2yus n GLY 4 Ca -0.14 -0.80 -0.66 0.00 0.00 0.00 0.00 46.02 44.42 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 1.15 -0.21 1.61 7.64 -1.26 -4.81 113.62 117.74 2yus n SER 5 Ca 0.00 1.18 -0.10 0.00 1.01 0.00 0.00 58.87 60.95 2yus n SER 5 Cb 0.00 -0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 62.23 2yus n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yus h SER 6 N 4.91 -1.68 -0.40 6.43 0.02 -2.06 -3.48 113.55 117.29 2yus h SER 6 Ca -0.45 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2yus h SER 6 Cb 1.37 0.74 0.00 0.00 0.14 0.00 0.00 62.40 64.65 2yus h SER 6 CO 0.93 -0.35 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 2yus n GLY 7 N -1.38 0.46 3.57 -3.77 0.00 -1.26 -4.91 105.19 97.89 2yus n GLY 7 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2yus n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yus s THR 8 N 0.00 3.69 0.40 2.61 2.01 -1.26 -4.95 115.64 118.15 2yus s THR 8 Ca 0.00 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.32 2yus s THR 8 Cb 0.00 -4.57 -0.01 0.00 0.01 0.00 0.00 72.50 67.93 2yus s THR 8 CO 0.00 -1.40 0.47 -0.76 -0.69 0.00 0.00 174.62 172.24 2yus s LEU 9 N 7.87 3.61 -0.56 4.42 2.01 -1.26 -5.08 118.68 129.69 2yus s LEU 9 Ca 0.60 -0.50 0.06 0.00 0.01 0.00 0.00 54.13 54.30 2yus s LEU 9 Cb -0.02 -2.44 0.23 0.00 0.01 0.00 0.00 46.19 43.96 2yus s LEU 9 CO -0.01 -0.65 0.61 0.00 1.01 0.00 0.00 176.35 177.31 2yus n ALA 10 N -1.69 3.40 -0.48 4.21 0.00 -1.26 -5.11 120.51 119.58 2yus n ALA 10 Ca 0.05 -4.19 -0.12 0.00 0.00 0.00 0.00 53.44 49.17 2yus n ALA 10 Cb 0.60 -0.88 0.20 0.00 0.00 0.00 0.00 19.45 19.37 2yus n ALA 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2yus n LYS 11 N 1.35 -3.91 -4.03 0.00 0.00 -1.26 -5.06 118.16 105.25 2yus n LYS 11 Ca 0.26 -0.99 -0.13 0.00 -0.00 0.00 0.00 58.31 57.45 2yus n LYS 11 Cb 0.44 -1.30 -0.13 0.00 -0.00 0.00 0.00 35.03 34.04 2yus n LYS 11 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2yus s SER 12 N -2.72 0.42 -0.04 -5.58 1.04 -1.26 -5.15 113.70 100.41 2yus s SER 12 Ca 0.45 -0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.55 2yus s SER 12 Cb -0.08 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 2yus s SER 12 CO 0.38 -0.04 0.39 -1.59 0.98 0.00 0.00 173.24 173.36 2yus s LYS 13 N -0.47 3.96 0.01 4.02 -2.85 -1.26 -4.97 119.74 118.19 2yus s LYS 13 Ca -0.03 0.35 0.00 0.00 -1.00 0.00 0.00 55.97 55.29 2yus s LYS 13 Cb -0.04 -3.26 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 2yus s LYS 13 CO -0.00 0.60 0.00 0.41 0.10 0.00 0.00 175.35 176.46 2yus n GLY 14 N 2.13 -0.01 3.64 0.59 0.00 -1.26 -5.12 105.19 105.16 2yus n GLY 14 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 -1.91 -0.69 4.61 0.00 -1.26 -5.11 121.76 115.40 2yus s ALA 15 Ca 0.00 1.94 -0.25 0.00 0.00 0.00 0.00 51.96 53.65 2yus s ALA 15 Cb 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 21.81 2yus s ALA 15 CO 0.00 -0.27 1.14 -1.54 0.00 0.00 0.00 175.76 175.09 2yus s SER 16 N 0.32 6.20 -0.96 0.00 1.04 -1.26 -4.96 113.70 114.07 2yus s SER 16 Ca 0.02 -0.59 -0.10 0.00 0.48 0.00 0.00 55.95 55.75 2yus s SER 16 Cb -0.05 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.81 2yus s SER 16 CO -0.04 -1.64 0.92 0.00 0.98 0.00 0.00 173.24 173.46 2yus s ALA 17 N 4.99 4.40 0.00 5.32 0.00 -1.26 -5.00 121.76 130.21 2yus s ALA 17 Ca 0.31 -3.62 0.00 0.00 0.00 0.00 0.00 51.96 48.65 2yus s ALA 17 Cb -0.11 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2yus s ALA 17 CO 0.14 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 174.09 2yus n GLY 18 N 3.20 1.36 3.19 0.00 0.00 -1.26 -2.57 105.19 109.10 2yus n GLY 18 Ca 0.19 0.57 -0.40 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 3.12 0.34 1.61 6.06 -1.26 -5.07 118.95 123.76 2yus s ARG 19 Ca 0.00 -2.67 -0.21 0.00 -2.50 0.00 0.00 55.73 50.35 2yus s ARG 19 Cb 0.00 -4.05 -0.10 0.00 0.06 0.00 0.00 34.95 30.86 2yus s ARG 19 CO 0.00 -1.23 0.86 -2.00 -2.50 0.00 0.00 175.30 170.43 2yus s GLU 20 N -0.27 4.27 0.96 5.12 2.12 -1.06 -5.04 118.70 124.81 2yus s GLU 20 Ca 0.20 1.03 -0.15 0.00 0.36 0.00 0.00 54.97 56.41 2yus s GLU 20 Cb -0.14 -2.53 0.09 0.00 0.26 0.00 0.00 34.13 31.81 2yus s GLU 20 CO -0.07 0.17 -0.04 0.91 -0.54 0.00 0.00 175.26 175.70 2yus n TRP 21 N -0.01 -1.89 -4.62 5.30 7.02 -1.26 -5.03 117.44 116.94 2yus n TRP 21 Ca 0.03 0.20 -0.30 0.00 -1.02 0.00 0.00 57.50 56.41 2yus n TRP 21 Cb 0.52 -1.42 -0.09 0.00 -2.42 0.00 0.00 31.31 27.91 2yus n TRP 21 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2yus s THR 22 N -2.08 1.65 0.20 -0.99 -1.32 -1.26 -4.94 115.64 106.90 2yus s THR 22 Ca 0.35 -1.96 -0.13 0.00 -1.21 0.00 0.00 61.69 58.74 2yus s THR 22 Cb -0.04 -2.62 0.19 0.00 -1.51 0.00 0.00 72.50 68.52 2yus s THR 22 CO 0.40 0.00 1.65 -0.33 -2.21 0.00 0.00 174.62 174.13 2yus h GLU 23 N 1.53 0.06 0.00 7.08 3.07 -1.99 0.11 114.58 124.44 2yus h GLU 23 Ca -0.44 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 2yus h GLU 23 Cb 1.27 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2yus h GLU 23 CO 0.77 0.04 0.00 1.04 -1.40 0.00 0.00 179.01 179.46 2yus n GLN 24 N -5.33 0.00 -0.28 2.33 6.02 -1.26 -2.67 117.38 116.19 2yus n GLN 24 Ca 0.07 0.46 0.17 0.00 -0.01 0.00 0.00 57.00 57.69 2yus n GLN 24 Cb 0.32 -1.28 0.32 0.00 1.02 0.00 0.00 30.24 30.63 2yus n GLN 24 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2yus n GLU 25 N -1.87 -0.06 0.03 -1.09 1.02 -1.18 0.92 120.64 118.41 2yus n GLU 25 Ca 0.00 1.23 -0.10 0.00 -0.02 0.00 0.00 57.16 58.26 2yus n GLU 25 Cb 0.00 -2.02 -0.04 0.00 -0.02 0.00 0.00 31.44 29.36 2yus n GLU 25 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2yus h THR 26 N 0.00 0.60 0.34 2.62 2.02 -0.82 -2.27 112.91 115.41 2yus h THR 26 Ca 0.57 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.74 2yus h THR 26 Cb 1.31 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2yus h THR 26 CO -0.75 0.00 -0.16 -0.07 0.37 0.00 0.00 175.52 174.91 2yus h LEU 27 N -0.23 -0.39 -0.93 2.58 3.38 0.77 -2.97 115.31 117.52 2yus h LEU 27 Ca 0.07 -0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.20 2yus h LEU 27 Cb 0.33 0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.00 2yus h LEU 27 CO -0.19 -0.23 -0.21 -0.07 0.09 0.00 0.00 178.44 177.83 2yus h LEU 28 N -0.52 -0.83 -0.14 1.67 -0.00 -1.03 0.22 115.31 114.67 2yus h LEU 28 Ca -0.05 0.28 0.05 0.00 -0.00 0.00 0.00 57.88 58.16 2yus h LEU 28 Cb 0.39 0.57 -0.06 0.00 -0.00 0.00 0.00 40.66 41.56 2yus h LEU 28 CO 0.08 -0.31 -0.28 0.25 -0.00 0.00 0.00 178.44 178.18 2yus h LEU 29 N 0.00 -0.86 0.33 1.67 5.85 -1.25 -1.44 115.31 119.62 2yus h LEU 29 Ca 0.46 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.31 2yus h LEU 29 Cb 0.72 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2yus h LEU 29 CO -0.95 -0.32 -0.30 -0.07 -0.34 0.00 0.00 178.44 176.46 2yus h LEU 30 N -0.34 -0.80 -0.62 2.25 3.38 -0.59 0.25 115.31 118.84 2yus h LEU 30 Ca 0.10 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.21 2yus h LEU 30 Cb 0.50 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.42 2yus h LEU 30 CO -0.34 -0.44 -0.57 -0.08 0.09 0.00 0.00 178.44 177.11 2yus h GLU 31 N -0.65 -0.24 -0.78 1.13 4.57 -0.73 0.21 114.58 118.08 2yus h GLU 31 Ca -0.02 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2yus h GLU 31 Cb 0.59 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 2yus h GLU 31 CO -0.04 -0.16 0.46 0.00 -1.18 0.00 0.00 179.01 178.09 2yus h ALA 32 N 0.18 0.99 0.00 2.92 0.00 -1.15 -1.59 119.26 120.61 2yus h ALA 32 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2yus h ALA 32 Cb 0.53 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2yus h ALA 32 CO -0.72 0.47 0.37 -0.07 0.00 0.00 0.00 179.25 179.30 2yus h LEU 33 N 1.07 0.00 0.04 0.00 3.38 0.16 1.18 115.31 121.13 2yus h LEU 33 Ca 0.28 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.95 2yus h LEU 33 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2yus h LEU 33 CO -0.05 0.00 -1.66 -0.33 0.09 0.00 0.00 178.44 176.49 2yus h GLU 34 N 0.00 0.09 0.00 1.13 5.08 -0.69 -3.13 114.58 117.06 2yus h GLU 34 Ca 0.00 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 2yus h GLU 34 Cb 0.74 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2yus h GLU 34 CO 0.00 0.78 -1.52 -1.33 -1.00 0.00 0.00 179.01 175.94 2yus n MET 35 N -3.22 0.55 -0.61 2.33 2.81 0.21 -4.48 117.12 114.71 2yus n MET 35 Ca -0.18 0.26 -0.07 0.00 -1.81 0.00 0.00 57.70 55.90 2yus n MET 35 Cb 1.04 -1.48 0.14 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 1.49 0.00 2.03 4.01 0.34 -4.70 117.16 115.94 2yus n TYR 36 Ca -0.28 -0.96 0.00 0.00 -0.16 0.00 0.00 57.90 56.50 2yus n TYR 36 Cb 0.64 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.15 0.00 0.18 -0.72 3.00 -1.18 -0.71 118.16 118.57 2yus n LYS 37 Ca 0.27 0.58 0.12 0.00 -0.00 0.00 0.00 58.31 59.28 2yus n LYS 37 Cb 1.02 -0.94 0.24 0.00 0.00 0.00 0.00 35.03 35.34 2yus n LYS 37 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2yus h ASP 38 N 0.00 0.00 -0.84 3.14 1.82 -1.86 -3.32 116.42 115.36 2yus h ASP 38 Ca 0.00 -0.01 -0.43 0.00 -0.39 0.00 0.00 57.03 56.20 2yus h ASP 38 Cb 0.00 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 39.85 2yus h ASP 38 CO 0.00 0.00 0.30 0.47 -1.61 0.00 0.00 179.24 178.40 2yus n ASP 39 N -2.79 6.32 -0.36 2.28 8.00 0.11 -4.67 116.55 125.43 2yus n ASP 39 Ca 0.04 -3.09 0.26 0.00 0.71 0.00 0.00 54.79 52.71 2yus n ASP 39 Cb 0.50 -1.22 0.52 0.00 -0.02 0.00 0.00 41.12 40.89 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 2.73 0.79 -1.35 1.24 4.06 -1.54 0.13 115.95 122.02 2yus h TRP 40 Ca 0.35 0.03 0.45 0.00 2.06 0.00 0.00 58.89 61.79 2yus h TRP 40 Cb 0.85 -0.21 -0.12 0.00 -1.00 0.00 0.00 29.16 28.67 2yus h TRP 40 CO 1.38 -0.13 0.89 0.09 -3.56 0.00 0.00 178.44 177.11 2yus n ASN 41 N -4.89 0.17 0.01 -3.49 4.13 -1.26 1.00 115.26 110.92 2yus n ASN 41 Ca 0.32 1.23 -0.22 0.00 1.68 0.00 0.00 54.58 57.59 2yus n ASN 41 Cb 1.06 -0.61 -0.14 0.00 -1.54 0.00 0.00 39.78 38.55 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 0.25 -1.00 3.52 1.57 -1.07 -3.39 116.57 116.46 2yus h LYS 42 Ca 0.82 -0.43 0.13 0.00 -1.87 0.00 0.00 60.65 59.30 2yus h LYS 42 Cb 2.74 0.16 -0.15 0.00 0.08 0.00 0.00 32.23 35.07 2yus h LYS 42 CO -0.37 1.21 -0.46 0.28 -0.57 0.00 0.00 179.45 179.54 2yus h VAL 43 N -0.14 0.00 -0.92 0.50 2.07 0.67 0.42 116.25 118.84 2yus h VAL 43 Ca -0.37 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.38 2yus h VAL 43 Cb 1.89 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.49 2yus h VAL 43 CO 0.06 0.00 -0.02 0.77 0.02 0.00 0.00 177.57 178.40 2yus h SER 44 N -0.00 -0.51 -0.49 0.57 4.64 -1.64 0.55 113.55 116.66 2yus h SER 44 Ca 0.28 0.26 -0.08 0.00 -0.47 0.00 0.00 61.79 61.78 2yus h SER 44 Cb 0.54 0.47 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 2yus h SER 44 CO -0.97 -0.30 -0.02 -0.33 -0.87 0.00 0.00 176.83 174.34 2yus h GLU 45 N 0.04 0.88 -0.17 4.77 4.39 -0.42 -2.81 114.58 121.26 2yus h GLU 45 Ca 0.53 -0.29 0.05 0.00 0.34 0.00 0.00 59.36 59.99 2yus h GLU 45 Cb 1.00 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.51 2yus h GLU 45 CO -0.87 0.92 -0.38 1.25 -1.16 0.00 0.00 179.01 178.78 2yus h HIS 46 N 0.73 -1.06 0.30 4.33 2.76 0.12 -3.04 115.15 119.28 2yus h HIS 46 Ca 0.14 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2yus h HIS 46 Cb 0.54 0.49 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 2yus h HIS 46 CO 0.04 -0.44 -0.22 0.28 -1.30 0.00 0.00 177.93 176.29 2yus h VAL 47 N -0.43 0.00 0.00 5.26 2.07 -1.34 -3.48 116.25 118.33 2yus h VAL 47 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2yus h VAL 47 Cb 0.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2yus h VAL 47 CO -0.40 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.80 2yus n GLY 48 N -1.27 2.52 2.33 2.17 0.00 -1.06 -4.87 105.19 105.01 2yus n GLY 48 Ca -0.06 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 7.10 -3.90 1.61 2.88 -1.26 -4.94 113.62 115.11 2yus n SER 49 Ca 0.00 -3.79 -0.09 0.00 -1.33 0.00 0.00 58.87 53.66 2yus n SER 49 Cb 0.00 -0.85 -0.07 0.00 -0.75 0.00 0.00 64.21 62.54 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 -3.80 1.10 0.52 -1.46 1.81 -1.26 -5.14 118.95 110.72 2yus s ARG 50 Ca 0.61 -1.07 0.02 0.00 -1.72 0.00 0.00 55.73 53.56 2yus s ARG 50 Cb 0.48 0.39 0.00 0.00 -0.45 0.00 0.00 34.95 35.37 2yus s ARG 50 CO -0.05 -0.40 0.09 0.95 -0.68 0.00 0.00 175.30 175.22 2yus s THR 51 N -3.93 1.22 0.05 0.02 -4.23 -1.26 -4.61 115.64 102.90 2yus s THR 51 Ca 0.13 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 58.54 2yus s THR 51 Cb 0.03 -2.11 -0.10 0.00 1.34 0.00 0.00 72.50 71.66 2yus s THR 51 CO -0.03 0.00 1.33 1.56 -0.54 0.00 0.00 174.62 176.94 2yus h GLN 52 N 1.19 -0.58 -0.27 3.99 4.20 -1.92 -1.61 115.11 120.11 2yus h GLN 52 Ca -0.42 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.36 2yus h GLN 52 Cb 1.32 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 29.17 2yus h GLN 52 CO 0.70 -0.39 -0.45 -0.44 -0.67 0.00 0.00 178.83 177.59 2yus h ASP 53 N -0.60 -1.47 -0.91 1.46 3.32 -1.97 -2.09 116.42 114.16 2yus h ASP 53 Ca -0.04 0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.29 2yus h ASP 53 Cb 0.53 0.59 -0.12 0.00 0.22 0.00 0.00 39.33 40.55 2yus h ASP 53 CO -0.04 -0.34 -0.57 -0.33 -1.72 0.00 0.00 179.24 176.24 2yus h GLU 54 N -0.36 -0.06 -0.77 3.56 4.39 -1.96 0.21 114.58 119.59 2yus h GLU 54 Ca 0.05 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.90 2yus h GLU 54 Cb 0.50 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 29.01 2yus h GLU 54 CO -0.44 -0.04 -0.23 0.00 -1.16 0.00 0.00 179.01 177.14 2yus h ILE 56 N -0.03 1.13 0.39 0.00 2.04 -0.08 -0.67 117.51 120.30 2yus h ILE 56 Ca 0.35 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 2yus h ILE 56 Cb 0.58 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2yus h ILE 56 CO -0.81 0.17 -0.19 -0.07 0.00 0.00 0.00 178.15 177.26 2yus h LEU 57 N 0.94 -0.45 -2.04 1.44 3.38 0.13 -2.60 115.31 116.11 2yus h LEU 57 Ca 0.29 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2yus h LEU 57 Cb -0.03 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2yus h LEU 57 CO -0.09 -0.20 0.22 -0.74 0.09 0.00 0.00 178.44 177.72 2yus h HIS 58 N -0.69 0.00 -0.14 1.13 2.76 -0.44 -1.84 115.15 115.93 2yus h HIS 58 Ca -0.05 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 2yus h HIS 58 Cb 0.49 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2yus h HIS 58 CO -0.01 0.00 0.02 0.35 -1.30 0.00 0.00 177.93 176.99 2yus h PHE 59 N 0.00 0.24 -0.94 5.26 3.57 -0.78 -2.95 116.94 121.34 2yus h PHE 59 Ca 0.14 -0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.86 2yus h PHE 59 Cb 0.58 -0.07 -0.13 0.00 2.79 0.00 0.00 35.95 39.12 2yus h PHE 59 CO 0.00 0.40 0.45 -0.07 -2.23 0.00 0.00 178.31 176.86 2yus h LEU 60 N 0.01 0.38 0.79 0.59 3.38 -0.97 -1.28 115.31 118.21 2yus h LEU 60 Ca 0.04 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2yus h LEU 60 Cb 0.29 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2yus h LEU 60 CO 0.00 -0.05 -0.38 0.03 0.09 0.00 0.00 178.44 178.14 2yus h ARG 61 N 0.38 -1.02 -4.81 1.13 -0.00 -1.54 -3.42 114.38 105.09 2yus h ARG 61 Ca 0.62 0.07 -0.50 0.00 -0.50 0.00 0.00 59.98 59.67 2yus h ARG 61 Cb 1.26 0.23 0.12 0.00 0.00 0.00 0.00 29.97 31.59 2yus h ARG 61 CO -0.56 -0.67 -0.74 1.28 0.00 0.00 0.00 179.97 179.27 2yus n LEU 62 N -5.53 -2.23 -4.59 3.04 4.77 -0.48 -4.73 117.00 107.25 2yus n LEU 62 Ca -0.14 0.67 -0.42 0.00 -0.03 0.00 0.00 56.01 56.08 2yus n LEU 62 Cb 0.43 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2yus n LEU 62 CO 0.38 -3.32 1.50 -2.16 -1.33 0.00 0.00 177.39 172.46 2yus s PRO 63 N -0.80 3.17 0.13 3.23 0.04 -1.26 -4.94 135.00 134.57 2yus s PRO 63 Ca 0.48 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 2yus s PRO 63 Cb -0.53 -4.22 -0.10 0.00 0.04 0.00 0.00 34.50 29.69 2yus s PRO 63 CO 0.50 -2.06 1.77 -1.50 0.04 0.00 0.00 177.00 175.75 2yus s ILE 64 N 7.25 2.54 -0.37 0.56 2.07 -1.26 -4.83 121.20 127.16 2yus s ILE 64 Ca 0.73 0.14 -0.37 0.00 -1.41 0.00 0.00 60.65 59.74 2yus s ILE 64 Cb -0.18 -3.09 -0.13 0.00 0.13 0.00 0.00 42.46 39.18 2yus s ILE 64 CO 0.30 0.00 2.13 1.21 -1.91 0.00 0.00 174.94 176.67 2yus n GLU 65 N 5.28 0.88 -3.62 3.50 2.13 -1.26 -4.88 120.64 122.67 2yus n GLU 65 Ca 0.17 0.25 -0.08 0.00 0.66 0.00 0.00 57.16 58.16 2yus n GLU 65 Cb 0.38 -2.24 -0.06 0.00 0.27 0.00 0.00 31.44 29.79 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 6.66 -0.33 -0.02 4.31 1.01 -1.26 -5.07 116.67 121.98 2yus s ASP 66 Ca 1.10 0.54 -0.25 0.00 0.71 0.00 0.00 52.55 54.65 2yus s ASP 66 Cb -1.01 0.51 -0.20 0.00 1.01 0.00 0.00 42.92 43.24 2yus s ASP 66 CO 0.54 -0.17 1.23 1.55 0.21 0.00 0.00 175.17 178.53 2yus h PRO 67 N 3.37 -0.06 0.00 8.23 0.13 -2.04 -3.44 132.00 138.20 2yus h PRO 67 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2yus h PRO 67 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yus h PRO 67 CO 0.19 0.41 -0.33 2.48 -0.23 0.00 0.00 178.00 180.52 2yus n TYR 68 N -4.89 0.00 -1.46 1.56 4.11 -1.26 -5.05 117.16 110.18 2yus n TYR 68 Ca -0.08 0.00 -0.56 0.00 -0.00 0.00 0.00 57.90 57.25 2yus n TYR 68 Cb 0.25 0.10 -0.09 0.00 -0.00 0.00 0.00 39.34 39.60 2yus n TYR 68 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 2yus n LEU 69 N -2.08 1.67 -4.49 -3.48 7.94 -1.26 -4.89 117.00 110.41 2yus n LEU 69 Ca 0.00 0.69 -0.43 0.00 -1.11 0.00 0.00 56.01 55.16 2yus n LEU 69 Cb 0.16 -1.09 -0.09 0.00 0.53 0.00 0.00 43.42 42.94 2yus n LEU 69 CO 0.00 -0.69 0.13 -1.61 -1.11 0.00 0.00 177.39 174.12 2yus s GLU 70 N 5.37 3.13 -0.30 1.96 2.02 -1.26 -4.75 118.70 124.87 2yus s GLU 70 Ca 1.10 -0.71 0.10 0.00 0.02 0.00 0.00 54.97 55.48 2yus s GLU 70 Cb -1.16 -3.96 0.46 0.00 0.10 0.00 0.00 34.13 29.58 2yus s GLU 70 CO 0.60 -0.86 1.16 0.09 0.02 0.00 0.00 175.26 176.28 2yus n ASN 71 N 5.65 4.24 -3.91 -0.19 4.13 -1.26 -4.95 115.26 118.97 2yus n ASN 71 Ca -0.07 -3.42 -0.30 0.00 1.68 0.00 0.00 54.58 52.47 2yus n ASN 71 Cb 0.47 -0.38 -0.14 0.00 -1.54 0.00 0.00 39.78 38.19 2yus n ASN 71 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2yus s SER 72 N -3.62 4.28 -0.27 6.41 1.04 -1.26 -4.87 113.70 115.41 2yus s SER 72 Ca 0.46 -2.69 -0.08 0.00 0.48 0.00 0.00 55.95 54.12 2yus s SER 72 Cb 0.39 -1.49 0.12 0.00 0.10 0.00 0.00 66.02 65.15 2yus s SER 72 CO 0.00 -0.28 0.56 -0.62 0.98 0.00 0.00 173.24 173.89 2yus s ASP 73 N 0.18 -0.84 -0.06 7.02 -1.08 -1.26 -5.05 116.67 115.59 2yus s ASP 73 Ca 0.15 1.30 -0.24 0.00 -0.52 0.00 0.00 52.55 53.24 2yus s ASP 73 Cb -0.24 1.95 -0.24 0.00 -1.46 0.00 0.00 42.92 42.93 2yus s ASP 73 CO -0.03 -0.23 1.00 -1.28 0.52 0.00 0.00 175.17 175.15 2yus h SER 74 N 8.06 0.25 0.00 -0.34 0.87 -1.96 -3.50 113.55 116.92 2yus h SER 74 Ca -0.18 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2yus h SER 74 Cb 1.11 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2yus h SER 74 CO 0.12 1.03 0.00 0.61 -0.53 0.00 0.00 176.83 178.06 2yus n GLY 75 N 1.16 -1.43 3.66 5.77 0.00 -1.26 -4.93 105.19 108.16 2yus n GLY 75 Ca -0.10 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 0.07 -1.39 1.61 0.04 -1.26 -4.07 135.00 130.00 2yus s PRO 76 Ca 0.00 0.39 -0.10 0.00 0.04 0.00 0.00 61.00 61.34 2yus s PRO 76 Cb 0.00 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.86 2yus s PRO 76 CO 0.00 -2.95 1.15 0.45 0.04 0.00 0.00 177.00 175.69 2yus n SER 77 N -4.31 -6.06 -4.72 6.66 2.88 -1.26 -4.91 113.62 101.91 2yus n SER 77 Ca 0.06 -0.58 -0.42 0.00 -1.33 0.00 0.00 58.87 56.60 2yus n SER 77 Cb 0.58 -4.84 -0.03 0.00 -0.75 0.00 0.00 64.21 59.17 2yus n SER 77 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yus s SER 78 N -3.34 6.61 0.00 -3.46 0.01 -1.26 -5.20 113.70 107.07 2yus s SER 78 Ca 0.59 2.59 0.00 0.00 1.31 0.00 0.00 55.95 60.45 2yus s SER 78 Cb -0.27 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.37 2yus s SER 78 CO 0.75 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 174.21