#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 -2.71 0.07 1.61 7.64 -1.26 -4.99 113.62 113.99 2yus n SER 2 Ca 0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2yus n SER 2 Cb 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2yus n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yus n SER 3 N -0.56 0.85 0.00 6.43 2.88 -1.26 -5.17 113.62 116.79 2yus n SER 3 Ca 0.03 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2yus n SER 3 Cb 0.58 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2yus n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yus n GLY 4 N 3.08 0.99 3.73 0.46 0.00 -1.26 -5.08 105.19 107.10 2yus n GLY 4 Ca 0.00 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 2yus n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yus s SER 5 N -3.16 7.46 0.21 1.61 0.01 -1.26 -4.95 113.70 113.62 2yus s SER 5 Ca 0.00 1.75 -0.09 0.00 1.31 0.00 0.00 55.95 58.92 2yus s SER 5 Cb 0.00 -2.58 0.27 0.00 0.21 0.00 0.00 66.02 63.92 2yus s SER 5 CO 0.00 -0.10 1.77 -1.28 0.41 0.00 0.00 173.24 174.04 2yus h SER 6 N 5.82 0.36 0.00 2.44 0.87 -2.09 -3.48 113.55 117.47 2yus h SER 6 Ca -0.43 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2yus h SER 6 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2yus h SER 6 CO 0.72 0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.85 2yus n GLY 7 N -1.29 0.15 3.32 5.77 0.00 -1.26 -5.03 105.19 106.85 2yus n GLY 7 Ca 0.09 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 2yus n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2yus s THR 8 N 0.00 2.02 0.20 2.61 -1.32 -1.26 -5.14 115.64 112.74 2yus s THR 8 Ca 0.00 -1.33 0.06 0.00 -1.21 0.00 0.00 61.69 59.21 2yus s THR 8 Cb 0.00 -1.73 -0.05 0.00 -1.51 0.00 0.00 72.50 69.22 2yus s THR 8 CO 0.00 0.34 -0.10 -1.48 -2.21 0.00 0.00 174.62 171.17 2yus s LEU 9 N -1.19 2.49 0.28 9.08 2.34 -1.26 -5.16 118.68 125.26 2yus s LEU 9 Ca 0.11 -1.07 -0.19 0.00 0.06 0.00 0.00 54.13 53.04 2yus s LEU 9 Cb -0.10 -0.50 0.06 0.00 -0.56 0.00 0.00 46.19 45.09 2yus s LEU 9 CO 0.02 -0.29 0.89 0.00 -1.06 0.00 0.00 176.35 175.91 2yus s ALA 10 N -3.16 -1.17 1.09 1.48 0.00 -1.26 -5.18 121.76 113.56 2yus s ALA 10 Ca 0.22 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 2yus s ALA 10 Cb 0.02 0.72 0.24 0.00 0.00 0.00 0.00 23.12 24.10 2yus s ALA 10 CO 0.06 -1.02 1.19 0.15 0.00 0.00 0.00 175.76 176.13 2yus s LYS 11 N -2.44 -0.35 -0.69 0.00 3.01 -1.26 -4.95 119.74 113.06 2yus s LYS 11 Ca 0.17 -0.16 -0.02 0.00 -1.01 0.00 0.00 55.97 54.95 2yus s LYS 11 Cb -0.04 -1.71 0.30 0.00 -1.01 0.00 0.00 37.83 35.38 2yus s LYS 11 CO 0.08 -3.12 2.19 -1.13 0.51 0.00 0.00 175.35 173.88 2yus n SER 12 N -4.32 7.27 0.11 2.83 3.41 -1.26 -4.65 113.62 117.02 2yus n SER 12 Ca 0.13 -3.64 -0.13 0.00 -0.26 0.00 0.00 58.87 54.98 2yus n SER 12 Cb 0.59 -1.08 -0.08 0.00 -0.26 0.00 0.00 64.21 63.38 2yus n SER 12 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2yus h LYS 13 N 2.66 -0.28 0.13 4.33 1.63 -2.07 -3.33 116.57 119.64 2yus h LYS 13 Ca 0.52 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 2yus h LYS 13 Cb 0.41 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 2yus h LYS 13 CO 1.31 0.05 -0.25 0.78 -3.45 0.00 0.00 179.45 177.88 2yus h GLY 14 N -0.63 -1.11 -7.15 5.01 0.00 -1.99 -3.45 103.07 93.74 2yus h GLY 14 Ca -0.03 0.53 -0.62 0.00 0.00 0.00 0.00 47.33 47.21 2yus h GLY 14 CO 0.05 -0.35 -0.94 0.00 0.00 0.00 0.00 176.54 175.30 2yus n ALA 15 N -2.62 -1.58 -3.97 3.60 0.00 -1.25 0.03 120.51 114.72 2yus n ALA 15 Ca -0.05 -0.31 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 2yus n ALA 15 Cb 0.21 -1.73 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 2yus n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2yus n SER 16 N -2.66 -0.20 -0.13 0.00 3.41 -1.26 -4.78 113.62 108.00 2yus n SER 16 Ca -0.09 -1.03 -0.24 0.00 -0.26 0.00 0.00 58.87 57.25 2yus n SER 16 Cb 0.57 -1.29 -0.10 0.00 -0.26 0.00 0.00 64.21 63.12 2yus n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yus n ALA 17 N -3.68 1.36 -3.54 7.33 0.00 0.10 -4.82 120.51 117.26 2yus n ALA 17 Ca -0.11 -1.05 -0.41 0.00 0.00 0.00 0.00 53.44 51.87 2yus n ALA 17 Cb 0.48 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 -5.80 2.51 -0.53 0.00 0.00 -1.26 -5.02 107.32 97.22 2yus s GLY 18 Ca -0.36 -3.19 -0.26 0.00 0.00 0.00 0.00 44.72 40.91 2yus s GLY 18 CO 0.50 1.16 2.44 0.54 0.00 0.00 0.00 173.10 177.74 2yus n ARG 19 N 3.87 0.97 0.08 2.90 1.74 -1.26 -4.76 116.66 120.20 2yus n ARG 19 Ca 0.08 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.22 2yus n ARG 19 Cb 0.42 -3.29 0.31 0.00 -1.02 0.00 0.00 32.46 28.88 2yus n ARG 19 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2yus n GLU 20 N 8.96 0.07 -4.36 5.56 -0.58 -1.26 -4.67 120.64 124.37 2yus n GLU 20 Ca 0.39 0.54 -0.18 0.00 -0.42 0.00 0.00 57.16 57.49 2yus n GLU 20 Cb 0.50 -1.73 -0.10 0.00 -0.57 0.00 0.00 31.44 29.55 2yus n GLU 20 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2yus s TRP 21 N -3.26 1.63 0.28 -0.32 0.52 -1.26 -5.18 118.94 111.35 2yus s TRP 21 Ca -0.00 -1.21 0.05 0.00 0.02 0.00 0.00 56.10 54.96 2yus s TRP 21 Cb 0.04 -0.96 -0.06 0.00 -1.15 0.00 0.00 33.47 31.34 2yus s TRP 21 CO 0.13 -0.33 -0.03 0.95 0.02 0.00 0.00 176.95 177.69 2yus s THR 22 N -3.61 1.44 0.20 2.01 -4.23 -1.26 -5.05 115.64 105.14 2yus s THR 22 Ca 0.36 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.68 2yus s THR 22 Cb 0.07 -2.49 0.12 0.00 1.34 0.00 0.00 72.50 71.54 2yus s THR 22 CO 0.15 -0.25 1.75 -0.08 -0.54 0.00 0.00 174.62 175.65 2yus h GLU 23 N 2.28 0.39 0.62 3.99 4.81 -2.00 -1.87 114.58 122.81 2yus h GLU 23 Ca -0.40 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 2yus h GLU 23 Cb 1.23 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2yus h GLU 23 CO 0.67 0.26 -0.36 0.37 -0.73 0.00 0.00 179.01 179.22 2yus h GLN 24 N 0.40 -0.88 -0.90 1.92 5.75 -2.00 -2.40 115.11 117.01 2yus h GLN 24 Ca 0.28 0.06 0.24 0.00 -0.15 0.00 0.00 58.65 59.07 2yus h GLN 24 Cb 0.31 0.20 -0.16 0.00 1.07 0.00 0.00 27.48 28.90 2yus h GLN 24 CO -0.27 -0.58 0.08 0.93 -2.65 0.00 0.00 178.83 176.34 2yus h GLU 25 N -0.91 0.08 -0.43 1.69 5.08 -1.92 0.34 114.58 118.51 2yus h GLU 25 Ca -0.08 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2yus h GLU 25 Cb 0.72 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 2yus h GLU 25 CO 0.10 0.05 0.10 1.15 -1.00 0.00 0.00 179.01 179.41 2yus h THR 26 N 0.08 0.79 0.12 1.13 2.02 -1.12 0.52 112.91 116.44 2yus h THR 26 Ca 0.54 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.63 2yus h THR 26 Cb 1.08 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2yus h THR 26 CO -0.78 0.04 -0.06 -0.07 0.37 0.00 0.00 175.52 175.02 2yus h LEU 27 N 0.23 -0.13 -0.07 2.58 3.38 0.11 -2.97 115.31 118.44 2yus h LEU 27 Ca 0.21 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2yus h LEU 27 Cb 0.25 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2yus h LEU 27 CO -0.26 0.07 -0.26 -0.07 0.09 0.00 0.00 178.44 178.00 2yus h LEU 28 N -0.33 -0.79 -0.72 1.67 3.38 -0.76 -2.36 115.31 115.40 2yus h LEU 28 Ca -0.02 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.16 2yus h LEU 28 Cb 0.27 0.34 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 2yus h LEU 28 CO 0.03 -0.32 -0.48 0.25 0.09 0.00 0.00 178.44 178.01 2yus h LEU 29 N -0.36 -1.68 -0.60 1.67 5.85 -0.88 0.12 115.31 119.43 2yus h LEU 29 Ca 0.08 0.27 0.12 0.00 0.84 0.00 0.00 57.88 59.20 2yus h LEU 29 Cb 0.48 0.77 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 2yus h LEU 29 CO -0.28 -0.31 0.05 -0.07 -0.34 0.00 0.00 178.44 177.48 2yus h LEU 30 N -0.16 -0.17 -0.30 2.25 3.38 -1.31 0.12 115.31 119.12 2yus h LEU 30 Ca 0.19 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.33 2yus h LEU 30 Cb 0.54 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 2yus h LEU 30 CO -0.78 -0.07 -0.42 -0.08 0.09 0.00 0.00 178.44 177.18 2yus h GLU 31 N 0.16 -0.29 -0.90 1.13 4.57 -0.26 -1.04 114.58 117.96 2yus h GLU 31 Ca 0.31 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.50 2yus h GLU 31 Cb 0.49 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 2yus h GLU 31 CO -0.47 -0.19 0.50 0.00 -1.18 0.00 0.00 179.01 177.66 2yus h ALA 32 N -0.37 1.19 0.00 2.92 0.00 -1.03 -1.62 119.26 120.36 2yus h ALA 32 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2yus h ALA 32 Cb 0.45 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2yus h ALA 32 CO -0.44 0.66 0.32 -0.07 0.00 0.00 0.00 179.25 179.71 2yus h LEU 33 N 1.25 0.00 0.09 0.00 3.38 0.53 1.02 115.31 121.58 2yus h LEU 33 Ca 0.32 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.96 2yus h LEU 33 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2yus h LEU 33 CO -0.05 0.00 -1.80 -0.33 0.09 0.00 0.00 178.44 176.35 2yus h GLU 34 N 0.00 0.19 0.00 1.13 4.39 -0.67 -3.13 114.58 116.49 2yus h GLU 34 Ca 0.00 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.27 2yus h GLU 34 Cb 0.63 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 2yus h GLU 34 CO 0.00 0.99 -1.09 -1.33 -1.16 0.00 0.00 179.01 176.42 2yus n MET 35 N -3.35 0.52 -1.02 2.33 2.81 0.12 -4.46 117.12 114.07 2yus n MET 35 Ca -0.24 0.39 -0.21 0.00 -1.81 0.00 0.00 57.70 55.83 2yus n MET 35 Cb 1.05 -1.58 0.12 0.00 -0.71 0.00 0.00 33.22 32.10 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 -4.48 2.47 -0.30 2.03 4.01 0.31 -4.70 117.16 116.49 2yus n TYR 36 Ca -0.20 -1.85 0.01 0.00 -0.16 0.00 0.00 57.90 55.70 2yus n TYR 36 Cb 0.50 -0.93 0.06 0.00 -0.31 0.00 0.00 39.34 38.67 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 -0.70 -0.15 -0.02 -0.72 4.81 -1.15 -1.44 118.16 118.79 2yus n LYS 37 Ca 0.48 1.25 -0.22 0.00 -0.87 0.00 0.00 58.31 58.95 2yus n LYS 37 Cb 1.21 -1.86 -0.13 0.00 0.02 0.00 0.00 35.03 34.27 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 0.30 -0.09 3.14 2.03 -1.86 -3.41 116.42 116.52 2yus h ASP 38 Ca 0.31 -0.81 -0.51 0.00 -0.73 0.00 0.00 57.03 55.29 2yus h ASP 38 Cb 0.52 -0.10 0.06 0.00 -0.83 0.00 0.00 39.33 38.98 2yus h ASP 38 CO -0.81 1.73 1.58 0.47 -1.03 0.00 0.00 179.24 181.18 2yus n ASP 39 N -3.81 2.03 0.25 4.15 8.00 -0.52 -4.65 116.55 122.01 2yus n ASP 39 Ca -0.31 -2.61 0.17 0.00 0.71 0.00 0.00 54.79 52.74 2yus n ASP 39 Cb 0.93 -1.09 0.88 0.00 -0.02 0.00 0.00 41.12 41.82 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 9.22 0.00 -0.37 1.24 4.06 -1.81 -2.60 115.95 125.69 2yus h TRP 40 Ca 0.30 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.32 2yus h TRP 40 Cb 0.76 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.83 2yus h TRP 40 CO 1.14 0.00 -0.30 -2.95 -3.56 0.00 0.00 178.44 172.77 2yus h ASN 41 N 0.00 -1.00 1.41 -3.49 7.08 -1.90 -0.06 115.58 117.62 2yus h ASN 41 Ca 0.05 0.18 -0.07 0.00 -3.08 0.00 0.00 56.30 53.38 2yus h ASN 41 Cb 0.30 0.48 -0.01 0.00 -2.08 0.00 0.00 38.32 37.00 2yus h ASN 41 CO -0.00 -0.31 -0.33 0.11 -2.08 0.00 0.00 177.43 174.82 2yus h LYS 42 N -0.25 0.00 -0.61 4.14 1.57 -1.83 -3.26 116.57 116.33 2yus h LYS 42 Ca 0.17 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2yus h LYS 42 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 2yus h LYS 42 CO -0.51 0.33 0.33 0.28 -0.57 0.00 0.00 179.45 179.31 2yus h VAL 43 N 0.00 0.97 0.00 0.50 2.07 -0.84 0.65 116.25 119.59 2yus h VAL 43 Ca -0.00 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2yus h VAL 43 Cb 1.12 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2yus h VAL 43 CO 0.04 0.11 -0.38 0.77 0.02 0.00 0.00 177.57 178.13 2yus h SER 44 N 0.62 0.00 0.86 0.57 4.64 -1.40 -2.94 113.55 115.91 2yus h SER 44 Ca 0.27 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.36 2yus h SER 44 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 2yus h SER 44 CO -0.17 0.38 -1.18 -0.08 -0.87 0.00 0.00 176.83 174.91 2yus h GLU 45 N 0.00 0.01 -0.21 4.77 4.81 -1.29 -3.26 114.58 119.40 2yus h GLU 45 Ca -0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2yus h GLU 45 Cb 0.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2yus h GLU 45 CO 0.05 0.88 -0.05 1.25 -0.73 0.00 0.00 179.01 180.41 2yus h HIS 46 N 0.00 0.46 0.48 0.92 2.76 0.37 -3.30 115.15 116.84 2yus h HIS 46 Ca -0.08 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 57.97 2yus h HIS 46 Cb 1.84 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.67 2yus h HIS 46 CO 0.00 0.65 -0.36 0.28 -1.30 0.00 0.00 177.93 177.20 2yus h VAL 47 N 0.14 0.00 0.00 5.26 2.07 -1.64 -3.49 116.25 118.59 2yus h VAL 47 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2yus h VAL 47 Cb 0.50 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2yus h VAL 47 CO 0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 2yus n GLY 48 N -1.43 2.69 2.09 2.17 0.00 -1.23 -4.88 105.19 104.59 2yus n GLY 48 Ca -0.10 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 4.88 -3.82 1.61 2.88 -1.26 -4.96 113.62 112.95 2yus n SER 49 Ca 0.00 -3.74 -0.17 0.00 -1.33 0.00 0.00 58.87 53.63 2yus n SER 49 Cb 0.00 -0.36 -0.16 0.00 -0.75 0.00 0.00 64.21 62.94 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 0.36 0.85 -1.46 1.81 -1.26 -5.13 118.95 110.52 2yus s ARG 50 Ca 0.50 0.06 -0.13 0.00 -1.72 0.00 0.00 55.73 54.45 2yus s ARG 50 Cb 0.41 -0.53 0.11 0.00 -0.45 0.00 0.00 34.95 34.49 2yus s ARG 50 CO 0.01 -0.13 1.19 0.95 -0.68 0.00 0.00 175.30 176.63 2yus s THR 51 N 1.03 2.00 0.09 0.02 -4.23 -1.26 -4.39 115.64 108.89 2yus s THR 51 Ca -0.10 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 60.06 2yus s THR 51 Cb -0.14 -2.96 -0.17 0.00 1.34 0.00 0.00 72.50 70.58 2yus s THR 51 CO -0.02 0.00 1.57 1.56 -0.54 0.00 0.00 174.62 177.20 2yus h GLN 52 N -1.22 -0.94 0.22 3.99 7.50 -1.90 -1.14 115.11 121.63 2yus h GLN 52 Ca -0.46 0.06 0.00 0.00 0.50 0.00 0.00 58.65 58.75 2yus h GLN 52 Cb 1.32 0.21 -0.04 0.00 0.05 0.00 0.00 27.48 29.02 2yus h GLN 52 CO 0.61 -0.63 -0.52 -0.44 -1.50 0.00 0.00 178.83 176.36 2yus h ASP 53 N -0.98 -1.52 -0.84 1.46 3.32 -1.95 -1.26 116.42 114.65 2yus h ASP 53 Ca -0.06 0.15 0.18 0.00 0.02 0.00 0.00 57.03 57.32 2yus h ASP 53 Cb 0.85 0.55 -0.16 0.00 0.22 0.00 0.00 39.33 40.79 2yus h ASP 53 CO -0.05 -0.58 -0.17 -0.33 -1.72 0.00 0.00 179.24 176.39 2yus h GLU 54 N -0.81 0.01 -0.42 3.56 4.39 -1.93 0.30 114.58 119.68 2yus h GLU 54 Ca -0.02 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2yus h GLU 54 Cb 0.78 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.39 2yus h GLU 54 CO -0.22 0.01 0.19 0.00 -1.16 0.00 0.00 179.01 177.82 2yus h ILE 56 N 0.39 0.96 0.51 0.00 2.04 0.68 -2.24 117.51 119.86 2yus h ILE 56 Ca 0.19 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2yus h ILE 56 Cb 0.12 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2yus h ILE 56 CO -0.15 0.09 -0.34 -0.07 0.00 0.00 0.00 178.15 177.67 2yus h LEU 57 N 0.47 -0.88 -1.03 1.44 3.38 -0.66 -1.83 115.31 116.20 2yus h LEU 57 Ca 0.21 0.05 0.35 0.00 0.09 0.00 0.00 57.88 58.58 2yus h LEU 57 Cb 0.11 0.26 -0.15 0.00 0.09 0.00 0.00 40.66 40.97 2yus h LEU 57 CO -0.15 -0.51 0.58 -0.74 0.09 0.00 0.00 178.44 177.72 2yus h HIS 58 N -0.81 0.88 0.73 1.13 2.76 -1.28 0.19 115.15 118.75 2yus h HIS 58 Ca -0.07 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 2yus h HIS 58 Cb 0.65 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 29.39 2yus h HIS 58 CO -0.07 -0.24 -0.35 0.35 -1.30 0.00 0.00 177.93 176.32 2yus h PHE 59 N 0.24 -0.91 -0.73 5.26 3.57 -0.97 -2.87 116.94 120.54 2yus h PHE 59 Ca 0.76 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 62.51 2yus h PHE 59 Cb 1.85 0.30 -0.13 0.00 2.79 0.00 0.00 35.95 40.76 2yus h PHE 59 CO -0.01 -0.55 0.28 1.28 -2.23 0.00 0.00 178.31 177.08 2yus n LEU 60 N -5.48 0.15 0.18 0.59 4.77 0.05 -0.27 117.00 116.99 2yus n LEU 60 Ca -0.14 1.22 -0.07 0.00 -0.03 0.00 0.00 56.01 56.98 2yus n LEU 60 Cb 0.40 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2yus n LEU 60 CO 0.37 -1.32 0.37 0.03 -1.33 0.00 0.00 177.39 175.51 2yus h ARG 61 N 0.00 -0.47 -4.78 3.23 -0.00 -1.44 -3.45 114.38 107.47 2yus h ARG 61 Ca 0.56 0.03 -0.48 0.00 -0.50 0.00 0.00 59.98 59.60 2yus h ARG 61 Cb 1.41 0.11 0.15 0.00 0.00 0.00 0.00 29.97 31.63 2yus h ARG 61 CO -0.60 -0.31 -0.95 1.28 0.00 0.00 0.00 179.97 179.39 2yus n LEU 62 N -3.68 -3.03 -4.68 3.04 4.77 0.63 -4.78 117.00 109.27 2yus n LEU 62 Ca -0.06 0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 2yus n LEU 62 Cb 0.19 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 2yus n LEU 62 CO 0.15 -3.87 1.18 -2.16 -1.33 0.00 0.00 177.39 171.35 2yus s PRO 63 N -0.85 4.25 0.12 3.23 0.04 -1.26 -4.92 135.00 135.62 2yus s PRO 63 Ca 0.45 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 63.29 2yus s PRO 63 Cb -0.38 -3.65 -0.12 0.00 0.04 0.00 0.00 34.50 30.38 2yus s PRO 63 CO 0.53 -0.65 0.43 1.51 0.04 0.00 0.00 177.00 178.87 2yus n ILE 64 N 4.85 1.20 -1.32 0.56 3.06 -1.26 -4.62 119.36 121.83 2yus n ILE 64 Ca 0.14 -0.30 -0.49 0.00 -2.50 0.00 0.00 62.75 59.60 2yus n ILE 64 Cb 0.43 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.56 2yus n ILE 64 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2yus n GLU 65 N 0.77 0.00 -2.74 9.51 2.13 -1.26 -4.88 120.64 124.17 2yus n GLU 65 Ca 0.13 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.58 2yus n GLU 65 Cb 0.16 -1.17 -0.06 0.00 0.27 0.00 0.00 31.44 30.64 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 -0.38 7.29 -0.02 4.31 1.01 -1.26 -5.00 116.67 122.63 2yus s ASP 66 Ca 0.72 1.88 -0.25 0.00 0.71 0.00 0.00 52.55 55.61 2yus s ASP 66 Cb -1.02 -2.58 -0.20 0.00 1.01 0.00 0.00 42.92 40.12 2yus s ASP 66 CO 0.51 -0.10 1.24 1.55 0.21 0.00 0.00 175.17 178.58 2yus h PRO 67 N 3.18 -0.04 -0.53 8.23 0.13 -2.02 -3.45 132.00 137.50 2yus h PRO 67 Ca -0.47 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.84 2yus h PRO 67 Cb 1.20 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 2yus h PRO 67 CO 0.65 0.43 -0.07 1.52 -0.23 0.00 0.00 178.00 180.30 2yus s TYR 68 N -4.22 -0.92 -0.11 1.56 -0.85 -1.26 -5.15 117.35 106.40 2yus s TYR 68 Ca -0.16 0.74 -0.04 0.00 -0.52 0.00 0.00 57.07 57.10 2yus s TYR 68 Cb 0.02 0.24 0.05 0.00 0.38 0.00 0.00 41.96 42.65 2yus s TYR 68 CO 0.65 -0.52 0.22 -0.51 -1.52 0.00 0.00 175.55 173.87 2yus s LEU 69 N 2.92 -0.02 -1.14 -3.49 1.02 -1.26 -4.88 118.68 111.83 2yus s LEU 69 Ca 0.13 0.47 -0.06 0.00 0.02 0.00 0.00 54.13 54.69 2yus s LEU 69 Cb -0.08 0.54 0.01 0.00 0.02 0.00 0.00 46.19 46.67 2yus s LEU 69 CO -0.19 -0.22 0.99 -0.62 0.02 0.00 0.00 176.35 176.33 2yus n GLU 70 N 5.06 -6.64 -3.17 1.70 1.02 -1.26 -4.98 120.64 112.37 2yus n GLU 70 Ca -0.11 0.71 -0.39 0.00 -0.02 0.00 0.00 57.16 57.36 2yus n GLU 70 Cb 0.50 -5.40 -0.06 0.00 -0.02 0.00 0.00 31.44 26.46 2yus n GLU 70 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2yus s ASN 71 N -3.44 7.18 0.29 1.62 4.22 -1.26 -5.08 114.94 118.47 2yus s ASN 71 Ca 0.41 1.40 0.08 0.00 -2.14 0.00 0.00 52.86 52.62 2yus s ASN 71 Cb -0.18 -2.41 -0.06 0.00 1.28 0.00 0.00 41.25 39.88 2yus s ASN 71 CO 0.63 0.25 -0.10 -0.55 -2.04 0.00 0.00 177.10 175.28 2yus s SER 72 N -1.14 3.13 0.92 3.54 0.15 -1.26 -5.14 113.70 113.89 2yus s SER 72 Ca 0.32 -1.15 -0.12 0.00 0.70 0.00 0.00 55.95 55.70 2yus s SER 72 Cb -0.21 -0.23 0.14 0.00 -1.71 0.00 0.00 66.02 64.01 2yus s SER 72 CO 0.22 -0.23 1.10 1.51 1.20 0.00 0.00 173.24 177.03 2yus s ASP 73 N -3.48 3.33 0.45 5.45 1.47 -1.26 -5.08 116.67 117.55 2yus s ASP 73 Ca 0.30 1.32 0.05 0.00 1.18 0.00 0.00 52.55 55.40 2yus s ASP 73 Cb 0.02 -1.99 -0.05 0.00 -0.34 0.00 0.00 42.92 40.55 2yus s ASP 73 CO 0.13 -2.70 0.05 -0.44 0.68 0.00 0.00 175.17 172.89 2yus s SER 74 N -3.55 4.08 0.00 2.11 0.01 -1.26 -5.12 113.70 109.96 2yus s SER 74 Ca 0.64 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2yus s SER 74 Cb -0.17 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2yus s SER 74 CO 0.56 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2yus n GLY 75 N -1.14 -0.50 3.74 3.44 0.00 -1.26 -5.13 105.19 104.35 2yus n GLY 75 Ca -0.08 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.89 4.40 0.92 1.61 0.04 -1.26 -5.01 135.00 133.81 2yus s PRO 76 Ca 0.00 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 2yus s PRO 76 Cb 0.00 -3.19 0.15 0.00 0.04 0.00 0.00 34.50 31.50 2yus s PRO 76 CO 0.00 -0.22 1.09 -1.12 0.04 0.00 0.00 177.00 176.79 2yus s SER 77 N 0.21 3.11 -0.09 6.66 0.01 -1.26 -5.05 113.70 117.28 2yus s SER 77 Ca 0.55 1.69 0.03 0.00 1.31 0.00 0.00 55.95 59.53 2yus s SER 77 Cb -0.36 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2yus s SER 77 CO 0.40 -2.90 -0.21 -0.94 0.41 0.00 0.00 173.24 170.00 2yus s SER 78 N -3.12 2.76 0.00 2.44 1.04 -1.26 -5.33 113.70 110.23 2yus s SER 78 Ca 0.65 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2yus s SER 78 Cb -0.20 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.66 2yus s SER 78 CO 0.58 0.12 0.49 0.61 0.98 0.00 0.00 173.24 176.03