#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 5.37 -0.08 1.61 1.04 -1.26 -5.13 113.70 115.25 2yus s SER 2 Ca 0.00 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.90 2yus s SER 2 Cb 0.00 -0.70 0.01 0.00 0.10 0.00 0.00 66.02 65.43 2yus s SER 2 CO 0.00 -0.64 -0.17 -0.44 0.98 0.00 0.00 173.24 172.97 2yus s SER 3 N -4.20 2.33 -0.09 7.02 0.01 -1.26 -5.03 113.70 112.49 2yus s SER 3 Ca 0.49 -0.41 -0.10 0.00 1.31 0.00 0.00 55.95 57.25 2yus s SER 3 Cb -0.06 -1.07 -0.28 0.00 0.21 0.00 0.00 66.02 64.81 2yus s SER 3 CO 0.30 0.07 0.52 1.23 0.41 0.00 0.00 173.24 175.77 2yus h GLY 4 N 6.96 0.37 -6.27 3.44 0.00 -2.07 -3.47 103.07 102.03 2yus h GLY 4 Ca -0.27 -0.94 -0.47 0.00 0.00 0.00 0.00 47.33 45.65 2yus h GLY 4 CO 0.48 0.82 -0.70 -1.14 0.00 0.00 0.00 176.54 176.00 2yus n SER 5 N -3.59 -0.89 -4.66 0.19 3.41 -1.26 -4.81 113.62 102.01 2yus n SER 5 Ca -0.28 -0.95 -0.43 0.00 -0.26 0.00 0.00 58.87 56.95 2yus n SER 5 Cb 1.04 -1.20 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 2yus n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yus s SER 6 N -3.01 7.12 -0.20 4.04 1.04 -1.26 -4.34 113.70 117.08 2yus s SER 6 Ca 0.49 1.41 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 2yus s SER 6 Cb -0.28 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.30 2yus s SER 6 CO 0.77 -0.64 0.25 0.61 0.98 0.00 0.00 173.24 175.22 2yus n GLY 7 N 3.29 -1.42 0.25 7.32 0.00 -1.26 -4.89 105.19 108.47 2yus n GLY 7 Ca 0.12 0.50 0.03 0.00 0.00 0.00 0.00 46.02 46.66 2yus n GLY 7 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2yus h THR 8 N 1.08 0.48 0.00 2.61 2.02 -1.99 -3.29 112.91 113.82 2yus h THR 8 Ca 0.00 -0.05 -0.34 0.00 0.77 0.00 0.00 66.41 66.79 2yus h THR 8 Cb 0.42 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 2yus h THR 8 CO 0.09 0.03 -2.15 -0.11 0.37 0.00 0.00 175.52 173.75 2yus n LEU 9 N -5.26 1.82 -3.62 2.58 0.00 -1.26 -5.10 117.00 106.16 2yus n LEU 9 Ca 0.11 0.17 -0.07 0.00 0.00 0.00 0.00 56.01 56.22 2yus n LEU 9 Cb 0.40 -0.63 -0.02 0.00 0.00 0.00 0.00 43.42 43.17 2yus n LEU 9 CO 0.10 0.53 0.64 0.00 0.00 0.00 0.00 177.39 178.66 2yus s ALA 10 N -2.38 -1.66 -0.22 1.96 0.00 -1.24 -5.15 121.76 113.06 2yus s ALA 10 Ca -0.29 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 2yus s ALA 10 Cb 0.10 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 2yus s ALA 10 CO 0.39 -0.87 0.03 -1.59 0.00 0.00 0.00 175.76 173.71 2yus s LYS 11 N -3.36 3.64 0.20 0.00 -2.85 -1.26 -4.62 119.74 111.49 2yus s LYS 11 Ca 0.08 -0.50 -0.12 0.00 -1.00 0.00 0.00 55.97 54.43 2yus s LYS 11 Cb -0.02 -3.18 -0.00 0.00 -2.06 0.00 0.00 37.83 32.57 2yus s LYS 11 CO -0.04 -0.07 0.40 -1.54 0.10 0.00 0.00 175.35 174.20 2yus s SER 12 N 1.25 -0.07 -0.15 0.03 1.04 -1.26 -5.10 113.70 109.44 2yus s SER 12 Ca 0.04 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.53 2yus s SER 12 Cb -0.15 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 2yus s SER 12 CO 0.02 -1.02 -0.18 0.29 0.98 0.00 0.00 173.24 173.34 2yus n LYS 13 N -0.30 0.47 0.00 4.02 5.02 -1.26 -5.10 118.16 121.00 2yus n LYS 13 Ca -0.05 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2yus n LYS 13 Cb 0.63 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2yus n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yus n GLY 14 N 1.58 1.93 3.89 0.72 0.00 -1.26 -5.16 105.19 106.90 2yus n GLY 14 Ca -0.10 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.00 3.40 0.20 4.61 0.00 -1.26 -5.10 121.76 122.61 2yus s ALA 15 Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 2yus s ALA 15 Cb 0.00 -2.60 0.05 0.00 0.00 0.00 0.00 23.12 20.57 2yus s ALA 15 CO 0.00 -0.17 0.69 -1.12 0.00 0.00 0.00 175.76 175.16 2yus s SER 16 N -3.67 -0.41 -0.04 0.00 0.01 -1.26 -5.03 113.70 103.29 2yus s SER 16 Ca 0.48 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.47 2yus s SER 16 Cb -0.10 0.63 -0.02 0.00 0.21 0.00 0.00 66.02 66.74 2yus s SER 16 CO 0.38 -1.09 2.29 0.00 0.41 0.00 0.00 173.24 175.23 2yus n ALA 17 N -0.41 4.56 0.00 1.44 0.00 -1.26 -4.95 120.51 119.90 2yus n ALA 17 Ca -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2yus n ALA 17 Cb 0.62 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.53 -1.87 3.06 0.00 0.00 -1.26 -4.81 105.19 101.83 2yus n GLY 18 Ca 0.11 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 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 2.20 0.14 1.61 3.00 -1.26 -5.09 118.95 119.55 2yus s ARG 19 Ca 0.00 -1.28 -0.34 0.00 0.00 0.00 0.00 55.73 54.10 2yus s ARG 19 Cb 0.00 -2.84 -0.14 0.00 0.00 0.00 0.00 34.95 31.97 2yus s ARG 19 CO 0.00 -0.56 1.58 -0.85 0.00 0.00 0.00 175.30 175.48 2yus n GLU 20 N 4.47 2.08 -1.62 3.54 0.28 -1.26 -4.90 120.64 123.23 2yus n GLU 20 Ca -0.14 0.75 -0.38 0.00 -0.16 0.00 0.00 57.16 57.23 2yus n GLU 20 Cb 0.43 -2.52 0.05 0.00 1.43 0.00 0.00 31.44 30.82 2yus n GLU 20 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2yus n TRP 21 N 3.58 0.90 -4.34 -1.84 7.02 -1.26 -5.01 117.44 116.49 2yus n TRP 21 Ca 0.17 0.45 -0.27 0.00 -1.02 0.00 0.00 57.50 56.83 2yus n TRP 21 Cb 0.28 -2.16 -0.11 0.00 -2.42 0.00 0.00 31.31 26.91 2yus n TRP 21 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2yus s THR 22 N -1.48 2.83 0.39 -0.99 -4.23 -1.26 -5.00 115.64 105.90 2yus s THR 22 Ca 0.73 -1.77 0.24 0.00 -1.18 0.00 0.00 61.69 59.71 2yus s THR 22 Cb -0.44 -2.37 0.40 0.00 1.34 0.00 0.00 72.50 71.44 2yus s THR 22 CO 0.49 -0.08 1.60 1.05 -0.54 0.00 0.00 174.62 177.14 2yus h GLU 23 N 3.14 0.06 0.06 3.99 9.09 -2.00 0.55 114.58 129.47 2yus h GLU 23 Ca -0.47 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.93 2yus h GLU 23 Cb 1.20 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2yus h GLU 23 CO 0.51 0.04 -0.03 0.37 0.05 0.00 0.00 179.01 179.95 2yus h GLN 24 N 0.07 -0.07 0.32 1.06 5.75 -2.00 -2.81 115.11 117.41 2yus h GLN 24 Ca 0.83 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 59.34 2yus h GLN 24 Cb 2.34 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 30.89 2yus h GLN 24 CO -0.62 0.02 -0.29 0.93 -2.65 0.00 0.00 178.83 176.22 2yus h GLU 25 N -0.15 -0.60 -0.87 1.69 4.39 -0.30 -2.03 114.58 116.71 2yus h GLU 25 Ca -0.01 0.04 0.14 0.00 0.34 0.00 0.00 59.36 59.87 2yus h GLU 25 Cb 0.12 0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 28.77 2yus h GLU 25 CO 0.01 -0.40 -0.38 1.15 -1.16 0.00 0.00 179.01 178.24 2yus h THR 26 N -0.62 0.05 -0.21 1.13 2.02 -1.34 0.18 112.91 114.12 2yus h THR 26 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 2yus h THR 26 Cb 0.56 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2yus h THR 26 CO -0.04 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.80 2yus h LEU 27 N -0.05 -0.03 -0.35 2.58 3.38 -1.28 -2.70 115.31 116.85 2yus h LEU 27 Ca 0.31 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.39 2yus h LEU 27 Cb 0.58 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2yus h LEU 27 CO -0.89 0.01 -0.18 -0.07 0.09 0.00 0.00 178.44 177.40 2yus h LEU 28 N 0.10 -0.61 -0.50 1.67 3.38 0.00 -1.30 115.31 118.04 2yus h LEU 28 Ca 0.09 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.29 2yus h LEU 28 Cb 0.10 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 2yus h LEU 28 CO -0.14 -0.22 -0.41 0.25 0.09 0.00 0.00 178.44 178.02 2yus h LEU 29 N -0.13 -1.38 -0.20 1.67 5.85 -0.73 -0.98 115.31 119.42 2yus h LEU 29 Ca 0.18 0.23 0.04 0.00 0.84 0.00 0.00 57.88 59.17 2yus h LEU 29 Cb 0.40 0.63 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2yus h LEU 29 CO -0.43 -0.34 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.19 2yus h LEU 30 N -0.25 -0.23 -0.50 2.25 3.38 -1.23 0.28 115.31 119.00 2yus h LEU 30 Ca 0.17 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.26 2yus h LEU 30 Cb 0.57 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 2yus h LEU 30 CO -0.63 -0.09 -0.46 -0.33 0.09 0.00 0.00 178.44 177.02 2yus h GLU 31 N -0.03 -0.20 -0.59 1.13 4.39 -0.07 -0.91 114.58 118.30 2yus h GLU 31 Ca 0.10 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 2yus h GLU 31 Cb 0.18 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2yus h GLU 31 CO -0.22 -0.13 0.15 0.00 -1.16 0.00 0.00 179.01 177.65 2yus h ALA 32 N -0.12 0.78 0.00 3.43 0.00 -1.19 -2.35 119.26 119.81 2yus h ALA 32 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2yus h ALA 32 Cb 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2yus h ALA 32 CO -0.58 0.48 0.50 -0.07 0.00 0.00 0.00 179.25 179.58 2yus h LEU 33 N 0.86 0.00 0.17 0.00 3.38 0.90 0.83 115.31 121.45 2yus h LEU 33 Ca 0.19 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.82 2yus h LEU 33 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2yus h LEU 33 CO 0.00 0.00 -1.69 -0.33 0.09 0.00 0.00 178.44 176.51 2yus h GLU 34 N 0.00 0.37 0.00 1.13 4.39 -0.77 -3.08 114.58 116.62 2yus h GLU 34 Ca 0.00 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.07 2yus h GLU 34 Cb 0.99 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2yus h GLU 34 CO 0.00 1.30 -0.54 -1.33 -1.16 0.00 0.00 179.01 177.28 2yus n MET 35 N -3.66 0.46 -0.80 2.33 2.81 0.15 -4.37 117.12 114.04 2yus n MET 35 Ca -0.25 0.51 -0.16 0.00 -1.81 0.00 0.00 57.70 55.99 2yus n MET 35 Cb 1.04 -1.68 0.09 0.00 -0.71 0.00 0.00 33.22 31.96 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 -4.61 1.84 -0.08 2.03 4.01 0.24 -4.72 117.16 115.88 2yus n TYR 36 Ca -0.08 -1.56 -0.02 0.00 -0.16 0.00 0.00 57.90 56.09 2yus n TYR 36 Cb 0.28 -0.78 -0.02 0.00 -0.31 0.00 0.00 39.34 38.51 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 -0.32 -0.08 -0.03 -0.72 4.81 -1.15 -1.22 118.16 119.45 2yus n LYS 37 Ca 0.36 0.81 -0.16 0.00 -0.87 0.00 0.00 58.31 58.45 2yus n LYS 37 Cb 1.02 -1.21 -0.09 0.00 0.02 0.00 0.00 35.03 34.77 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 0.65 -0.45 3.14 2.03 -1.85 -3.40 116.42 116.53 2yus h ASP 38 Ca 0.03 -0.65 -0.21 0.00 -0.73 0.00 0.00 57.03 55.48 2yus h ASP 38 Cb 0.08 -0.19 -0.03 0.00 -0.83 0.00 0.00 39.33 38.36 2yus h ASP 38 CO -0.18 1.19 0.61 -1.81 -1.03 0.00 0.00 179.24 178.02 2yus s ASP 39 N -6.72 4.56 0.13 4.15 1.11 -0.36 -4.73 116.67 114.80 2yus s ASP 39 Ca -0.12 -0.98 -0.14 0.00 0.18 0.00 0.00 52.55 51.49 2yus s ASP 39 Cb 0.06 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 2yus s ASP 39 CO 0.83 -3.45 1.54 -0.50 1.18 0.00 0.00 175.17 174.77 2yus h TRP 40 N 11.01 0.86 -0.89 4.23 4.06 -1.78 -3.10 115.95 130.34 2yus h TRP 40 Ca 0.11 -0.18 0.19 0.00 2.06 0.00 0.00 58.89 61.07 2yus h TRP 40 Cb 0.98 -0.21 -0.17 0.00 -1.00 0.00 0.00 29.16 28.76 2yus h TRP 40 CO 1.17 0.88 -0.17 -1.71 -3.56 0.00 0.00 178.44 175.05 2yus n ASN 41 N -4.35 -0.27 -0.03 -3.49 5.15 -1.26 0.30 115.26 111.30 2yus n ASN 41 Ca -0.01 1.52 -0.13 0.00 -0.60 0.00 0.00 54.58 55.36 2yus n ASN 41 Cb 0.35 -0.48 -0.08 0.00 -0.53 0.00 0.00 39.78 39.04 2yus n ASN 41 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2yus h LYS 42 N 0.00 0.16 -0.86 1.20 1.79 -1.91 -3.25 116.57 113.71 2yus h LYS 42 Ca 0.45 -0.08 0.15 0.00 -2.18 0.00 0.00 60.65 58.99 2yus h LYS 42 Cb 0.75 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.25 2yus h LYS 42 CO -0.90 0.58 -0.33 0.28 -1.08 0.00 0.00 179.45 178.00 2yus h VAL 43 N -0.25 0.08 -0.56 0.50 2.07 -0.08 0.31 116.25 118.32 2yus h VAL 43 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 2yus h VAL 43 Cb 0.54 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.28 2yus h VAL 43 CO 0.01 0.00 -0.19 0.77 0.02 0.00 0.00 177.57 178.18 2yus h SER 44 N -0.05 -0.68 0.44 0.57 4.64 -1.32 -1.17 113.55 115.98 2yus h SER 44 Ca 0.34 0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.82 2yus h SER 44 Cb 0.60 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2yus h SER 44 CO -0.89 -0.23 -0.21 -0.33 -0.87 0.00 0.00 176.83 174.31 2yus h GLU 45 N -0.06 -0.56 -0.95 4.77 4.39 -0.76 -3.14 114.58 118.27 2yus h GLU 45 Ca 0.26 0.04 0.27 0.00 0.34 0.00 0.00 59.36 60.27 2yus h GLU 45 Cb 0.46 0.13 -0.18 0.00 -0.10 0.00 0.00 28.75 29.06 2yus h GLU 45 CO -0.60 -0.26 0.06 1.58 -1.16 0.00 0.00 179.01 178.63 2yus n HIS 46 N -5.22 0.64 0.24 4.33 -0.00 0.80 -0.79 115.22 115.21 2yus n HIS 46 Ca -0.10 1.15 -0.13 0.00 0.46 0.00 0.00 57.72 59.10 2yus n HIS 46 Cb 0.30 -1.24 -0.07 0.00 -0.12 0.00 0.00 29.99 28.86 2yus n HIS 46 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2yus h VAL 47 N 0.00 0.00 0.00 3.57 2.07 -1.19 -3.49 116.25 117.21 2yus h VAL 47 Ca 0.59 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.11 2yus h VAL 47 Cb 1.26 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2yus h VAL 47 CO -0.88 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.32 2yus n GLY 48 N -1.40 0.69 2.53 2.17 0.00 0.03 -4.94 105.19 104.27 2yus n GLY 48 Ca -0.09 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 3.81 -4.20 1.61 2.88 -1.26 -4.87 113.62 111.59 2yus n SER 49 Ca 0.00 -3.45 -0.19 0.00 -1.33 0.00 0.00 58.87 53.91 2yus n SER 49 Cb 0.00 -0.48 -0.12 0.00 -0.75 0.00 0.00 64.21 62.86 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 -3.42 0.89 0.07 -1.46 1.81 -1.26 -5.11 118.95 110.47 2yus s ARG 50 Ca 0.42 -1.04 -0.01 0.00 -1.72 0.00 0.00 55.73 53.38 2yus s ARG 50 Cb 0.41 -0.90 -0.04 0.00 -0.45 0.00 0.00 34.95 33.97 2yus s ARG 50 CO -0.13 0.20 0.24 -0.08 -0.68 0.00 0.00 175.30 174.85 2yus s THR 51 N -1.46 5.35 0.06 0.02 -1.32 -1.26 -4.45 115.64 112.58 2yus s THR 51 Ca 0.01 -0.26 -0.11 0.00 -1.21 0.00 0.00 61.69 60.12 2yus s THR 51 Cb -0.09 -3.62 -0.03 0.00 -1.51 0.00 0.00 72.50 67.26 2yus s THR 51 CO 0.03 0.15 0.93 1.67 -2.21 0.00 0.00 174.62 175.19 2yus n GLN 52 N 0.36 -0.16 -0.05 7.08 7.27 -1.26 -1.27 117.38 129.35 2yus n GLN 52 Ca -0.05 0.92 -0.02 0.00 0.07 0.00 0.00 57.00 57.92 2yus n GLN 52 Cb 0.51 -1.37 -0.02 0.00 2.41 0.00 0.00 30.24 31.78 2yus n GLN 52 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2yus h ASP 53 N 0.00 -0.38 -0.85 1.69 3.58 -1.96 -0.53 116.42 117.98 2yus h ASP 53 Ca 0.06 0.05 0.15 0.00 0.42 0.00 0.00 57.03 57.71 2yus h ASP 53 Cb 0.15 0.16 -0.15 0.00 1.72 0.00 0.00 39.33 41.21 2yus h ASP 53 CO -0.34 -0.06 -0.28 -0.62 -2.88 0.00 0.00 179.24 175.06 2yus n GLU 54 N -3.32 -0.15 -0.24 0.28 -0.58 -0.39 0.15 120.64 116.39 2yus n GLU 54 Ca -0.00 1.31 0.03 0.00 -0.42 0.00 0.00 57.16 58.08 2yus n GLU 54 Cb 0.06 -1.95 0.16 0.00 -0.57 0.00 0.00 31.44 29.13 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 0.50 1.22 0.70 0.00 2.04 0.24 -2.84 117.51 119.37 2yus h ILE 56 Ca 0.37 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2yus h ILE 56 Cb 0.49 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2yus h ILE 56 CO -0.34 0.27 -0.33 -0.07 0.00 0.00 0.00 178.15 177.68 2yus h LEU 57 N 0.77 -0.79 -0.98 1.44 3.38 0.04 -2.76 115.31 116.41 2yus h LEU 57 Ca 0.19 -0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.50 2yus h LEU 57 Cb 0.20 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 40.98 2yus h LEU 57 CO -0.02 -0.45 0.34 -0.74 0.09 0.00 0.00 178.44 177.67 2yus h HIS 58 N -1.14 0.50 0.95 1.13 2.76 -0.83 0.40 115.15 118.92 2yus h HIS 58 Ca -0.10 0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 2yus h HIS 58 Cb 0.75 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.66 2yus h HIS 58 CO -0.00 -0.40 -0.46 0.35 -1.30 0.00 0.00 177.93 176.12 2yus h PHE 59 N 0.06 -1.19 -1.26 5.26 3.04 -1.38 -2.74 116.94 118.73 2yus h PHE 59 Ca 0.72 -0.03 0.41 0.00 3.98 0.00 0.00 57.97 63.06 2yus h PHE 59 Cb 1.73 0.39 -0.13 0.00 2.56 0.00 0.00 35.95 40.50 2yus h PHE 59 CO -0.20 -0.74 0.80 -0.07 -2.02 0.00 0.00 178.31 176.09 2yus h LEU 60 N -1.34 0.28 0.37 0.59 3.38 -0.64 0.21 115.31 118.16 2yus h LEU 60 Ca -0.13 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2yus h LEU 60 Cb 0.98 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2yus h LEU 60 CO 0.22 -0.17 -0.27 0.03 0.09 0.00 0.00 178.44 178.33 2yus h ARG 61 N 0.12 -0.62 -4.72 1.13 2.47 -1.10 -3.44 114.38 108.22 2yus h ARG 61 Ca 0.80 0.04 -0.49 0.00 -1.26 0.00 0.00 59.98 59.07 2yus h ARG 61 Cb 2.42 0.14 0.12 0.00 -1.65 0.00 0.00 29.97 31.01 2yus h ARG 61 CO -0.44 -0.41 -0.75 1.28 0.56 0.00 0.00 179.97 180.21 2yus n LEU 62 N -5.40 -2.28 -4.68 3.04 4.77 0.75 -4.78 117.00 108.42 2yus n LEU 62 Ca -0.10 0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 2yus n LEU 62 Cb 0.30 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2yus n LEU 62 CO 0.32 -3.32 1.18 -2.16 -1.33 0.00 0.00 177.39 172.08 2yus s PRO 63 N -0.79 4.25 0.35 3.23 0.04 -1.26 -4.91 135.00 135.92 2yus s PRO 63 Ca 0.47 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.58 2yus s PRO 63 Cb -0.50 -3.64 0.70 0.00 0.04 0.00 0.00 34.50 31.09 2yus s PRO 63 CO 0.49 -0.64 1.96 0.97 0.04 0.00 0.00 177.00 179.82 2yus h ILE 64 N 5.03 1.05 -0.55 0.56 -0.00 -1.90 -3.36 117.51 118.34 2yus h ILE 64 Ca -0.38 -0.28 -0.21 0.00 -0.00 0.00 0.00 64.86 63.99 2yus h ILE 64 Cb 1.18 0.17 -0.03 0.00 -0.00 0.00 0.00 36.82 38.13 2yus h ILE 64 CO 0.92 0.15 0.57 -1.61 -0.00 0.00 0.00 178.15 178.18 2yus s GLU 65 N -5.71 2.22 0.09 2.19 2.02 -1.26 -4.93 118.70 113.31 2yus s GLU 65 Ca -0.10 -0.26 -0.18 0.00 0.02 0.00 0.00 54.97 54.44 2yus s GLU 65 Cb 0.19 -5.02 -0.07 0.00 0.10 0.00 0.00 34.13 29.33 2yus s GLU 65 CO 0.77 -3.89 0.57 0.34 0.02 0.00 0.00 175.26 173.07 2yus s ASP 66 N 8.48 7.02 0.09 -0.19 2.15 -1.26 -5.00 116.67 127.95 2yus s ASP 66 Ca 0.76 1.23 -0.16 0.00 0.43 0.00 0.00 52.55 54.81 2yus s ASP 66 Cb -0.07 -2.35 -0.10 0.00 -0.30 0.00 0.00 42.92 40.11 2yus s ASP 66 CO 0.05 0.23 1.41 1.55 -0.17 0.00 0.00 175.17 178.24 2yus h PRO 67 N 4.31 0.63 -3.40 4.34 0.13 -1.95 -3.38 132.00 132.68 2yus h PRO 67 Ca -0.49 -0.33 -0.65 0.00 -0.87 0.00 0.00 66.00 63.65 2yus h PRO 67 Cb 1.21 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2yus h PRO 67 CO 0.64 0.93 -0.55 0.71 -0.23 0.00 0.00 178.00 179.51 2yus s TYR 68 N -4.36 3.28 -0.34 1.56 1.51 -1.26 -4.90 117.35 112.84 2yus s TYR 68 Ca -0.13 -3.08 0.08 0.00 -1.01 0.00 0.00 57.07 52.93 2yus s TYR 68 Cb 0.08 -2.91 0.58 0.00 -0.11 0.00 0.00 41.96 39.60 2yus s TYR 68 CO 0.81 -0.75 1.65 1.47 -1.11 0.00 0.00 175.55 177.62 2yus n LEU 69 N 3.07 5.18 -4.27 -1.29 -0.00 -1.26 -4.93 117.00 113.50 2yus n LEU 69 Ca 0.07 -3.64 -0.34 0.00 -0.00 0.00 0.00 56.01 52.10 2yus n LEU 69 Cb 0.34 -0.71 -0.14 0.00 -0.00 0.00 0.00 43.42 42.90 2yus n LEU 69 CO 0.33 1.12 -0.42 -1.61 -0.00 0.00 0.00 177.39 176.82 2yus s GLU 70 N -3.22 3.29 -0.37 1.47 2.02 -1.26 -5.06 118.70 115.56 2yus s GLU 70 Ca 0.50 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.81 2yus s GLU 70 Cb 0.43 -2.89 0.13 0.00 0.10 0.00 0.00 34.13 31.89 2yus s GLU 70 CO 0.05 -0.18 0.19 0.54 0.02 0.00 0.00 175.26 175.88 2yus s ASN 71 N 1.39 3.51 -0.45 -0.19 4.22 -1.26 -5.07 114.94 117.09 2yus s ASN 71 Ca 0.05 -2.15 0.03 0.00 -2.14 0.00 0.00 52.86 48.65 2yus s ASN 71 Cb -0.14 -0.73 0.12 0.00 1.28 0.00 0.00 41.25 41.78 2yus s ASN 71 CO -0.05 -0.33 0.19 -0.44 -2.04 0.00 0.00 177.10 174.43 2yus s SER 72 N 1.01 4.68 -0.30 3.54 0.01 -1.26 -5.01 113.70 116.37 2yus s SER 72 Ca 0.15 -2.57 -0.15 0.00 1.31 0.00 0.00 55.95 54.70 2yus s SER 72 Cb -0.22 -1.68 0.18 0.00 0.21 0.00 0.00 66.02 64.51 2yus s SER 72 CO -0.08 -0.33 1.09 1.51 0.41 0.00 0.00 173.24 175.83 2yus s ASP 73 N 0.48 -0.39 -0.65 2.44 -4.77 -1.26 -5.10 116.67 107.42 2yus s ASP 73 Ca 0.14 0.32 -0.31 0.00 -3.30 0.00 0.00 52.55 49.39 2yus s ASP 73 Cb -0.22 1.36 -0.15 0.00 -1.09 0.00 0.00 42.92 42.82 2yus s ASP 73 CO -0.04 -0.07 2.46 -1.20 0.70 0.00 0.00 175.17 177.01 2yus n SER 74 N 5.27 1.40 0.00 2.11 7.64 -1.26 -4.86 113.62 123.92 2yus n SER 74 Ca -0.07 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2yus n SER 74 Cb 0.54 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 6.42 1.43 3.57 0.23 0.00 -1.26 -4.63 105.19 110.95 2yus n GLY 75 Ca 0.50 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 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 2.51 0.64 1.61 0.04 -1.26 -4.95 135.00 133.59 2yus s PRO 76 Ca 0.00 -0.88 -0.13 0.00 0.04 0.00 0.00 61.00 60.03 2yus s PRO 76 Cb 0.00 -5.18 -0.02 0.00 0.04 0.00 0.00 34.50 29.34 2yus s PRO 76 CO 0.00 -3.80 1.05 -1.54 0.04 0.00 0.00 177.00 172.75 2yus s SER 77 N 7.00 5.62 -0.06 6.66 1.04 -1.26 -5.00 113.70 127.70 2yus s SER 77 Ca 0.69 1.70 -0.30 0.00 0.48 0.00 0.00 55.95 58.52 2yus s SER 77 Cb -0.03 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 2yus s SER 77 CO 0.09 -1.28 1.03 -0.44 0.98 0.00 0.00 173.24 173.62 2yus s SER 78 N -3.34 7.25 0.00 7.02 0.01 -1.26 -5.26 113.70 118.12 2yus s SER 78 Ca 0.60 1.64 0.00 0.00 1.31 0.00 0.00 55.95 59.50 2yus s SER 78 Cb -0.15 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2yus s SER 78 CO 0.46 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.31