#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 2.52 0.53 1.61 0.15 -1.26 -5.12 113.70 112.13 2yus s SER 2 Ca 0.00 -0.45 -0.21 0.00 0.70 0.00 0.00 55.95 55.99 2yus s SER 2 Cb 0.00 -1.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.11 2yus s SER 2 CO 0.00 0.06 1.25 -0.44 1.20 0.00 0.00 173.24 175.30 2yus s SER 3 N 0.76 5.58 0.00 5.45 0.01 -1.26 -4.99 113.70 119.25 2yus s SER 3 Ca -0.11 2.49 0.00 0.00 1.31 0.00 0.00 55.95 59.64 2yus s SER 3 Cb -0.16 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2yus s SER 3 CO 0.02 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 172.94 2yus n GLY 4 N 0.56 -0.75 3.04 3.44 0.00 -1.26 -5.13 105.19 105.09 2yus n GLY 4 Ca 0.10 0.80 -0.32 0.00 0.00 0.00 0.00 46.02 46.61 2yus n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yus s SER 5 N 0.00 4.71 0.07 1.61 1.04 -1.26 -5.00 113.70 114.87 2yus s SER 5 Ca 0.00 -1.93 -0.35 0.00 0.48 0.00 0.00 55.95 54.15 2yus s SER 5 Cb 0.00 -1.62 -0.18 0.00 0.10 0.00 0.00 66.02 64.32 2yus s SER 5 CO 0.00 -0.33 1.60 -1.28 0.98 0.00 0.00 173.24 174.20 2yus h SER 6 N 7.68 -1.03 -4.18 7.02 0.87 -2.00 -3.43 113.55 118.49 2yus h SER 6 Ca -0.09 0.06 -0.49 0.00 -1.23 0.00 0.00 61.79 60.04 2yus h SER 6 Cb 1.03 0.30 0.05 0.00 -0.44 0.00 0.00 62.40 63.34 2yus h SER 6 CO 0.51 -0.64 0.38 -0.83 -0.53 0.00 0.00 176.83 175.72 2yus s GLY 7 N -2.09 2.17 -0.21 5.77 0.00 -1.26 -5.07 107.32 106.63 2yus s GLY 7 Ca -0.18 0.40 -0.10 0.00 0.00 0.00 0.00 44.72 44.84 2yus s GLY 7 CO 0.61 0.71 0.49 -1.59 0.00 0.00 0.00 173.10 173.33 2yus s THR 8 N -2.41 -0.31 -1.36 0.90 2.01 -1.26 -4.92 115.64 108.29 2yus s THR 8 Ca 0.64 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.55 2yus s THR 8 Cb -0.15 -0.74 0.17 0.00 0.01 0.00 0.00 72.50 71.79 2yus s THR 8 CO 0.34 0.04 0.43 0.00 -0.69 0.00 0.00 174.62 174.73 2yus n LEU 9 N 4.74 -0.60 -3.56 4.42 -0.00 -1.26 -4.82 117.00 115.93 2yus n LEU 9 Ca -0.17 -0.90 -0.15 0.00 -0.00 0.00 0.00 56.01 54.80 2yus n LEU 9 Cb 0.53 -1.15 -0.06 0.00 -0.00 0.00 0.00 43.42 42.74 2yus n LEU 9 CO 0.03 0.08 0.57 0.00 -0.00 0.00 0.00 177.39 178.06 2yus s ALA 10 N -2.63 -1.84 -0.24 1.47 0.00 -1.26 -5.18 121.76 112.08 2yus s ALA 10 Ca 0.60 1.53 -0.28 0.00 0.00 0.00 0.00 51.96 53.80 2yus s ALA 10 Cb -0.35 -0.47 0.16 0.00 0.00 0.00 0.00 23.12 22.46 2yus s ALA 10 CO 0.74 -0.34 1.18 -1.59 0.00 0.00 0.00 175.76 175.75 2yus s LYS 11 N -0.87 0.34 -0.51 0.00 0.00 -1.26 -4.93 119.74 112.51 2yus s LYS 11 Ca -0.06 0.18 0.01 0.00 0.00 0.00 0.00 55.97 56.10 2yus s LYS 11 Cb -0.01 0.16 0.13 0.00 0.00 0.00 0.00 37.83 38.11 2yus s LYS 11 CO 0.05 -0.09 0.28 -1.12 0.00 0.00 0.00 175.35 174.47 2yus s SER 12 N -0.65 4.85 0.11 0.03 0.01 -1.26 -4.96 113.70 111.83 2yus s SER 12 Ca 0.04 -2.67 -0.21 0.00 1.31 0.00 0.00 55.95 54.41 2yus s SER 12 Cb -0.02 -1.74 -0.08 0.00 0.21 0.00 0.00 66.02 64.39 2yus s SER 12 CO -0.05 -0.35 1.72 0.07 0.41 0.00 0.00 173.24 175.04 2yus h LYS 13 N 7.10 0.00 0.00 12.44 2.10 -2.00 -3.48 116.57 132.73 2yus h LYS 13 Ca -0.06 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2yus h LYS 13 Cb 0.96 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2yus h LYS 13 CO 0.67 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.53 2yus n GLY 14 N -1.15 -1.28 3.53 0.07 0.00 -1.26 -5.06 105.19 100.03 2yus n GLY 14 Ca -0.04 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.20 -1.83 -0.20 4.61 0.00 -1.26 -4.93 121.76 116.95 2yus s ALA 15 Ca 0.00 1.31 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 2yus s ALA 15 Cb 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 2yus s ALA 15 CO 0.00 -0.43 -0.27 0.45 0.00 0.00 0.00 175.76 175.52 2yus n SER 16 N 0.56 1.47 -4.09 0.00 2.88 -1.26 -5.03 113.62 108.15 2yus n SER 16 Ca -0.14 0.25 -0.35 0.00 -1.33 0.00 0.00 58.87 57.30 2yus n SER 16 Cb 0.59 -0.61 0.06 0.00 -0.75 0.00 0.00 64.21 63.49 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 -3.94 -4.88 -1.76 -1.46 0.00 -1.26 -4.57 120.51 102.63 2yus n ALA 17 Ca -0.39 -0.66 -0.00 0.00 0.00 0.00 0.00 53.44 52.38 2yus n ALA 17 Cb 0.77 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 3.08 -3.20 1.87 0.00 0.00 -1.26 -4.89 105.19 100.79 2yus n GLY 18 Ca -0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2yus n GLY 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yus n ARG 19 N 0.19 1.73 -0.10 1.61 0.63 -1.26 -3.98 116.66 115.47 2yus n ARG 19 Ca -0.01 -1.40 0.07 0.00 -0.92 0.00 0.00 57.85 55.59 2yus n ARG 19 Cb 0.02 -1.56 0.12 0.00 0.45 0.00 0.00 32.46 31.49 2yus n ARG 19 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2yus n GLU 20 N 0.54 1.91 -3.82 -0.14 1.02 -1.26 -5.04 120.64 113.85 2yus n GLU 20 Ca 0.27 -2.34 -0.17 0.00 -0.02 0.00 0.00 57.16 54.90 2yus n GLU 20 Cb 0.57 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.51 2yus n GLU 20 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2yus n TRP 21 N -1.05 -0.46 -4.26 -0.32 7.02 -1.26 -5.13 117.44 111.97 2yus n TRP 21 Ca 0.13 -2.22 -0.18 0.00 -1.02 0.00 0.00 57.50 54.21 2yus n TRP 21 Cb 0.57 0.18 -0.13 0.00 -2.42 0.00 0.00 31.31 29.51 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 -3.02 0.87 0.29 -0.99 -4.23 -1.26 -5.00 115.64 102.30 2yus s THR 22 Ca 0.28 -0.88 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 2yus s THR 22 Cb 0.01 -0.81 0.34 0.00 1.34 0.00 0.00 72.50 73.39 2yus s THR 22 CO 0.20 -0.05 1.36 1.21 -0.54 0.00 0.00 174.62 176.79 2yus n GLU 23 N 2.00 -0.06 0.04 3.99 4.07 -1.26 -0.57 120.64 128.85 2yus n GLU 23 Ca -0.18 1.25 -0.02 0.00 -0.06 0.00 0.00 57.16 58.16 2yus n GLU 23 Cb 0.55 -2.09 -0.01 0.00 -0.06 0.00 0.00 31.44 29.84 2yus n GLU 23 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2yus h GLN 24 N 0.00 -0.11 -0.93 5.31 4.15 -2.00 -3.07 115.11 118.46 2yus h GLN 24 Ca 0.60 0.01 0.17 0.00 0.77 0.00 0.00 58.65 60.20 2yus h GLN 24 Cb 1.41 0.03 -0.16 0.00 0.21 0.00 0.00 27.48 28.96 2yus h GLN 24 CO -0.76 -0.08 -0.29 0.39 -1.93 0.00 0.00 178.83 176.17 2yus n GLU 25 N -2.51 -0.14 -0.18 1.69 4.71 -0.48 0.31 120.64 124.04 2yus n GLU 25 Ca -0.01 1.43 -0.03 0.00 -0.01 0.00 0.00 57.16 58.54 2yus n GLU 25 Cb 0.05 -2.14 0.03 0.00 -1.01 0.00 0.00 31.44 28.37 2yus n GLU 25 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 2yus h THR 26 N 0.00 0.30 0.24 2.62 2.02 -0.92 0.17 112.91 117.34 2yus h THR 26 Ca 0.39 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.58 2yus h THR 26 Cb 0.62 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2yus h THR 26 CO -0.94 0.00 -0.32 -0.07 0.37 0.00 0.00 175.52 174.56 2yus h LEU 27 N -0.10 -0.89 0.05 2.58 3.38 -0.04 -2.61 115.31 117.68 2yus h LEU 27 Ca 0.25 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.33 2yus h LEU 27 Cb 0.49 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2yus h LEU 27 CO -0.62 -0.43 -0.53 -0.07 0.09 0.00 0.00 178.44 176.87 2yus h LEU 28 N -0.62 -1.63 -0.51 1.67 3.38 -0.72 0.19 115.31 117.06 2yus h LEU 28 Ca 0.00 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2yus h LEU 28 Cb 0.59 0.61 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 2yus h LEU 28 CO -0.11 -0.54 -0.30 -0.11 0.09 0.00 0.00 178.44 177.47 2yus n LEU 29 N -5.45 -0.54 -0.07 1.67 -0.00 -0.03 -0.74 117.00 111.84 2yus n LEU 29 Ca -0.08 1.35 -0.07 0.00 -0.00 0.00 0.00 56.01 57.21 2yus n LEU 29 Cb 0.40 -0.34 -0.01 0.00 -0.00 0.00 0.00 43.42 43.48 2yus n LEU 29 CO 0.13 -0.96 0.75 -0.07 -0.00 0.00 0.00 177.39 177.24 2yus h LEU 30 N 0.00 -0.55 -0.72 -1.96 3.38 -1.22 0.75 115.31 114.99 2yus h LEU 30 Ca 0.08 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.30 2yus h LEU 30 Cb 0.21 0.29 -0.13 0.00 0.09 0.00 0.00 40.66 41.12 2yus h LEU 30 CO -0.48 -0.20 -0.28 -0.08 0.09 0.00 0.00 178.44 177.48 2yus h GLU 31 N -0.14 -0.07 -0.41 1.13 4.57 0.12 0.60 114.58 120.37 2yus h GLU 31 Ca 0.15 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 2yus h GLU 31 Cb 0.37 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2yus h GLU 31 CO -0.37 -0.05 -0.03 0.00 -1.18 0.00 0.00 179.01 177.38 2yus h ALA 32 N 1.37 0.56 0.00 2.92 0.00 -0.31 -2.42 119.26 121.38 2yus h ALA 32 Ca 0.30 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2yus h ALA 32 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2yus h ALA 32 CO -0.77 0.38 0.13 1.28 0.00 0.00 0.00 179.25 180.27 2yus n LEU 33 N -4.39 0.32 -0.02 0.00 4.77 0.19 0.45 117.00 118.32 2yus n LEU 33 Ca -0.01 0.59 -0.14 0.00 -0.03 0.00 0.00 56.01 56.42 2yus n LEU 33 Cb 0.32 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 2yus n LEU 33 CO 0.42 -0.70 -0.70 -0.62 -1.33 0.00 0.00 177.39 174.46 2yus n GLU 34 N -1.94 0.68 -0.08 3.23 -0.58 -0.59 -3.33 120.64 118.03 2yus n GLU 34 Ca -0.01 0.26 -0.07 0.00 -0.42 0.00 0.00 57.16 56.92 2yus n GLU 34 Cb 0.15 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.26 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 -3.20 0.49 -1.02 3.49 2.81 0.47 -4.48 117.12 115.69 2yus n MET 35 Ca -0.25 0.38 -0.22 0.00 -1.81 0.00 0.00 57.70 55.81 2yus n MET 35 Cb 1.05 -1.58 0.10 0.00 -0.71 0.00 0.00 33.22 32.09 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 -4.54 2.39 -0.30 2.03 4.01 0.17 -4.73 117.16 116.19 2yus n TYR 36 Ca -0.11 -1.95 -0.07 0.00 -0.16 0.00 0.00 57.90 55.61 2yus n TYR 36 Cb 0.39 -0.97 -0.06 0.00 -0.31 0.00 0.00 39.34 38.39 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 -0.58 -0.30 0.09 -0.72 2.85 -1.17 -0.58 118.16 117.75 2yus n LYS 37 Ca 0.46 1.10 -0.20 0.00 -1.05 0.00 0.00 58.31 58.63 2yus n LYS 37 Cb 1.07 -1.63 -0.15 0.00 -0.65 0.00 0.00 35.03 33.68 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 0.55 0.00 -5.58 2.03 -1.87 -3.39 116.42 108.16 2yus h ASP 38 Ca 0.14 -0.68 -0.63 0.00 -0.73 0.00 0.00 57.03 55.12 2yus h ASP 38 Cb 0.32 -0.18 0.06 0.00 -0.83 0.00 0.00 39.33 38.70 2yus h ASP 38 CO -0.69 1.55 2.22 0.47 -1.03 0.00 0.00 179.24 181.77 2yus n ASP 39 N -3.56 2.46 0.26 4.15 8.00 0.26 -4.64 116.55 123.48 2yus n ASP 39 Ca -0.16 -2.65 0.11 0.00 0.71 0.00 0.00 54.79 52.80 2yus n ASP 39 Cb 1.06 -1.05 0.74 0.00 -0.02 0.00 0.00 41.12 41.85 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 8.02 0.00 -0.61 1.24 4.06 -1.77 -2.59 115.95 124.30 2yus h TRP 40 Ca 0.41 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.46 2yus h TRP 40 Cb 0.65 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.69 2yus h TRP 40 CO 1.25 0.00 -0.35 -2.95 -3.56 0.00 0.00 178.44 172.83 2yus h ASN 41 N 0.00 -1.23 0.18 -3.49 -1.07 -1.90 -2.00 115.58 106.07 2yus h ASN 41 Ca 0.01 0.23 -0.30 0.00 0.07 0.00 0.00 56.30 56.31 2yus h ASN 41 Cb 0.04 0.60 0.03 0.00 -2.07 0.00 0.00 38.32 36.93 2yus h ASN 41 CO -0.00 -0.31 -1.28 0.11 0.07 0.00 0.00 177.43 176.02 2yus h LYS 42 N -0.17 0.55 -0.70 4.14 1.79 -1.87 -3.32 116.57 116.99 2yus h LYS 42 Ca 0.23 -0.83 0.27 0.00 -2.18 0.00 0.00 60.65 58.14 2yus h LYS 42 Cb 0.56 0.29 -0.13 0.00 -1.58 0.00 0.00 32.23 31.37 2yus h LYS 42 CO -0.70 1.39 0.31 0.28 -1.08 0.00 0.00 179.45 179.65 2yus n VAL 43 N -3.81 -0.29 -0.03 0.50 0.31 -0.78 0.20 118.33 114.42 2yus n VAL 43 Ca -0.15 1.45 -0.13 0.00 -0.01 0.00 0.00 64.34 65.50 2yus n VAL 43 Cb 1.01 -2.30 -0.08 0.00 -0.91 0.00 0.00 33.84 31.56 2yus n VAL 43 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2yus h SER 44 N 0.00 0.18 -0.44 4.52 4.64 -1.59 -3.22 113.55 117.64 2yus h SER 44 Ca 0.56 -0.43 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2yus h SER 44 Cb 1.44 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 2yus h SER 44 CO -0.56 0.57 0.27 -0.33 -0.87 0.00 0.00 176.83 175.91 2yus h GLU 45 N -0.21 0.59 -0.87 4.77 4.39 0.21 -1.62 114.58 121.84 2yus h GLU 45 Ca 0.02 -0.05 0.21 0.00 0.34 0.00 0.00 59.36 59.88 2yus h GLU 45 Cb 0.51 -0.13 -0.16 0.00 -0.10 0.00 0.00 28.75 28.87 2yus h GLU 45 CO 0.01 0.43 0.00 1.25 -1.16 0.00 0.00 179.01 179.54 2yus h HIS 46 N 0.58 -0.07 0.27 4.33 -0.00 -0.77 -2.43 115.15 117.05 2yus h HIS 46 Ca 0.16 0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 2yus h HIS 46 Cb -0.01 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 2yus h HIS 46 CO -0.03 -0.33 -0.13 0.28 -0.00 0.00 0.00 177.93 177.72 2yus h VAL 47 N 0.06 0.00 0.00 5.26 2.07 -1.50 -3.49 116.25 118.66 2yus h VAL 47 Ca 0.50 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2yus h VAL 47 Cb 0.94 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2yus h VAL 47 CO -0.80 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.40 2yus n GLY 48 N 0.86 2.36 2.01 2.17 0.00 -0.63 -4.84 105.19 107.13 2yus n GLY 48 Ca -0.04 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 1.00 6.63 -3.67 1.61 2.88 -1.26 -4.86 113.62 115.95 2yus n SER 49 Ca 0.00 -3.17 -0.14 0.00 -1.33 0.00 0.00 58.87 54.23 2yus n SER 49 Cb 0.00 -1.07 -0.07 0.00 -0.75 0.00 0.00 64.21 62.32 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 -2.07 0.87 0.24 -1.46 1.81 -1.26 -5.13 118.95 111.95 2yus s ARG 50 Ca 0.38 -0.19 0.08 0.00 -1.72 0.00 0.00 55.73 54.29 2yus s ARG 50 Cb 0.29 0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 35.14 2yus s ARG 50 CO -0.03 -0.28 0.04 0.95 -0.68 0.00 0.00 175.30 175.31 2yus s THR 51 N -1.86 3.75 0.21 0.02 -4.23 -1.26 -4.59 115.64 107.67 2yus s THR 51 Ca -0.09 -1.68 -0.18 0.00 -1.18 0.00 0.00 61.69 58.56 2yus s THR 51 Cb -0.02 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 71.03 2yus s THR 51 CO 0.02 -0.31 1.45 0.00 -0.54 0.00 0.00 174.62 175.25 2yus n GLN 52 N -0.78 -0.24 0.00 3.99 6.02 -1.26 -1.44 117.38 123.68 2yus n GLN 52 Ca -0.07 1.44 -0.03 0.00 -0.01 0.00 0.00 57.00 58.32 2yus n GLN 52 Cb 0.58 -2.13 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 2yus n GLN 52 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2yus h ASP 53 N 0.00 -0.32 -0.41 1.08 5.19 -1.95 -2.22 116.42 117.78 2yus h ASP 53 Ca 0.31 0.04 0.04 0.00 -0.62 0.00 0.00 57.03 56.79 2yus h ASP 53 Cb 0.54 0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.12 2yus h ASP 53 CO -0.92 -0.10 -0.24 -0.62 -3.12 0.00 0.00 179.24 174.24 2yus n GLU 54 N -3.08 -0.18 -0.32 3.56 1.02 -0.52 0.47 120.64 121.59 2yus n GLU 54 Ca -0.01 1.12 0.17 0.00 -0.02 0.00 0.00 57.16 58.41 2yus n GLU 54 Cb 0.07 -1.66 0.32 0.00 -0.02 0.00 0.00 31.44 30.16 2yus n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yus h ILE 56 N 0.00 1.28 0.55 0.00 2.04 0.65 -2.56 117.51 119.47 2yus h ILE 56 Ca 0.61 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2yus h ILE 56 Cb 1.34 1.21 0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2yus h ILE 56 CO -0.86 0.41 -0.26 -0.07 0.00 0.00 0.00 178.15 177.37 2yus h LEU 57 N 0.61 -0.63 -0.78 1.44 4.07 0.34 -2.41 115.31 117.95 2yus h LEU 57 Ca 0.10 0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.23 2yus h LEU 57 Cb 0.64 0.16 -0.14 0.00 1.08 0.00 0.00 40.66 42.40 2yus h LEU 57 CO 0.04 -0.39 -0.27 -0.74 -1.08 0.00 0.00 178.44 176.00 2yus h HIS 58 N -0.86 -0.68 -0.15 1.13 2.76 -0.80 -0.09 115.15 116.47 2yus h HIS 58 Ca -0.08 0.08 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2yus h HIS 58 Cb 0.57 0.42 -0.07 0.00 1.55 0.00 0.00 27.41 29.88 2yus h HIS 58 CO 0.06 -0.37 -0.36 0.35 -1.30 0.00 0.00 177.93 176.32 2yus h PHE 59 N -0.05 -0.99 -0.96 5.26 3.57 -1.46 -0.07 116.94 122.24 2yus h PHE 59 Ca 0.34 0.04 0.21 0.00 3.53 0.00 0.00 57.97 62.09 2yus h PHE 59 Cb 0.58 0.46 -0.08 0.00 2.79 0.00 0.00 35.95 39.70 2yus h PHE 59 CO -0.68 -0.43 0.62 -0.07 -2.23 0.00 0.00 178.31 175.52 2yus h LEU 60 N -0.42 0.51 -0.22 0.59 3.38 -0.52 -0.46 115.31 118.17 2yus h LEU 60 Ca 0.09 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2yus h LEU 60 Cb 0.58 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2yus h LEU 60 CO -0.38 0.18 0.13 0.03 0.09 0.00 0.00 178.44 178.49 2yus h ARG 61 N 0.50 0.29 -6.02 1.13 3.08 -0.06 -3.44 114.38 109.86 2yus h ARG 61 Ca 0.52 -0.03 -0.64 0.00 0.07 0.00 0.00 59.98 59.91 2yus h ARG 61 Cb 1.17 -0.06 0.14 0.00 0.08 0.00 0.00 29.97 31.30 2yus h ARG 61 CO -0.25 0.23 -0.76 1.28 -1.07 0.00 0.00 179.97 179.40 2yus n LEU 62 N -4.91 -2.11 -4.70 3.04 4.77 -0.18 -4.82 117.00 108.08 2yus n LEU 62 Ca -0.03 0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 56.47 2yus n LEU 62 Cb 0.05 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 2yus n LEU 62 CO 0.34 -3.67 1.10 -2.16 -1.33 0.00 0.00 177.39 171.67 2yus s PRO 63 N -1.03 4.30 0.22 3.23 0.04 -1.26 -4.92 135.00 135.57 2yus s PRO 63 Ca 0.61 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.74 2yus s PRO 63 Cb -0.75 -3.44 0.18 0.00 0.04 0.00 0.00 34.50 30.54 2yus s PRO 63 CO 0.60 -0.52 1.51 0.97 0.04 0.00 0.00 177.00 179.60 2yus h ILE 64 N 4.63 1.46 -4.46 0.56 6.09 -1.91 -3.46 117.51 120.42 2yus h ILE 64 Ca -0.40 -2.31 -0.24 0.00 -1.37 0.00 0.00 64.86 60.54 2yus h ILE 64 Cb 1.19 2.24 0.04 0.00 0.47 0.00 0.00 36.82 40.76 2yus h ILE 64 CO 0.88 0.67 0.06 -1.84 -3.07 0.00 0.00 178.15 174.85 2yus n GLU 65 N -3.75 0.26 -1.64 2.19 0.28 -1.26 -5.04 120.64 111.68 2yus n GLU 65 Ca -0.02 -1.41 -0.40 0.00 -0.16 0.00 0.00 57.16 55.17 2yus n GLU 65 Cb 0.69 -0.33 0.03 0.00 1.43 0.00 0.00 31.44 33.25 2yus n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2yus n ASP 66 N -2.94 1.53 0.23 -1.84 5.68 -1.26 -4.89 116.55 113.05 2yus n ASP 66 Ca 0.08 0.98 0.10 0.00 -0.50 0.00 0.00 54.79 55.46 2yus n ASP 66 Cb 0.30 -1.41 0.52 0.00 -1.14 0.00 0.00 41.12 39.39 2yus n ASP 66 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2yus h PRO 67 N 1.37 0.00 -2.55 0.11 0.13 -1.95 -3.29 132.00 125.83 2yus h PRO 67 Ca -0.47 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.03 2yus h PRO 67 Cb 1.33 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.37 2yus h PRO 67 CO 0.56 0.22 2.16 0.66 -0.23 0.00 0.00 178.00 181.36 2yus n TYR 68 N -3.48 2.13 -4.07 1.56 4.01 -1.26 -4.91 117.16 111.14 2yus n TYR 68 Ca -0.00 -2.61 -0.27 0.00 -0.16 0.00 0.00 57.90 54.86 2yus n TYR 68 Cb 0.39 -1.90 -0.03 0.00 -0.31 0.00 0.00 39.34 37.49 2yus n TYR 68 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 2yus s LEU 69 N -1.36 2.75 -0.91 7.72 0.05 -1.24 -5.05 118.68 120.63 2yus s LEU 69 Ca 0.60 -1.26 -0.24 0.00 0.05 0.00 0.00 54.13 53.28 2yus s LEU 69 Cb 0.23 -1.21 0.02 0.00 -2.05 0.00 0.00 46.19 43.18 2yus s LEU 69 CO -0.10 -0.93 1.55 -1.83 -0.55 0.00 0.00 176.35 174.49 2yus s GLU 70 N -4.13 3.24 -0.31 1.48 1.03 -1.26 -4.92 118.70 113.83 2yus s GLU 70 Ca 0.31 -0.66 0.01 0.00 0.03 0.00 0.00 54.97 54.66 2yus s GLU 70 Cb -0.00 -5.01 0.09 0.00 -0.80 0.00 0.00 34.13 28.41 2yus s GLU 70 CO 0.19 -2.47 0.05 1.21 -1.33 0.00 0.00 175.26 172.91 2yus s ASN 71 N 5.58 4.28 0.07 0.83 2.47 -1.26 -4.99 114.94 121.92 2yus s ASN 71 Ca 0.50 -1.75 -0.18 0.00 0.42 0.00 0.00 52.86 51.85 2yus s ASN 71 Cb -0.04 -1.21 -0.10 0.00 -1.45 0.00 0.00 41.25 38.44 2yus s ASN 71 CO -0.01 -0.37 1.43 0.77 -3.72 0.00 0.00 177.10 175.20 2yus h SER 72 N 7.88 0.50 -6.93 -4.21 4.64 -2.05 -3.46 113.55 109.91 2yus h SER 72 Ca -0.11 -0.42 -0.58 0.00 -0.47 0.00 0.00 61.79 60.21 2yus h SER 72 Cb 1.03 -0.14 -0.23 0.00 -0.31 0.00 0.00 62.40 62.75 2yus h SER 72 CO 0.48 0.81 -0.90 -0.90 -0.87 0.00 0.00 176.83 175.44 2yus n ASP 73 N -4.51 -1.14 -3.62 4.97 5.75 -1.26 -4.91 116.55 111.83 2yus n ASP 73 Ca -0.04 -1.16 -0.12 0.00 -0.01 0.00 0.00 54.79 53.46 2yus n ASP 73 Cb 0.34 -2.15 -0.05 0.00 -1.03 0.00 0.00 41.12 38.24 2yus n ASP 73 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2yus s SER 74 N -3.78 -0.30 0.00 -1.12 0.15 -1.26 -5.06 113.70 102.33 2yus s SER 74 Ca 0.43 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2yus s SER 74 Cb -0.24 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2yus s SER 74 CO 0.97 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 175.25 2yus n GLY 75 N 0.11 0.51 3.56 9.45 0.00 -1.26 -5.06 105.19 112.51 2yus n GLY 75 Ca -0.17 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 2.55 -0.57 1.61 0.04 -1.26 -4.81 135.00 132.56 2yus s PRO 76 Ca 0.00 -0.28 -0.02 0.00 0.04 0.00 0.00 61.00 60.74 2yus s PRO 76 Cb 0.00 -5.06 0.33 0.00 0.04 0.00 0.00 34.50 29.81 2yus s PRO 76 CO 0.00 -3.37 2.11 -1.13 0.04 0.00 0.00 177.00 174.65 2yus n SER 77 N 13.97 7.21 -3.57 6.66 3.41 -1.26 -4.82 113.62 135.23 2yus n SER 77 Ca 0.40 -3.53 -0.18 0.00 -0.26 0.00 0.00 58.87 55.29 2yus n SER 77 Cb 0.47 -1.04 -0.14 0.00 -0.26 0.00 0.00 64.21 63.24 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 -0.93 1.22 0.00 4.04 1.04 -1.26 -5.32 113.70 112.49 2yus s SER 78 Ca 0.53 -0.04 0.19 0.00 0.48 0.00 0.00 55.95 57.11 2yus s SER 78 Cb 0.41 0.31 1.15 0.00 0.10 0.00 0.00 66.02 67.99 2yus s SER 78 CO -0.09 -0.30 1.54 0.61 0.98 0.00 0.00 173.24 175.98