#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 3.86 -1.54 1.61 0.15 -1.26 -4.70 113.70 111.82 2yus s SER 2 Ca 0.00 -0.92 -0.13 0.00 0.70 0.00 0.00 55.95 55.60 2yus s SER 2 Cb 0.00 -0.45 0.09 0.00 -1.71 0.00 0.00 66.02 63.94 2yus s SER 2 CO 0.00 0.02 0.87 -1.20 1.20 0.00 0.00 173.24 174.14 2yus n SER 3 N -0.70 -3.78 0.00 5.45 7.64 -1.26 -4.93 113.62 116.04 2yus n SER 3 Ca -0.05 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 58.97 2yus n SER 3 Cb 0.60 -3.58 0.00 0.00 -1.01 0.00 0.00 64.21 60.22 2yus n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yus n GLY 4 N -1.64 -1.15 0.17 0.23 0.00 -1.26 -4.49 105.19 97.06 2yus n GLY 4 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2yus n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yus h SER 5 N 0.00 -0.28 -6.74 1.61 0.87 -1.99 -3.46 113.55 103.56 2yus h SER 5 Ca 0.00 -0.21 -0.55 0.00 -1.23 0.00 0.00 61.79 59.80 2yus h SER 5 Cb 0.00 0.07 -0.20 0.00 -0.44 0.00 0.00 62.40 61.83 2yus h SER 5 CO 0.00 0.09 -0.84 -1.20 -0.53 0.00 0.00 176.83 174.35 2yus n SER 6 N -5.08 -2.89 -4.55 6.23 7.64 -1.26 -4.75 113.62 108.95 2yus n SER 6 Ca -0.09 -1.02 -0.26 0.00 1.01 0.00 0.00 58.87 58.51 2yus n SER 6 Cb 0.25 -2.73 -0.05 0.00 -1.01 0.00 0.00 64.21 60.67 2yus n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yus s GLY 7 N -3.42 -0.58 0.20 0.23 0.00 -1.26 -4.89 107.32 97.59 2yus s GLY 7 Ca 0.66 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.00 2yus s GLY 7 CO 0.93 4.15 0.01 -1.08 0.00 0.00 0.00 173.10 177.11 2yus s THR 8 N 13.22 0.74 -0.51 0.90 -1.32 -1.26 -5.11 115.64 122.30 2yus s THR 8 Ca 0.94 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 59.19 2yus s THR 8 Cb -0.15 -2.24 0.04 0.00 -1.51 0.00 0.00 72.50 68.64 2yus s THR 8 CO 0.17 -0.38 0.86 -0.76 -2.21 0.00 0.00 174.62 172.30 2yus s LEU 9 N -3.22 4.25 0.07 9.08 1.43 -1.26 -5.02 118.68 124.00 2yus s LEU 9 Ca 0.27 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 2yus s LEU 9 Cb 0.06 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 2yus s LEU 9 CO 0.06 -1.09 1.09 0.00 0.23 0.00 0.00 176.35 176.64 2yus s ALA 10 N 3.60 3.30 -0.11 4.21 0.00 -1.26 -5.03 121.76 126.46 2yus s ALA 10 Ca 0.29 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 2yus s ALA 10 Cb -0.13 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.67 2yus s ALA 10 CO 0.20 -0.29 0.17 0.21 0.00 0.00 0.00 175.76 176.04 2yus s LYS 11 N 0.68 0.07 0.05 0.00 2.47 -1.26 -4.65 119.74 117.10 2yus s LYS 11 Ca 0.54 0.44 -0.01 0.00 -1.56 0.00 0.00 55.97 55.38 2yus s LYS 11 Cb -0.26 -0.59 -0.04 0.00 -1.46 0.00 0.00 37.83 35.47 2yus s LYS 11 CO 0.30 -0.41 -0.03 0.45 0.16 0.00 0.00 175.35 175.82 2yus s SER 12 N 2.29 0.55 0.12 1.43 0.15 -1.26 -4.58 113.70 112.41 2yus s SER 12 Ca 0.04 -1.00 -0.31 0.00 0.70 0.00 0.00 55.95 55.38 2yus s SER 12 Cb -0.13 0.19 -0.09 0.00 -1.71 0.00 0.00 66.02 64.28 2yus s SER 12 CO -0.07 -0.59 1.50 -0.75 1.20 0.00 0.00 173.24 174.53 2yus s LYS 13 N -3.90 4.26 0.00 5.44 2.20 -1.26 -4.61 119.74 121.86 2yus s LYS 13 Ca 0.07 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 2yus s LYS 13 Cb 0.08 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2yus s LYS 13 CO -0.09 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 2yus n GLY 14 N 3.68 0.00 3.55 5.54 0.00 -1.26 -5.10 105.19 111.61 2yus n GLY 14 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 2.48 -0.52 4.61 0.00 -1.26 -4.83 121.76 122.24 2yus s ALA 15 Ca 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.55 2yus s ALA 15 Cb 0.00 -4.37 0.43 0.00 0.00 0.00 0.00 23.12 19.19 2yus s ALA 15 CO 0.00 -3.68 1.56 -1.13 0.00 0.00 0.00 175.76 172.51 2yus n SER 16 N 10.55 6.14 -3.22 0.00 3.41 -1.26 -5.04 113.62 124.21 2yus n SER 16 Ca 0.18 -3.77 -0.21 0.00 -0.26 0.00 0.00 58.87 54.81 2yus n SER 16 Cb 0.50 -0.67 0.19 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.71 -2.88 -0.68 7.33 0.00 -1.26 -5.01 120.51 117.31 2yus n ALA 17 Ca 0.51 -1.14 -0.08 0.00 0.00 0.00 0.00 53.44 52.72 2yus n ALA 17 Cb 0.71 -0.09 0.13 0.00 0.00 0.00 0.00 19.45 20.21 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 -3.17 -3.75 2.54 0.00 0.00 -1.26 -4.87 105.19 94.69 2yus n GLY 18 Ca 0.11 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.69 4.80 -0.00 1.61 3.00 -1.26 -4.32 116.66 116.80 2yus n ARG 19 Ca 0.06 -3.85 0.03 0.00 -0.00 0.00 0.00 57.85 54.09 2yus n ARG 19 Cb 0.27 -2.55 -0.04 0.00 0.00 0.00 0.00 32.46 30.15 2yus n ARG 19 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2yus n GLU 20 N 1.02 3.65 -4.31 -0.14 4.07 -1.26 -5.00 120.64 118.65 2yus n GLU 20 Ca 0.56 -0.02 -0.18 0.00 -0.06 0.00 0.00 57.16 57.47 2yus n GLU 20 Cb 0.26 -0.88 -0.15 0.00 -0.06 0.00 0.00 31.44 30.62 2yus n GLU 20 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2yus s TRP 21 N -1.79 0.74 0.62 4.31 0.52 -1.26 -5.12 118.94 116.95 2yus s TRP 21 Ca 0.01 -0.15 -0.17 0.00 0.02 0.00 0.00 56.10 55.81 2yus s TRP 21 Cb 0.04 -0.49 -0.02 0.00 -1.15 0.00 0.00 33.47 31.85 2yus s TRP 21 CO 0.23 -0.03 1.14 0.95 0.02 0.00 0.00 176.95 179.26 2yus s THR 22 N -0.11 3.06 0.37 2.01 -4.23 -1.26 -4.78 115.64 110.70 2yus s THR 22 Ca 0.02 0.56 0.16 0.00 -1.18 0.00 0.00 61.69 61.26 2yus s THR 22 Cb -0.04 -3.13 0.36 0.00 1.34 0.00 0.00 72.50 71.04 2yus s THR 22 CO -0.00 -0.24 1.72 -0.08 -0.54 0.00 0.00 174.62 175.48 2yus h GLU 23 N 0.46 0.39 0.00 3.99 4.81 -2.00 -0.41 114.58 121.82 2yus h GLU 23 Ca -0.48 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2yus h GLU 23 Cb 1.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2yus h GLU 23 CO 0.55 0.26 -0.00 1.96 -0.73 0.00 0.00 179.01 181.04 2yus h GLN 24 N 0.40 -0.00 -0.81 1.92 1.08 -2.01 -3.23 115.11 112.47 2yus h GLN 24 Ca 0.67 0.00 0.33 0.00 -1.45 0.00 0.00 58.65 58.20 2yus h GLN 24 Cb 1.58 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.86 2yus h GLN 24 CO -0.43 -0.00 0.42 0.39 -0.95 0.00 0.00 178.83 178.26 2yus n GLU 25 N -2.03 -0.05 0.07 1.46 4.71 -1.08 0.12 120.64 123.84 2yus n GLU 25 Ca -0.00 1.12 -0.11 0.00 -0.01 0.00 0.00 57.16 58.15 2yus n GLU 25 Cb 0.00 -2.00 -0.05 0.00 -1.01 0.00 0.00 31.44 28.38 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 0.66 -0.04 2.62 2.02 -1.18 -2.09 112.91 114.90 2yus h THR 26 Ca 0.68 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.86 2yus h THR 26 Cb 1.79 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2yus h THR 26 CO -0.62 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.21 2yus h LEU 27 N -0.26 0.05 -0.81 2.58 3.38 0.89 -2.71 115.31 118.45 2yus h LEU 27 Ca 0.04 -0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.00 2yus h LEU 27 Cb 0.30 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.89 2yus h LEU 27 CO -0.11 0.23 -0.05 -0.07 0.09 0.00 0.00 178.44 178.53 2yus h LEU 28 N -0.13 -0.48 -0.34 1.67 -0.00 -1.11 0.31 115.31 115.22 2yus h LEU 28 Ca 0.01 0.22 -0.01 0.00 -0.00 0.00 0.00 57.88 58.11 2yus h LEU 28 Cb 0.20 0.41 -0.02 0.00 -0.00 0.00 0.00 40.66 41.25 2yus h LEU 28 CO -0.00 -0.23 0.18 0.25 -0.00 0.00 0.00 178.44 178.64 2yus h LEU 29 N 0.06 0.42 -0.82 1.67 5.85 -1.26 -1.91 115.31 119.32 2yus h LEU 29 Ca 0.43 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2yus h LEU 29 Cb 0.76 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 2yus h LEU 29 CO -0.75 0.39 0.53 -0.07 -0.34 0.00 0.00 178.44 178.20 2yus h LEU 30 N 0.42 0.95 0.99 2.25 3.38 -0.39 -0.16 115.31 122.75 2yus h LEU 30 Ca 0.12 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2yus h LEU 30 Cb 0.07 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.59 2yus h LEU 30 CO -0.02 0.70 -0.48 -0.33 0.09 0.00 0.00 178.44 178.40 2yus h GLU 31 N 1.11 -1.28 -0.85 1.13 4.39 -0.26 -2.89 114.58 115.93 2yus h GLU 31 Ca 0.30 0.09 0.10 0.00 0.34 0.00 0.00 59.36 60.18 2yus h GLU 31 Cb -0.11 0.29 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 2yus h GLU 31 CO -0.06 -0.85 0.55 0.00 -1.16 0.00 0.00 179.01 177.49 2yus h ALA 32 N -1.30 1.70 0.00 3.43 0.00 -1.28 0.64 119.26 122.45 2yus h ALA 32 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2yus h ALA 32 Cb 1.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2yus h ALA 32 CO 0.22 0.12 0.20 1.28 0.00 0.00 0.00 179.25 181.08 2yus n LEU 33 N -4.52 0.41 -0.03 0.00 4.77 -0.08 0.15 117.00 117.69 2yus n LEU 33 Ca 0.15 0.62 -0.16 0.00 -0.03 0.00 0.00 56.01 56.59 2yus n LEU 33 Cb 0.33 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 2yus n LEU 33 CO 0.31 -0.76 -0.80 -0.62 -1.33 0.00 0.00 177.39 174.20 2yus n GLU 34 N -2.11 0.70 -0.10 3.23 1.02 0.21 -3.40 120.64 120.19 2yus n GLU 34 Ca -0.01 0.24 -0.14 0.00 -0.02 0.00 0.00 57.16 57.23 2yus n GLU 34 Cb 0.23 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 2yus n GLU 34 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2yus n MET 35 N -3.26 0.53 -1.13 3.49 2.81 0.57 -4.48 117.12 115.65 2yus n MET 35 Ca -0.28 0.36 -0.25 0.00 -1.81 0.00 0.00 57.70 55.72 2yus n MET 35 Cb 1.05 -1.56 0.12 0.00 -0.71 0.00 0.00 33.22 32.11 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 -4.45 2.71 -0.32 2.03 4.01 0.39 -4.74 117.16 116.79 2yus n TYR 36 Ca -0.24 -2.16 -0.08 0.00 -0.16 0.00 0.00 57.90 55.26 2yus n TYR 36 Cb 0.56 -1.07 -0.06 0.00 -0.31 0.00 0.00 39.34 38.46 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 -0.77 -0.32 -0.07 -0.72 2.85 -1.09 -1.88 118.16 116.17 2yus n LYS 37 Ca 0.53 1.16 -0.17 0.00 -1.05 0.00 0.00 58.31 58.78 2yus n LYS 37 Cb 1.11 -1.71 -0.13 0.00 -0.65 0.00 0.00 35.03 33.66 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 0.05 -0.08 -5.58 2.03 -1.87 -3.41 116.42 107.55 2yus h ASP 38 Ca 0.14 -0.87 -0.00 0.00 -0.73 0.00 0.00 57.03 55.57 2yus h ASP 38 Cb 0.33 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.82 2yus h ASP 38 CO -0.73 1.17 0.02 0.47 -1.03 0.00 0.00 179.24 179.14 2yus n ASP 39 N -4.51 1.28 -0.08 4.15 9.92 -0.79 -4.68 116.55 121.84 2yus n ASP 39 Ca -0.16 -2.45 -0.11 0.00 -0.53 0.00 0.00 54.79 51.53 2yus n ASP 39 Cb 0.57 -1.72 -0.04 0.00 -0.64 0.00 0.00 41.12 39.28 2yus n ASP 39 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 2yus h TRP 40 N 11.68 0.48 -0.84 1.24 4.06 -1.81 -3.09 115.95 127.67 2yus h TRP 40 Ca 0.00 -0.09 0.15 0.00 2.06 0.00 0.00 58.89 61.01 2yus h TRP 40 Cb 1.00 -0.12 -0.15 0.00 -1.00 0.00 0.00 29.16 28.89 2yus h TRP 40 CO 1.01 0.62 -0.27 -1.71 -3.56 0.00 0.00 178.44 174.53 2yus n ASN 41 N -4.62 -0.43 -0.09 -3.49 2.85 -1.26 0.81 115.26 109.02 2yus n ASN 41 Ca -0.04 1.46 -0.11 0.00 -0.11 0.00 0.00 54.58 55.79 2yus n ASN 41 Cb 0.25 -0.39 -0.04 0.00 1.24 0.00 0.00 39.78 40.85 2yus n ASN 41 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2yus h LYS 42 N 0.00 0.42 -0.82 1.20 1.57 -1.93 -3.14 116.57 113.87 2yus h LYS 42 Ca 0.35 -0.10 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 2yus h LYS 42 Cb 0.56 -0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.67 2yus h LYS 42 CO -0.85 0.52 -0.34 0.28 -0.57 0.00 0.00 179.45 178.49 2yus h VAL 43 N 0.26 0.09 -0.95 0.50 2.07 0.48 0.40 116.25 119.10 2yus h VAL 43 Ca 0.08 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.89 2yus h VAL 43 Cb 0.28 0.09 -0.16 0.00 -1.52 0.00 0.00 31.29 29.98 2yus h VAL 43 CO 0.00 0.00 0.33 0.77 0.02 0.00 0.00 177.57 178.69 2yus h SER 44 N -0.06 0.09 -0.04 0.57 4.64 -1.32 0.17 113.55 117.59 2yus h SER 44 Ca 0.32 0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 2yus h SER 44 Cb 0.59 0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2yus h SER 44 CO -0.86 -0.23 -0.03 -0.33 -0.87 0.00 0.00 176.83 174.51 2yus h GLU 45 N 0.17 0.09 -0.68 4.77 4.39 -0.34 -3.01 114.58 119.96 2yus h GLU 45 Ca 0.65 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 60.42 2yus h GLU 45 Cb 1.45 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.97 2yus h GLU 45 CO -0.71 0.52 -0.35 1.25 -1.16 0.00 0.00 179.01 178.55 2yus h HIS 46 N -0.33 -0.99 0.24 4.33 2.76 0.13 -2.42 115.15 118.88 2yus h HIS 46 Ca 0.01 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2yus h HIS 46 Cb 0.49 0.53 -0.01 0.00 1.55 0.00 0.00 27.41 29.97 2yus h HIS 46 CO 0.08 -0.39 -0.24 0.28 -1.30 0.00 0.00 177.93 176.36 2yus h VAL 47 N -0.13 0.00 0.00 5.26 2.07 -1.42 -3.49 116.25 118.55 2yus h VAL 47 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2yus h VAL 47 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2yus h VAL 47 CO -0.75 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.45 2yus n GLY 48 N -1.27 0.82 2.42 2.17 0.00 -0.91 -4.91 105.19 103.50 2yus n GLY 48 Ca -0.06 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 5.05 -4.37 1.61 7.64 -1.26 -4.83 113.62 117.46 2yus n SER 49 Ca 0.00 -3.74 -0.21 0.00 1.01 0.00 0.00 58.87 55.93 2yus n SER 49 Cb 0.00 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.60 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 -3.60 1.66 0.36 1.43 1.81 -1.26 -5.16 118.95 114.19 2yus s ARG 50 Ca 0.49 -1.94 0.04 0.00 -1.72 0.00 0.00 55.73 52.60 2yus s ARG 50 Cb 0.41 -0.72 -0.05 0.00 -0.45 0.00 0.00 34.95 34.13 2yus s ARG 50 CO -0.16 -0.26 0.07 -0.08 -0.68 0.00 0.00 175.30 174.19 2yus s THR 51 N -3.36 1.12 0.10 0.02 -1.32 -1.26 -4.60 115.64 106.34 2yus s THR 51 Ca 0.34 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.55 2yus s THR 51 Cb 0.07 -2.69 -0.10 0.00 -1.51 0.00 0.00 72.50 68.27 2yus s THR 51 CO 0.15 0.00 1.45 1.56 -2.21 0.00 0.00 174.62 175.57 2yus h GLN 52 N 1.99 -0.45 -0.00 7.08 7.50 -1.91 -0.82 115.11 128.50 2yus h GLN 52 Ca -0.40 0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.78 2yus h GLN 52 Cb 1.25 0.10 -0.00 0.00 0.05 0.00 0.00 27.48 28.88 2yus h GLN 52 CO 0.68 -0.30 -0.00 0.22 -1.50 0.00 0.00 178.83 177.93 2yus h ASP 53 N -0.46 -0.02 -0.90 1.46 3.58 -1.97 0.13 116.42 118.24 2yus h ASP 53 Ca 0.03 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.61 2yus h ASP 53 Cb 0.55 0.01 -0.14 0.00 1.72 0.00 0.00 39.33 41.47 2yus h ASP 53 CO -0.38 -0.00 -0.40 -0.62 -2.88 0.00 0.00 179.24 174.96 2yus n GLU 54 N -2.72 -0.26 -0.36 0.28 4.71 -1.14 0.16 120.64 121.30 2yus n GLU 54 Ca -0.00 1.38 0.07 0.00 -0.01 0.00 0.00 57.16 58.60 2yus n GLU 54 Cb 0.00 -2.05 0.24 0.00 -1.01 0.00 0.00 31.44 28.62 2yus n GLU 54 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yus h ILE 56 N 1.01 1.27 0.79 0.00 2.04 0.42 -2.57 117.51 120.46 2yus h ILE 56 Ca 0.49 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2yus h ILE 56 Cb 0.47 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2yus h ILE 56 CO -0.26 0.36 -0.38 -0.07 0.00 0.00 0.00 178.15 177.80 2yus h LEU 57 N 0.53 -0.90 -1.02 1.44 3.38 0.31 -2.51 115.31 116.55 2yus h LEU 57 Ca 0.11 0.03 0.31 0.00 0.09 0.00 0.00 57.88 58.42 2yus h LEU 57 Cb 0.52 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.36 2yus h LEU 57 CO 0.03 -0.53 0.58 -0.74 0.09 0.00 0.00 178.44 177.87 2yus h HIS 58 N -1.28 0.94 0.49 1.13 2.76 -1.02 0.29 115.15 118.45 2yus h HIS 58 Ca -0.11 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 2yus h HIS 58 Cb 0.81 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2yus h HIS 58 CO 0.00 -0.12 -0.23 0.35 -1.30 0.00 0.00 177.93 176.62 2yus h PHE 59 N 0.37 -0.61 -0.77 5.26 3.57 -1.35 -2.27 116.94 121.15 2yus h PHE 59 Ca 0.72 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.34 2yus h PHE 59 Cb 1.60 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.49 2yus h PHE 59 CO -0.01 -0.34 0.51 -0.07 -2.23 0.00 0.00 178.31 176.17 2yus h LEU 60 N -0.73 0.45 -0.56 0.59 3.38 -0.54 -0.83 115.31 117.07 2yus h LEU 60 Ca -0.07 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2yus h LEU 60 Cb 0.54 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2yus h LEU 60 CO 0.11 0.24 0.18 0.03 0.09 0.00 0.00 178.44 179.09 2yus h ARG 61 N 0.49 0.87 -5.63 1.13 3.08 -0.89 -3.45 114.38 109.97 2yus h ARG 61 Ca 0.37 -0.18 -0.59 0.00 0.07 0.00 0.00 59.98 59.65 2yus h ARG 61 Cb 0.77 -0.13 0.14 0.00 0.08 0.00 0.00 29.97 30.83 2yus h ARG 61 CO -0.13 0.79 -0.81 1.28 -1.07 0.00 0.00 179.97 180.02 2yus n LEU 62 N -4.44 -2.40 -4.70 3.04 4.77 -0.32 -4.81 117.00 108.13 2yus n LEU 62 Ca 0.03 0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 56.41 2yus n LEU 62 Cb 0.20 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 2yus n LEU 62 CO 0.40 -3.72 1.10 -2.16 -1.33 0.00 0.00 177.39 171.68 2yus s PRO 63 N -0.94 4.30 0.11 3.23 0.04 -1.26 -5.02 135.00 135.46 2yus s PRO 63 Ca 0.56 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.52 2yus s PRO 63 Cb -0.65 -3.43 -0.06 0.00 0.04 0.00 0.00 34.50 30.39 2yus s PRO 63 CO 0.58 -0.52 0.47 0.96 0.04 0.00 0.00 177.00 178.53 2yus s ILE 64 N 1.83 4.97 -0.31 0.56 -4.36 -1.26 -5.03 121.20 117.60 2yus s ILE 64 Ca 0.65 0.65 -0.22 0.00 -0.26 0.00 0.00 60.65 61.47 2yus s ILE 64 Cb -0.34 -3.69 -0.00 0.00 1.25 0.00 0.00 42.46 39.67 2yus s ILE 64 CO 0.29 0.27 0.71 -0.70 0.24 0.00 0.00 174.94 175.75 2yus s GLU 65 N -1.91 3.91 0.46 0.37 2.56 -1.26 -5.03 118.70 117.78 2yus s GLU 65 Ca 0.35 0.42 -0.24 0.00 0.00 0.00 0.00 54.97 55.50 2yus s GLU 65 Cb -0.15 -3.74 -0.08 0.00 2.00 0.00 0.00 34.13 32.17 2yus s GLU 65 CO 0.18 -0.65 1.33 -0.51 -0.56 0.00 0.00 175.26 175.06 2yus s ASP 66 N 1.65 5.95 0.53 -1.70 1.11 -1.26 -4.87 116.67 118.08 2yus s ASP 66 Ca 0.29 2.70 0.33 0.00 0.18 0.00 0.00 52.55 56.04 2yus s ASP 66 Cb -0.14 -2.64 1.37 0.00 1.07 0.00 0.00 42.92 42.58 2yus s ASP 66 CO 0.13 -1.10 1.97 1.55 1.18 0.00 0.00 175.17 178.90 2yus h PRO 67 N 2.23 0.00 -1.04 8.23 0.13 -2.00 -2.90 132.00 136.65 2yus h PRO 67 Ca -0.50 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.15 2yus h PRO 67 Cb 1.26 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.14 2yus h PRO 67 CO 0.61 0.00 0.61 2.48 -0.23 0.00 0.00 178.00 181.46 2yus n TYR 68 N -3.01 2.64 -3.88 1.56 4.11 -1.26 -4.85 117.16 112.47 2yus n TYR 68 Ca 0.01 -1.92 -0.26 0.00 -0.00 0.00 0.00 57.90 55.73 2yus n TYR 68 Cb 0.29 -0.96 -0.17 0.00 -0.00 0.00 0.00 39.34 38.50 2yus n TYR 68 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 2yus s LEU 69 N -2.90 1.08 0.13 -3.48 1.98 -1.10 -5.11 118.68 109.29 2yus s LEU 69 Ca 0.50 -0.28 -0.33 0.00 -2.89 0.00 0.00 54.13 51.13 2yus s LEU 69 Cb 0.41 -0.76 -0.13 0.00 0.66 0.00 0.00 46.19 46.37 2yus s LEU 69 CO 0.07 -0.14 1.68 -0.62 -1.89 0.00 0.00 176.35 175.45 2yus n GLU 70 N 4.98 2.34 -2.00 1.98 4.71 -1.26 -4.89 120.64 126.50 2yus n GLU 70 Ca -0.11 0.85 -0.42 0.00 -0.01 0.00 0.00 57.16 57.46 2yus n GLU 70 Cb 0.50 -2.66 -0.03 0.00 -1.01 0.00 0.00 31.44 28.24 2yus n GLU 70 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2yus s ASN 71 N 1.61 6.66 -0.13 1.62 2.47 -1.26 -4.94 114.94 120.97 2yus s ASN 71 Ca 0.80 2.47 -0.10 0.00 0.42 0.00 0.00 52.86 56.45 2yus s ASN 71 Cb -0.63 -2.58 -0.08 0.00 -1.45 0.00 0.00 41.25 36.52 2yus s ASN 71 CO 0.39 -0.81 0.12 0.28 -3.72 0.00 0.00 177.10 173.35 2yus h SER 72 N 7.53 0.00 -3.51 -4.21 0.02 -2.04 -3.48 113.55 107.87 2yus h SER 72 Ca -0.42 -0.23 -0.18 0.00 -0.84 0.00 0.00 61.79 60.11 2yus h SER 72 Cb 1.20 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.46 2yus h SER 72 CO 0.91 0.76 -0.46 -0.62 -1.14 0.00 0.00 176.83 176.28 2yus s ASP 73 N -5.86 -0.26 0.31 3.07 2.15 -1.26 -5.17 116.67 109.65 2yus s ASP 73 Ca -0.10 0.52 0.05 0.00 0.43 0.00 0.00 52.55 53.44 2yus s ASP 73 Cb 0.01 0.44 -0.03 0.00 -0.30 0.00 0.00 42.92 43.04 2yus s ASP 73 CO 0.24 -0.14 0.22 -0.44 -0.17 0.00 0.00 175.17 174.89 2yus s SER 74 N 0.88 1.42 0.28 -0.34 0.01 -1.26 -4.90 113.70 109.79 2yus s SER 74 Ca -0.06 -1.65 -0.17 0.00 1.31 0.00 0.00 55.95 55.37 2yus s SER 74 Cb -0.07 0.50 -0.09 0.00 0.21 0.00 0.00 66.02 66.56 2yus s SER 74 CO -0.06 -0.98 0.73 -0.83 0.41 0.00 0.00 173.24 172.51 2yus s GLY 75 N -3.35 2.47 0.23 3.44 0.00 -1.12 -4.99 107.32 104.01 2yus s GLY 75 Ca 0.39 0.11 -0.00 0.00 0.00 0.00 0.00 44.72 45.21 2yus s GLY 75 CO 0.22 0.39 1.60 -0.56 0.00 0.00 0.00 173.10 174.74 2yus h PRO 76 N 2.81 0.50 0.00 2.90 0.13 -2.01 -3.37 132.00 132.96 2yus h PRO 76 Ca -0.48 -0.26 -0.28 0.00 -0.87 0.00 0.00 66.00 64.10 2yus h PRO 76 Cb 1.18 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2yus h PRO 76 CO 0.65 0.84 -2.01 0.45 -0.23 0.00 0.00 178.00 177.71 2yus n SER 77 N -4.01 2.01 -4.86 1.44 2.88 -1.26 -5.04 113.62 104.78 2yus n SER 77 Ca -0.02 0.06 -0.21 0.00 -1.33 0.00 0.00 58.87 57.37 2yus n SER 77 Cb 0.53 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 2yus n SER 77 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yus s SER 78 N -6.14 5.02 0.00 -3.46 1.04 -1.26 -5.29 113.70 103.61 2yus s SER 78 Ca -0.24 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2yus s SER 78 Cb 0.08 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.58 2yus s SER 78 CO 0.36 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.59