#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 4.31 0.07 1.61 0.15 -1.26 -5.06 113.70 113.52 2yus s SER 2 Ca 0.00 -1.44 -0.27 0.00 0.70 0.00 0.00 55.95 54.94 2yus s SER 2 Cb 0.00 0.31 -0.17 0.00 -1.71 0.00 0.00 66.02 64.46 2yus s SER 2 CO 0.00 -0.87 1.64 0.77 1.20 0.00 0.00 173.24 175.98 2yus h SER 3 N 1.20 -0.28 -4.01 5.45 4.64 -2.09 -3.48 113.55 114.98 2yus h SER 3 Ca -0.42 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 2yus h SER 3 Cb 1.30 0.07 0.09 0.00 -0.31 0.00 0.00 62.40 63.55 2yus h SER 3 CO 0.69 -0.16 -0.39 0.61 -0.87 0.00 0.00 176.83 176.71 2yus n GLY 4 N -1.10 -0.02 0.58 -0.77 0.00 -1.26 -5.00 105.19 97.62 2yus n GLY 4 Ca -0.09 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2yus n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yus n SER 5 N -2.21 1.16 -4.56 1.61 3.41 -1.26 -5.04 113.62 106.74 2yus n SER 5 Ca -0.07 0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.25 2yus n SER 5 Cb 0.56 -0.27 0.04 0.00 -0.26 0.00 0.00 64.21 64.29 2yus n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yus n SER 6 N -3.33 0.07 0.00 4.04 7.64 -1.26 -4.99 113.62 115.79 2yus n SER 6 Ca -0.19 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2yus n SER 6 Cb 0.65 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2yus n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yus n GLY 7 N 1.48 -2.09 3.57 0.23 0.00 -1.26 -5.00 105.19 102.12 2yus n GLY 7 Ca 0.13 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 3.10 -0.01 2.61 -1.32 -1.26 -5.05 115.64 113.71 2yus s THR 8 Ca 0.00 -1.87 -0.21 0.00 -1.21 0.00 0.00 61.69 58.40 2yus s THR 8 Cb 0.00 -2.58 -0.23 0.00 -1.51 0.00 0.00 72.50 68.18 2yus s THR 8 CO 0.00 -0.23 1.10 -0.07 -2.21 0.00 0.00 174.62 173.21 2yus h LEU 9 N 2.54 0.44 -7.61 9.08 3.38 -1.94 -3.47 115.31 117.73 2yus h LEU 9 Ca -0.45 -0.74 -0.14 0.00 0.09 0.00 0.00 57.88 56.63 2yus h LEU 9 Cb 1.23 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.62 2yus h LEU 9 CO 0.56 1.12 -0.42 0.00 0.09 0.00 0.00 178.44 179.79 2yus s ALA 10 N -3.27 -0.52 -0.12 1.53 0.00 -1.26 -4.23 121.76 113.89 2yus s ALA 10 Ca -0.14 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.98 2yus s ALA 10 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2yus s ALA 10 CO 0.79 -0.19 -0.06 0.87 0.00 0.00 0.00 175.76 177.17 2yus h LYS 11 N 4.59 0.00 -5.48 0.00 1.57 -1.93 -3.47 116.57 111.84 2yus h LYS 11 Ca -0.29 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.83 2yus h LYS 11 Cb 1.19 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.25 2yus h LYS 11 CO 0.39 0.05 -0.75 -1.12 -0.57 0.00 0.00 179.45 177.45 2yus s SER 12 N -5.68 4.14 0.14 0.86 0.01 -1.26 -4.59 113.70 107.32 2yus s SER 12 Ca -0.08 -0.27 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 2yus s SER 12 Cb 0.01 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.72 2yus s SER 12 CO 0.13 0.20 1.72 0.50 0.41 0.00 0.00 173.24 176.20 2yus h LYS 13 N 6.46 0.10 0.00 12.44 1.63 -1.93 -3.44 116.57 131.84 2yus h LYS 13 Ca -0.30 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2yus h LYS 13 Cb 1.20 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2yus h LYS 13 CO 0.56 0.07 0.00 0.41 -3.45 0.00 0.00 179.45 177.03 2yus n GLY 14 N -1.20 3.10 4.17 5.01 0.00 -1.26 -4.97 105.19 110.04 2yus n GLY 14 Ca -0.01 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 2yus n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yus n ALA 15 N 0.45 -1.33 -1.92 4.61 0.00 -1.26 -4.80 120.51 116.25 2yus n ALA 15 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 2yus n ALA 15 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 19.45 16.01 2yus n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yus s SER 16 N -3.40 5.23 -0.30 0.00 0.15 -1.26 -4.89 113.70 109.23 2yus s SER 16 Ca 0.66 0.75 -0.10 0.00 0.70 0.00 0.00 55.95 57.96 2yus s SER 16 Cb -0.36 -2.52 0.14 0.00 -1.71 0.00 0.00 66.02 61.57 2yus s SER 16 CO 0.91 -2.33 0.69 0.00 1.20 0.00 0.00 173.24 173.72 2yus s ALA 17 N 9.24 -2.15 0.00 5.45 0.00 -1.26 -4.94 121.76 128.10 2yus s ALA 17 Ca 0.77 2.28 0.00 0.00 0.00 0.00 0.00 51.96 55.01 2yus s ALA 17 Cb -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.12 2yus s ALA 17 CO 0.25 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2yus n GLY 18 N 5.39 0.62 1.83 0.00 0.00 -1.26 -4.78 105.19 106.98 2yus n GLY 18 Ca -0.11 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 2yus n GLY 18 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2yus n ARG 19 N 0.00 1.62 -4.67 1.61 1.85 -1.26 -4.87 116.66 110.95 2yus n ARG 19 Ca 0.00 -1.15 -0.30 0.00 -1.00 0.00 0.00 57.85 55.40 2yus n ARG 19 Cb 0.00 -1.49 -0.10 0.00 -1.05 0.00 0.00 32.46 29.83 2yus n ARG 19 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2yus s GLU 20 N -1.20 2.06 -0.37 2.89 -1.05 -1.26 -5.05 118.70 114.72 2yus s GLU 20 Ca 0.25 -2.22 -0.40 0.00 -0.15 0.00 0.00 54.97 52.45 2yus s GLU 20 Cb 0.19 -1.60 -0.16 0.00 -0.44 0.00 0.00 34.13 32.12 2yus s GLU 20 CO -0.02 -0.18 1.94 0.91 0.95 0.00 0.00 175.26 178.86 2yus n TRP 21 N -1.10 1.72 -2.25 4.83 7.02 -1.26 -4.92 117.44 121.47 2yus n TRP 21 Ca -0.11 0.58 -0.28 0.00 -1.02 0.00 0.00 57.50 56.67 2yus n TRP 21 Cb 0.67 -2.42 0.03 0.00 -2.42 0.00 0.00 31.31 27.16 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 5.06 3.98 0.31 -0.99 -4.23 -1.26 -4.77 115.64 113.75 2yus s THR 22 Ca 1.07 0.26 0.04 0.00 -1.18 0.00 0.00 61.69 61.88 2yus s THR 22 Cb -1.15 -3.59 0.40 0.00 1.34 0.00 0.00 72.50 69.50 2yus s THR 22 CO 0.63 -0.66 1.58 -0.08 -0.54 0.00 0.00 174.62 175.54 2yus h GLU 23 N -0.23 0.02 0.45 3.99 4.81 -1.92 -0.85 114.58 120.85 2yus h GLU 23 Ca -0.45 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 2yus h GLU 23 Cb 1.24 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2yus h GLU 23 CO 0.62 0.01 -0.22 0.37 -0.73 0.00 0.00 179.01 179.06 2yus h GLN 24 N 0.02 -0.59 -0.72 1.92 4.15 -1.99 -2.92 115.11 114.98 2yus h GLN 24 Ca 0.63 0.04 0.07 0.00 0.77 0.00 0.00 58.65 60.16 2yus h GLN 24 Cb 1.36 0.13 -0.09 0.00 0.21 0.00 0.00 27.48 29.09 2yus h GLN 24 CO -0.88 -0.39 -0.45 0.93 -1.93 0.00 0.00 178.83 176.10 2yus h GLU 25 N -0.61 -0.03 -0.86 1.69 4.39 -1.56 0.11 114.58 117.71 2yus h GLU 25 Ca -0.06 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.72 2yus h GLU 25 Cb 0.47 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.02 2yus h GLU 25 CO 0.10 -0.02 -0.50 2.41 -1.16 0.00 0.00 179.01 179.84 2yus n THR 26 N -4.73 -0.58 -0.02 1.13 -1.04 -0.63 -0.07 114.28 108.34 2yus n THR 26 Ca 0.01 2.09 -0.09 0.00 -2.04 0.00 0.00 64.05 64.02 2yus n THR 26 Cb 0.21 -2.59 -0.03 0.00 -1.82 0.00 0.00 70.33 66.10 2yus n THR 26 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2yus h LEU 27 N 0.00 -0.21 -0.53 -4.42 3.38 -0.95 -2.50 115.31 110.08 2yus h LEU 27 Ca 0.14 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.28 2yus h LEU 27 Cb 0.36 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 2yus h LEU 27 CO -0.81 -0.08 -0.09 -0.07 0.09 0.00 0.00 178.44 177.48 2yus h LEU 28 N -0.03 -0.40 -0.53 1.67 3.38 0.14 -1.43 115.31 118.10 2yus h LEU 28 Ca 0.09 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.31 2yus h LEU 28 Cb 0.16 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.10 2yus h LEU 28 CO -0.19 -0.15 -0.28 0.25 0.09 0.00 0.00 178.44 178.16 2yus h LEU 29 N 0.04 -0.98 0.70 1.67 5.85 -0.24 -1.33 115.31 121.02 2yus h LEU 29 Ca 0.26 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 59.16 2yus h LEU 29 Cb 0.40 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2yus h LEU 29 CO -0.51 -0.28 -0.47 -0.07 -0.34 0.00 0.00 178.44 176.76 2yus h LEU 30 N -0.15 -1.21 -1.00 2.25 3.38 -1.16 0.46 115.31 117.89 2yus h LEU 30 Ca 0.23 0.07 0.39 0.00 0.09 0.00 0.00 57.88 58.66 2yus h LEU 30 Cb 0.52 0.36 -0.18 0.00 0.09 0.00 0.00 40.66 41.46 2yus h LEU 30 CO -0.62 -0.70 0.46 -0.33 0.09 0.00 0.00 178.44 177.33 2yus h GLU 31 N -1.11 0.03 0.11 1.13 4.39 -0.83 1.17 114.58 119.48 2yus h GLU 31 Ca -0.09 -0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.33 2yus h GLU 31 Cb 0.90 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2yus h GLU 31 CO 0.07 0.02 -1.23 0.00 -1.16 0.00 0.00 179.01 176.71 2yus h ALA 32 N 1.98 0.13 0.00 3.43 0.00 -0.78 -2.88 119.26 121.14 2yus h ALA 32 Ca 0.80 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2yus h ALA 32 Cb 2.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2yus h ALA 32 CO -0.78 1.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.41 2yus h LEU 33 N 0.07 0.00 0.00 0.00 3.38 0.61 1.04 115.31 120.40 2yus h LEU 33 Ca -0.13 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.57 2yus h LEU 33 Cb 1.95 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.66 2yus h LEU 33 CO 0.19 0.00 -1.97 -1.84 0.09 0.00 0.00 178.44 174.91 2yus n GLU 34 N -2.70 0.66 -0.10 1.13 0.28 0.50 -3.45 120.64 116.95 2yus n GLU 34 Ca 0.00 0.10 -0.13 0.00 -0.16 0.00 0.00 57.16 56.97 2yus n GLU 34 Cb 0.22 -1.65 -0.05 0.00 1.43 0.00 0.00 31.44 31.39 2yus n GLU 34 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2yus n MET 35 N -2.80 0.54 -1.27 3.44 2.81 -0.96 -4.57 117.12 114.30 2yus n MET 35 Ca -0.21 0.26 -0.28 0.00 -1.81 0.00 0.00 57.70 55.65 2yus n MET 35 Cb 1.00 -1.47 0.14 0.00 -0.71 0.00 0.00 33.22 32.18 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 -4.43 3.13 0.00 2.03 4.01 0.35 -4.80 117.16 117.46 2yus n TYR 36 Ca -0.22 -2.33 0.00 0.00 -0.16 0.00 0.00 57.90 55.19 2yus n TYR 36 Cb 0.58 -1.15 0.00 0.00 -0.31 0.00 0.00 39.34 38.46 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 -1.06 0.00 -0.06 -0.72 4.81 -0.87 -1.73 118.16 118.53 2yus n LYS 37 Ca 0.61 0.60 -0.14 0.00 -0.87 0.00 0.00 58.31 58.51 2yus n LYS 37 Cb 1.26 -0.96 -0.06 0.00 0.02 0.00 0.00 35.03 35.29 2yus n LYS 37 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2yus h ASP 38 N 0.00 0.61 -0.37 3.14 3.32 -1.87 -3.38 116.42 117.88 2yus h ASP 38 Ca 0.00 -0.53 -0.31 0.00 0.02 0.00 0.00 57.03 56.21 2yus h ASP 38 Cb 0.00 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2yus h ASP 38 CO 0.00 1.03 0.99 0.47 -1.72 0.00 0.00 179.24 180.01 2yus n ASP 39 N -4.32 2.76 0.07 6.45 9.92 -0.71 -4.67 116.55 126.04 2yus n ASP 39 Ca -0.06 -2.66 -0.07 0.00 -0.53 0.00 0.00 54.79 51.47 2yus n ASP 39 Cb 0.49 -1.69 0.09 0.00 -0.64 0.00 0.00 41.12 39.37 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 9.89 0.41 -1.33 1.24 4.06 -1.75 -3.09 115.95 125.38 2yus h TRP 40 Ca 0.20 -0.16 0.44 0.00 2.06 0.00 0.00 58.89 61.43 2yus h TRP 40 Cb 0.93 -0.07 -0.13 0.00 -1.00 0.00 0.00 29.16 28.89 2yus h TRP 40 CO 1.18 0.85 0.86 -0.97 -3.56 0.00 0.00 178.44 176.80 2yus h ASN 41 N 0.23 0.24 0.08 -3.49 -1.24 -1.91 0.17 115.58 109.66 2yus h ASN 41 Ca -0.01 0.13 -0.32 0.00 0.71 0.00 0.00 56.30 56.82 2yus h ASN 41 Cb 1.14 0.12 -0.02 0.00 0.73 0.00 0.00 38.32 40.29 2yus h ASN 41 CO 0.10 -0.18 -1.74 0.29 -1.29 0.00 0.00 177.43 174.61 2yus n LYS 42 N -4.68 0.69 -0.37 6.67 5.02 -1.19 -4.37 118.16 119.93 2yus n LYS 42 Ca 0.37 0.37 -0.06 0.00 -2.02 0.00 0.00 58.31 56.98 2yus n LYS 42 Cb 1.44 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 34.69 2yus n LYS 42 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2yus n VAL 43 N -3.82 -0.56 -0.31 -0.18 0.31 0.54 0.10 118.33 114.42 2yus n VAL 43 Ca -0.32 2.17 0.15 0.00 -0.01 0.00 0.00 64.34 66.34 2yus n VAL 43 Cb 0.92 -2.77 0.33 0.00 -0.91 0.00 0.00 33.84 31.42 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 0.14 -0.28 4.52 4.64 -1.64 0.24 113.55 121.16 2yus h SER 44 Ca 0.22 0.19 -0.12 0.00 -0.47 0.00 0.00 61.79 61.61 2yus h SER 44 Cb 0.45 0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2yus h SER 44 CO -0.88 -0.14 -0.30 -0.33 -0.87 0.00 0.00 176.83 174.31 2yus h GLU 45 N 0.25 0.70 -0.83 4.77 5.08 0.48 -2.96 114.58 122.07 2yus h GLU 45 Ca 0.59 -0.38 0.20 0.00 -1.00 0.00 0.00 59.36 58.78 2yus h GLU 45 Cb 1.23 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.38 2yus h GLU 45 CO -0.64 0.99 0.26 1.25 -1.00 0.00 0.00 179.01 179.88 2yus h HIS 46 N 0.44 0.42 0.14 4.33 2.76 0.16 -2.85 115.15 120.54 2yus h HIS 46 Ca 0.04 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2yus h HIS 46 Cb 0.88 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.79 2yus h HIS 46 CO 0.07 -0.11 -0.07 0.28 -1.30 0.00 0.00 177.93 176.81 2yus h VAL 47 N 0.30 0.00 0.00 5.26 2.07 -1.39 -3.49 116.25 118.99 2yus h VAL 47 Ca 0.50 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.93 2yus h VAL 47 Cb 0.93 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2yus h VAL 47 CO -0.56 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.64 2yus n GLY 48 N 0.06 3.20 2.10 2.17 0.00 -1.08 -4.90 105.19 106.75 2yus n GLY 48 Ca -0.02 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 5.29 -3.74 1.61 2.88 -1.26 -4.96 113.62 113.44 2yus n SER 49 Ca 0.00 -3.75 -0.12 0.00 -1.33 0.00 0.00 58.87 53.66 2yus n SER 49 Cb 0.00 -0.44 -0.13 0.00 -0.75 0.00 0.00 64.21 62.90 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 -3.63 0.22 0.43 -1.46 1.81 -1.26 -5.14 118.95 109.92 2yus s ARG 50 Ca 0.53 0.48 -0.04 0.00 -1.72 0.00 0.00 55.73 54.98 2yus s ARG 50 Cb 0.42 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.81 2yus s ARG 50 CO 0.01 -0.14 0.70 -0.08 -0.68 0.00 0.00 175.30 175.12 2yus s THR 51 N 1.03 4.97 0.04 0.02 -1.32 -1.26 -4.39 115.64 114.73 2yus s THR 51 Ca -0.07 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.33 2yus s THR 51 Cb -0.09 -3.85 -0.02 0.00 -1.51 0.00 0.00 72.50 67.03 2yus s THR 51 CO -0.07 -0.73 1.11 0.00 -2.21 0.00 0.00 174.62 172.73 2yus n GLN 52 N -2.03 -0.11 -0.03 7.08 6.02 -1.26 -1.84 117.38 125.20 2yus n GLN 52 Ca -0.01 1.11 -0.01 0.00 -0.01 0.00 0.00 57.00 58.08 2yus n GLN 52 Cb 0.55 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 30.16 2yus n GLN 52 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2yus n ASP 53 N -3.56 -0.08 -0.22 1.08 8.00 -1.26 -1.23 116.55 119.28 2yus n ASP 53 Ca 0.01 0.87 -0.06 0.00 0.71 0.00 0.00 54.79 56.32 2yus n ASP 53 Cb 0.07 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 2yus n ASP 53 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2yus n GLU 54 N -3.01 -0.23 -0.38 -1.24 -0.58 -0.82 -0.62 120.64 113.76 2yus n GLU 54 Ca 0.00 1.20 -0.05 0.00 -0.42 0.00 0.00 57.16 57.89 2yus n GLU 54 Cb 0.02 -1.77 -0.01 0.00 -0.57 0.00 0.00 31.44 29.11 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 -0.01 0.73 0.62 0.00 2.04 0.20 -1.13 117.51 119.96 2yus h ILE 56 Ca 0.28 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 2yus h ILE 56 Cb 0.53 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2yus h ILE 56 CO -0.96 0.12 -0.30 -0.07 0.00 0.00 0.00 178.15 176.94 2yus h LEU 57 N 0.65 -0.70 -0.89 1.44 3.38 0.16 -3.02 115.31 116.32 2yus h LEU 57 Ca 0.48 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.70 2yus h LEU 57 Cb 0.67 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.44 2yus h LEU 57 CO -0.36 -0.38 0.05 -0.74 0.09 0.00 0.00 178.44 177.10 2yus h HIS 58 N -1.08 0.01 -0.72 1.13 2.76 -0.47 1.07 115.15 117.85 2yus h HIS 58 Ca -0.08 0.06 0.14 0.00 -2.20 0.00 0.00 60.37 58.28 2yus h HIS 58 Cb 0.64 0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.69 2yus h HIS 58 CO 0.02 -0.33 0.48 0.35 -1.30 0.00 0.00 177.93 177.16 2yus h PHE 59 N 0.08 0.48 -0.53 5.26 3.57 -1.20 0.34 116.94 124.93 2yus h PHE 59 Ca 0.53 0.01 -0.31 0.00 3.53 0.00 0.00 57.97 61.73 2yus h PHE 59 Cb 1.03 -0.15 -0.16 0.00 2.79 0.00 0.00 35.95 39.46 2yus h PHE 59 CO -0.44 0.19 0.39 1.28 -2.23 0.00 0.00 178.31 177.51 2yus n LEU 60 N -4.48 5.63 0.00 0.59 4.77 0.37 -3.99 117.00 119.90 2yus n LEU 60 Ca 0.13 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.18 2yus n LEU 60 Cb 0.49 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2yus n LEU 60 CO 0.33 0.98 -0.32 0.54 -1.33 0.00 0.00 177.39 177.58 2yus n ARG 61 N -0.13 0.00 -1.29 3.23 1.74 0.11 -5.04 116.66 115.28 2yus n ARG 61 Ca 0.32 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.98 2yus n ARG 61 Cb 0.90 -0.55 -0.01 0.00 -1.02 0.00 0.00 32.46 31.78 2yus n ARG 61 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2yus n LEU 62 N -2.51 -2.31 0.00 0.55 4.77 -1.21 -4.95 117.00 111.34 2yus n LEU 62 Ca 0.00 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 2yus n LEU 62 Cb 0.32 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2yus n LEU 62 CO 0.00 -3.72 0.00 -0.81 -1.33 0.00 0.00 177.39 171.53 2yus n PRO 63 N 1.20 0.26 -2.55 3.23 -0.04 -1.26 -5.01 135.00 130.82 2yus n PRO 63 Ca 0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 2yus n PRO 63 Cb 0.34 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.82 2yus n PRO 63 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2yus n ILE 64 N -1.25 1.75 -3.53 0.52 2.08 -1.26 -4.91 119.36 112.76 2yus n ILE 64 Ca 0.00 -4.05 -0.08 0.00 0.56 0.00 0.00 62.75 59.18 2yus n ILE 64 Cb 0.00 -0.36 -0.03 0.00 -0.75 0.00 0.00 39.64 38.50 2yus n ILE 64 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2yus s GLU 65 N -3.37 0.71 0.54 0.38 2.12 -1.26 -5.15 118.70 112.68 2yus s GLU 65 Ca 0.38 -0.20 -0.15 0.00 0.36 0.00 0.00 54.97 55.37 2yus s GLU 65 Cb 0.42 0.33 -0.13 0.00 0.26 0.00 0.00 34.13 35.02 2yus s GLU 65 CO -0.08 -0.30 -0.27 -0.25 -0.54 0.00 0.00 175.26 173.83 2yus n ASP 66 N -0.06 -3.66 -0.11 -1.70 8.00 -1.26 -4.66 116.55 113.09 2yus n ASP 66 Ca -0.08 0.44 -0.13 0.00 0.71 0.00 0.00 54.79 55.74 2yus n ASP 66 Cb 0.61 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2yus n ASP 66 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2yus h PRO 67 N -0.24 0.84 -0.86 -0.24 0.13 -1.84 -3.25 132.00 126.54 2yus h PRO 67 Ca -0.35 -0.44 0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2yus h PRO 67 Cb 1.19 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2yus h PRO 67 CO 0.31 1.08 -0.29 1.88 -0.23 0.00 0.00 178.00 180.75 2yus h TYR 68 N 0.63 -0.73 -1.12 1.56 0.05 -1.89 -3.37 116.97 112.10 2yus h TYR 68 Ca 0.06 0.09 -0.54 0.00 0.05 0.00 0.00 58.73 58.38 2yus h TYR 68 Cb 0.92 0.45 -0.02 0.00 1.01 0.00 0.00 36.73 39.09 2yus h TYR 68 CO 0.07 -0.39 1.59 -0.11 -1.05 0.00 0.00 178.16 178.27 2yus n LEU 69 N -5.51 1.87 -4.40 3.88 7.94 -1.23 -4.91 117.00 114.64 2yus n LEU 69 Ca 0.11 -0.04 -0.20 0.00 -1.11 0.00 0.00 56.01 54.77 2yus n LEU 69 Cb 0.41 -1.34 -0.10 0.00 0.53 0.00 0.00 43.42 42.92 2yus n LEU 69 CO -0.07 -1.08 -0.35 -1.83 -1.11 0.00 0.00 177.39 172.95 2yus s GLU 70 N 7.72 1.49 -0.29 1.96 -1.05 -1.26 -4.99 118.70 122.28 2yus s GLU 70 Ca 1.10 -1.76 -0.16 0.00 -0.15 0.00 0.00 54.97 54.01 2yus s GLU 70 Cb -0.63 -1.00 0.12 0.00 -0.44 0.00 0.00 34.13 32.19 2yus s GLU 70 CO 0.39 -0.00 0.87 1.21 0.95 0.00 0.00 175.26 178.67 2yus s ASN 71 N -3.40 -0.68 -0.12 0.83 3.84 -1.26 -5.16 114.94 108.98 2yus s ASN 71 Ca 0.29 1.08 -0.05 0.00 0.21 0.00 0.00 52.86 54.39 2yus s ASN 71 Cb 0.04 1.31 0.06 0.00 -0.55 0.00 0.00 41.25 42.11 2yus s ASN 71 CO 0.11 -0.17 0.26 -0.94 -2.79 0.00 0.00 177.10 173.57 2yus s SER 72 N 1.51 0.00 -0.19 -4.21 1.04 -1.26 -5.13 113.70 105.45 2yus s SER 72 Ca -0.09 0.58 -0.07 0.00 0.48 0.00 0.00 55.95 56.85 2yus s SER 72 Cb -0.04 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2yus s SER 72 CO -0.17 -0.20 0.05 -1.81 0.98 0.00 0.00 173.24 172.09 2yus s ASP 73 N 1.80 5.40 1.00 7.02 1.11 -1.26 -5.09 116.67 126.65 2yus s ASP 73 Ca -0.05 -0.02 -0.11 0.00 0.18 0.00 0.00 52.55 52.56 2yus s ASP 73 Cb -0.11 -1.93 0.18 0.00 1.07 0.00 0.00 42.92 42.13 2yus s ASP 73 CO -0.09 0.12 1.04 -1.20 1.18 0.00 0.00 175.17 176.23 2yus n SER 74 N 3.87 -0.45 -4.63 0.27 7.64 -1.26 -5.02 113.62 114.04 2yus n SER 74 Ca -0.17 0.24 -0.31 0.00 1.01 0.00 0.00 58.87 59.64 2yus n SER 74 Cb 0.52 -1.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.24 2yus n SER 74 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yus s GLY 75 N -2.52 1.82 0.41 0.23 0.00 -1.26 -5.10 107.32 100.90 2yus s GLY 75 Ca 0.67 -1.06 -0.25 0.00 0.00 0.00 0.00 44.72 44.08 2yus s GLY 75 CO 0.61 -0.97 1.18 2.56 0.00 0.00 0.00 173.10 176.48 2yus s PRO 76 N -1.76 3.97 -0.26 2.90 0.04 -1.26 -4.99 135.00 133.65 2yus s PRO 76 Ca 0.20 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 2yus s PRO 76 Cb -0.11 -2.62 -0.11 0.00 0.04 0.00 0.00 34.50 31.69 2yus s PRO 76 CO 0.11 -0.39 -0.33 0.43 0.04 0.00 0.00 177.00 176.86 2yus n SER 77 N -0.05 1.95 -4.17 6.66 7.64 -1.26 -5.06 113.62 119.33 2yus n SER 77 Ca 0.05 0.35 -0.11 0.00 1.01 0.00 0.00 58.87 60.17 2yus n SER 77 Cb 0.46 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 62.75 2yus n SER 77 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yus s SER 78 N -7.19 0.57 0.00 6.43 0.15 -1.26 -5.38 113.70 107.02 2yus s SER 78 Ca -0.36 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.09 2yus s SER 78 Cb 0.13 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2yus s SER 78 CO 0.48 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.85