#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 4.96 -4.66 1.61 2.88 -1.26 -4.97 113.62 112.18 2yus n SER 2 Ca 0.00 -2.93 -0.46 0.00 -1.33 0.00 0.00 58.87 54.16 2yus n SER 2 Cb 0.00 -1.73 -0.03 0.00 -0.75 0.00 0.00 64.21 61.69 2yus n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yus n SER 3 N 8.11 2.74 -4.21 -3.46 3.41 -1.26 -4.93 113.62 114.02 2yus n SER 3 Ca 0.48 1.12 -0.41 0.00 -0.26 0.00 0.00 58.87 59.80 2yus n SER 3 Cb 0.46 -1.40 -0.05 0.00 -0.26 0.00 0.00 64.21 62.96 2yus n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yus s GLY 4 N 0.51 2.83 0.17 5.00 0.00 -1.26 -4.75 107.32 109.82 2yus s GLY 4 Ca 0.73 -3.53 -0.10 0.00 0.00 0.00 0.00 44.72 41.82 2yus s GLY 4 CO 0.45 1.21 0.32 -0.45 0.00 0.00 0.00 173.10 174.64 2yus s SER 5 N 1.05 -0.01 0.41 1.64 0.15 -1.26 -5.14 113.70 110.54 2yus s SER 5 Ca 0.22 -0.80 0.08 0.00 0.70 0.00 0.00 55.95 56.15 2yus s SER 5 Cb -0.12 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2yus s SER 5 CO -0.08 -0.91 0.49 -0.94 1.20 0.00 0.00 173.24 172.99 2yus s SER 6 N -2.95 5.45 0.00 5.45 1.04 -1.26 -4.92 113.70 116.51 2yus s SER 6 Ca 0.15 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2yus s SER 6 Cb 0.03 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.48 2yus s SER 6 CO -0.01 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2yus n GLY 7 N -1.72 4.24 3.41 7.32 0.00 -1.26 -5.10 105.19 112.09 2yus n GLY 7 Ca 0.06 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2yus n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yus s THR 8 N -0.01 4.59 0.26 2.61 2.01 -1.26 -5.08 115.64 118.76 2yus s THR 8 Ca 0.00 -0.61 0.12 0.00 0.31 0.00 0.00 61.69 61.51 2yus s THR 8 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2yus s THR 8 CO 0.00 -0.06 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.44 2yus s LEU 9 N 1.59 2.57 -0.76 4.42 2.96 -1.26 -4.81 118.68 123.38 2yus s LEU 9 Ca 0.03 -0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 52.94 2yus s LEU 9 Cb -0.18 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 2yus s LEU 9 CO 0.06 0.06 0.65 0.00 -1.32 0.00 0.00 176.35 175.80 2yus n ALA 10 N -0.42 -1.61 -1.21 5.97 0.00 -1.26 -4.89 120.51 117.10 2yus n ALA 10 Ca -0.07 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 2yus n ALA 10 Cb 0.59 -2.95 -0.11 0.00 0.00 0.00 0.00 19.45 16.98 2yus n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2yus n LYS 11 N -2.90 2.51 -0.09 0.00 5.02 -1.26 -4.34 118.16 117.11 2yus n LYS 11 Ca -0.12 -1.61 -0.12 0.00 -2.02 0.00 0.00 58.31 54.43 2yus n LYS 11 Cb 0.60 -2.20 -0.05 0.00 -0.02 0.00 0.00 35.03 33.36 2yus n LYS 11 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2yus n SER 12 N 2.30 1.86 -0.23 4.39 2.88 -1.26 -4.38 113.62 119.18 2yus n SER 12 Ca 0.51 0.50 0.08 0.00 -1.33 0.00 0.00 58.87 58.63 2yus n SER 12 Cb 0.69 -0.87 0.34 0.00 -0.75 0.00 0.00 64.21 63.63 2yus n SER 12 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2yus h LYS 13 N -1.00 0.77 0.00 -1.46 2.10 -2.00 -3.48 116.57 111.50 2yus h LYS 13 Ca -0.16 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 2yus h LYS 13 Cb 0.91 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2yus h LYS 13 CO -0.10 0.51 0.00 0.41 -2.00 0.00 0.00 179.45 178.27 2yus n GLY 14 N -1.43 -0.24 3.54 0.07 0.00 -1.26 -4.35 105.19 101.51 2yus n GLY 14 Ca 0.13 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.45 3.08 -0.21 4.61 0.00 -1.26 -4.75 121.76 121.79 2yus s ALA 15 Ca 0.00 -2.60 -0.21 0.00 0.00 0.00 0.00 51.96 49.15 2yus s ALA 15 Cb 0.00 -4.45 -0.18 0.00 0.00 0.00 0.00 23.12 18.49 2yus s ALA 15 CO 0.00 -3.36 0.16 0.43 0.00 0.00 0.00 175.76 172.99 2yus n SER 16 N 8.11 1.86 -0.28 0.00 7.64 -1.26 -4.34 113.62 125.35 2yus n SER 16 Ca 0.36 0.43 -0.02 0.00 1.01 0.00 0.00 58.87 60.64 2yus n SER 16 Cb 0.49 -0.95 0.09 0.00 -1.01 0.00 0.00 64.21 62.83 2yus n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yus h ALA 17 N -0.54 1.03 0.00 -0.43 0.00 -1.96 -3.46 119.26 113.90 2yus h ALA 17 Ca -0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2yus h ALA 17 Cb 1.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2yus h ALA 17 CO -0.21 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2yus n GLY 18 N -1.31 2.22 3.20 0.00 0.00 -1.26 -5.10 105.19 102.94 2yus n GLY 18 Ca 0.09 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2yus n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yus s ARG 19 N -0.22 3.16 0.11 1.61 3.52 -1.26 -4.83 118.95 121.05 2yus s ARG 19 Ca 0.00 -2.66 0.22 0.00 -0.13 0.00 0.00 55.73 53.16 2yus s ARG 19 Cb 0.00 -4.08 -0.11 0.00 -1.56 0.00 0.00 34.95 29.20 2yus s ARG 19 CO 0.00 -1.23 0.85 -0.85 -0.81 0.00 0.00 175.30 173.26 2yus n GLU 20 N 3.44 0.60 -4.06 5.12 0.28 -1.26 -4.94 120.64 119.81 2yus n GLU 20 Ca 0.13 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.02 2yus n GLU 20 Cb 0.41 -1.70 -0.11 0.00 1.43 0.00 0.00 31.44 31.47 2yus n GLU 20 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2yus s TRP 21 N -3.40 0.60 0.10 -1.84 0.52 -1.26 -5.15 118.94 108.50 2yus s TRP 21 Ca -0.03 -0.62 0.01 0.00 0.02 0.00 0.00 56.10 55.48 2yus s TRP 21 Cb 0.11 -0.37 -0.04 0.00 -1.15 0.00 0.00 33.47 32.02 2yus s TRP 21 CO 0.83 -0.14 0.23 0.95 0.02 0.00 0.00 176.95 178.84 2yus s THR 22 N -1.97 5.31 0.26 2.01 -4.23 -1.26 -4.94 115.64 110.81 2yus s THR 22 Ca -0.06 -0.53 -0.05 0.00 -1.18 0.00 0.00 61.69 59.86 2yus s THR 22 Cb -0.06 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.45 2yus s THR 22 CO -0.02 0.05 1.62 -0.33 -0.54 0.00 0.00 174.62 175.40 2yus h GLU 23 N 2.72 0.09 0.24 3.99 3.07 -2.01 0.66 114.58 123.33 2yus h GLU 23 Ca -0.46 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2yus h GLU 23 Cb 1.17 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 2yus h GLU 23 CO 0.72 0.06 -0.38 0.37 -1.40 0.00 0.00 179.01 178.39 2yus h GLN 24 N 0.09 -0.63 -0.30 2.33 4.15 -1.99 0.13 115.11 118.89 2yus h GLN 24 Ca 0.46 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.99 2yus h GLN 24 Cb 0.83 0.14 -0.07 0.00 0.21 0.00 0.00 27.48 28.60 2yus h GLN 24 CO -0.72 -0.42 -0.16 0.93 -1.93 0.00 0.00 178.83 176.53 2yus h GLU 25 N -0.65 -0.12 -0.28 1.69 3.07 -1.68 -0.27 114.58 116.34 2yus h GLU 25 Ca -0.03 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2yus h GLU 25 Cb 0.60 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.46 2yus h GLU 25 CO -0.12 -0.08 -0.34 1.15 -1.40 0.00 0.00 179.01 178.22 2yus h THR 26 N -0.12 0.23 -0.27 1.13 2.02 -0.67 0.05 112.91 115.27 2yus h THR 26 Ca 0.16 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.37 2yus h THR 26 Cb 0.36 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2yus h THR 26 CO -0.38 0.00 0.07 -0.07 0.37 0.00 0.00 175.52 175.51 2yus h LEU 27 N -0.33 0.05 -0.24 2.58 3.38 -0.45 -2.61 115.31 117.69 2yus h LEU 27 Ca 0.13 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.20 2yus h LEU 27 Cb 0.55 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 2yus h LEU 27 CO -0.46 0.06 -0.22 -0.07 0.09 0.00 0.00 178.44 177.84 2yus h LEU 28 N 0.18 -0.70 -0.67 1.67 3.38 -0.20 -0.19 115.31 118.78 2yus h LEU 28 Ca 0.12 0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.37 2yus h LEU 28 Cb 0.12 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 2yus h LEU 28 CO -0.15 -0.26 0.11 0.25 0.09 0.00 0.00 178.44 178.48 2yus h LEU 29 N -0.22 -0.08 -0.36 1.67 5.85 -0.71 -0.55 115.31 120.91 2yus h LEU 29 Ca 0.14 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 2yus h LEU 29 Cb 0.43 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2yus h LEU 29 CO -0.37 -0.05 0.17 -0.07 -0.34 0.00 0.00 178.44 177.77 2yus h LEU 30 N 0.22 0.48 -0.08 2.25 3.38 -0.93 0.40 115.31 121.02 2yus h LEU 30 Ca 0.37 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.24 2yus h LEU 30 Cb 0.60 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2yus h LEU 30 CO -0.50 0.48 -0.21 -0.33 0.09 0.00 0.00 178.44 177.97 2yus h GLU 31 N 0.44 -0.29 -0.59 1.13 4.39 0.41 -2.14 114.58 117.93 2yus h GLU 31 Ca 0.12 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 2yus h GLU 31 Cb 0.14 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2yus h GLU 31 CO -0.01 -0.19 0.09 0.00 -1.16 0.00 0.00 179.01 177.73 2yus h ALA 32 N 0.65 1.03 0.00 3.43 0.00 -1.11 -2.35 119.26 120.91 2yus h ALA 32 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2yus h ALA 32 Cb 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2yus h ALA 32 CO -0.25 0.62 0.40 -0.07 0.00 0.00 0.00 179.25 179.94 2yus h LEU 33 N 0.91 0.00 0.12 0.00 3.38 -0.23 0.86 115.31 120.35 2yus h LEU 33 Ca 0.18 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.86 2yus h LEU 33 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2yus h LEU 33 CO 0.01 0.00 -1.48 -0.33 0.09 0.00 0.00 178.44 176.73 2yus h GLU 34 N 0.00 0.25 0.00 1.13 5.08 -1.30 -3.05 114.58 116.69 2yus h GLU 34 Ca 0.00 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 2yus h GLU 34 Cb 0.80 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2yus h GLU 34 CO 0.00 1.21 -0.54 0.52 -1.00 0.00 0.00 179.01 179.20 2yus h MET 35 N -0.26 0.00 -1.10 2.33 2.86 -0.63 -3.38 114.93 114.75 2yus h MET 35 Ca -0.32 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 56.86 2yus h MET 35 Cb 1.80 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 33.22 2yus h MET 35 CO 0.06 0.21 0.60 0.66 1.06 0.00 0.00 176.91 179.51 2yus n TYR 36 N -4.61 2.47 -0.28 -0.22 4.01 0.26 -4.72 117.16 114.07 2yus n TYR 36 Ca -0.10 -2.04 -0.02 0.00 -0.16 0.00 0.00 57.90 55.57 2yus n TYR 36 Cb 0.30 -1.01 0.01 0.00 -0.31 0.00 0.00 39.34 38.34 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 -0.60 -0.19 -0.05 -0.72 4.81 -1.14 -1.24 118.16 119.03 2yus n LYS 37 Ca 0.48 1.08 -0.16 0.00 -0.87 0.00 0.00 58.31 58.84 2yus n LYS 37 Cb 1.05 -1.61 -0.14 0.00 0.02 0.00 0.00 35.03 34.35 2yus n LYS 37 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2yus n ASP 38 N -5.02 1.56 -4.08 3.14 5.68 -1.26 -4.69 116.55 111.88 2yus n ASP 38 Ca 0.06 0.13 -0.30 0.00 -0.50 0.00 0.00 54.79 54.19 2yus n ASP 38 Cb 0.27 -0.34 -0.11 0.00 -1.14 0.00 0.00 41.12 39.80 2yus n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2yus n ASP 39 N -3.24 1.46 0.15 -1.12 8.00 -0.38 -4.63 116.55 116.79 2yus n ASP 39 Ca -0.33 -2.53 0.03 0.00 0.71 0.00 0.00 54.79 52.68 2yus n ASP 39 Cb 1.05 -1.21 0.42 0.00 -0.02 0.00 0.00 41.12 41.36 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 10.54 0.17 -0.75 1.24 4.06 -1.84 -2.64 115.95 126.72 2yus h TRP 40 Ca 0.16 -0.02 0.13 0.00 2.06 0.00 0.00 58.89 61.21 2yus h TRP 40 Cb 0.85 -0.05 -0.13 0.00 -1.00 0.00 0.00 29.16 28.83 2yus h TRP 40 CO 1.04 0.32 -0.35 -2.95 -3.56 0.00 0.00 178.44 172.94 2yus h ASN 41 N 0.16 -1.26 0.10 -3.49 -1.07 -1.93 -1.58 115.58 106.51 2yus h ASN 41 Ca 0.03 0.26 -0.23 0.00 0.07 0.00 0.00 56.30 56.44 2yus h ASN 41 Cb 0.38 0.65 0.02 0.00 -2.07 0.00 0.00 38.32 37.30 2yus h ASN 41 CO 0.02 -0.30 -0.95 0.11 0.07 0.00 0.00 177.43 176.39 2yus h LYS 42 N -0.10 0.46 -1.16 4.14 1.57 -1.92 -3.29 116.57 116.27 2yus h LYS 42 Ca 0.28 -0.63 0.37 0.00 -1.87 0.00 0.00 60.65 58.80 2yus h LYS 42 Cb 0.57 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.01 2yus h LYS 42 CO -0.80 1.27 0.80 0.28 -0.57 0.00 0.00 179.45 180.42 2yus n VAL 43 N -4.01 -0.10 0.07 0.50 0.31 -0.62 0.14 118.33 114.62 2yus n VAL 43 Ca -0.13 1.18 -0.11 0.00 -0.01 0.00 0.00 64.34 65.27 2yus n VAL 43 Cb 0.85 -1.94 -0.07 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.21 -0.86 4.52 4.64 -1.56 -3.16 113.55 116.92 2yus h SER 44 Ca 0.64 -0.31 0.04 0.00 -0.47 0.00 0.00 61.79 61.69 2yus h SER 44 Cb 2.30 0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 64.40 2yus h SER 44 CO -0.19 0.32 0.56 1.05 -0.87 0.00 0.00 176.83 177.70 2yus h GLU 45 N -0.88 1.02 -0.68 4.77 4.11 0.10 -2.09 114.58 120.93 2yus h GLU 45 Ca -0.03 -0.06 0.11 0.00 0.07 0.00 0.00 59.36 59.45 2yus h GLU 45 Cb 0.51 -0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 2yus h GLU 45 CO 0.04 0.68 0.28 1.25 0.07 0.00 0.00 179.01 181.32 2yus h HIS 46 N 1.05 0.48 0.38 2.06 2.76 -1.00 -3.06 115.15 117.83 2yus h HIS 46 Ca 0.34 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.53 2yus h HIS 46 Cb 0.05 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.90 2yus h HIS 46 CO -0.00 0.11 -0.18 0.28 -1.30 0.00 0.00 177.93 176.84 2yus h VAL 47 N 0.46 0.00 0.00 5.26 2.07 -1.36 -3.48 116.25 119.19 2yus h VAL 47 Ca 0.35 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2yus h VAL 47 Cb 0.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2yus h VAL 47 CO -0.34 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.86 2yus n GLY 48 N 0.06 0.56 2.45 2.17 0.00 -0.91 -4.92 105.19 104.60 2yus n GLY 48 Ca -0.06 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 6.41 -3.77 1.61 7.64 -1.26 -4.78 113.62 119.47 2yus n SER 49 Ca 0.00 -3.78 -0.24 0.00 1.01 0.00 0.00 58.87 55.86 2yus n SER 49 Cb 0.00 -0.75 -0.17 0.00 -1.01 0.00 0.00 64.21 62.28 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 -3.78 0.67 1.05 1.43 1.81 -1.26 -5.13 118.95 113.74 2yus s ARG 50 Ca 0.55 -0.01 -0.13 0.00 -1.72 0.00 0.00 55.73 54.42 2yus s ARG 50 Cb 0.45 -1.23 0.22 0.00 -0.45 0.00 0.00 34.95 33.93 2yus s ARG 50 CO -0.15 -0.37 1.07 0.95 -0.68 0.00 0.00 175.30 176.13 2yus s THR 51 N 1.94 2.05 0.10 0.02 -4.23 -1.26 -4.36 115.64 109.90 2yus s THR 51 Ca 0.04 0.02 -0.33 0.00 -1.18 0.00 0.00 61.69 60.23 2yus s THR 51 Cb -0.13 -2.38 -0.14 0.00 1.34 0.00 0.00 72.50 71.19 2yus s THR 51 CO -0.06 -0.02 1.58 1.56 -0.54 0.00 0.00 174.62 177.14 2yus h GLN 52 N -2.12 -0.80 -0.08 3.99 7.50 -1.90 -2.05 115.11 119.65 2yus h GLN 52 Ca -0.57 0.05 0.01 0.00 0.50 0.00 0.00 58.65 58.65 2yus h GLN 52 Cb 1.33 0.18 -0.03 0.00 0.05 0.00 0.00 27.48 29.01 2yus h GLN 52 CO 0.55 -0.53 -0.23 -0.44 -1.50 0.00 0.00 178.83 176.68 2yus h ASP 53 N -0.83 -0.74 -0.93 1.46 3.32 -1.93 -2.04 116.42 114.73 2yus h ASP 53 Ca -0.02 0.09 0.15 0.00 0.02 0.00 0.00 57.03 57.26 2yus h ASP 53 Cb 0.77 0.29 -0.15 0.00 0.22 0.00 0.00 39.33 40.46 2yus h ASP 53 CO -0.14 -0.20 -0.36 -0.62 -1.72 0.00 0.00 179.24 176.21 2yus n GLU 54 N -3.78 -0.21 -0.30 3.56 -0.58 -1.19 0.13 120.64 118.27 2yus n GLU 54 Ca -0.02 1.43 0.12 0.00 -0.42 0.00 0.00 57.16 58.27 2yus n GLU 54 Cb 0.16 -2.12 0.29 0.00 -0.57 0.00 0.00 31.44 29.20 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 0.40 1.25 0.67 0.00 2.04 0.15 -2.54 117.51 119.48 2yus h ILE 56 Ca 0.54 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 2yus h ILE 56 Cb 1.02 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2yus h ILE 56 CO -0.52 0.30 -0.50 -0.07 0.00 0.00 0.00 178.15 177.36 2yus h LEU 57 N 0.33 -1.31 -0.86 1.44 4.07 0.17 -0.88 115.31 118.28 2yus h LEU 57 Ca 0.09 0.09 0.20 0.00 0.08 0.00 0.00 57.88 58.33 2yus h LEU 57 Cb 0.42 0.41 -0.12 0.00 1.08 0.00 0.00 40.66 42.45 2yus h LEU 57 CO 0.01 -0.72 0.35 -0.74 -1.08 0.00 0.00 178.44 176.27 2yus h HIS 58 N -1.12 0.58 0.42 1.13 -0.00 -1.21 -1.35 115.15 113.60 2yus h HIS 58 Ca -0.09 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 2yus h HIS 58 Cb 0.93 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 2yus h HIS 58 CO -0.17 -0.03 -0.22 0.35 -0.00 0.00 0.00 177.93 177.86 2yus h PHE 59 N 0.40 -0.56 -1.00 5.26 3.57 -1.05 -2.73 116.94 120.83 2yus h PHE 59 Ca 0.52 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 62.34 2yus h PHE 59 Cb 0.94 0.19 -0.18 0.00 2.79 0.00 0.00 35.95 39.68 2yus h PHE 59 CO -0.16 -0.34 0.22 1.28 -2.23 0.00 0.00 178.31 177.07 2yus n LEU 60 N -5.35 0.06 -0.09 0.59 4.77 -0.37 0.73 117.00 117.34 2yus n LEU 60 Ca -0.11 1.68 -0.06 0.00 -0.03 0.00 0.00 56.01 57.49 2yus n LEU 60 Cb 0.25 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.66 2yus n LEU 60 CO 0.36 -1.77 0.85 0.03 -1.33 0.00 0.00 177.39 175.53 2yus h ARG 61 N 0.00 0.09 -4.32 3.23 -0.00 -1.32 -3.44 114.38 108.63 2yus h ARG 61 Ca 0.70 -0.01 -0.44 0.00 -0.50 0.00 0.00 59.98 59.73 2yus h ARG 61 Cb 1.62 -0.02 0.12 0.00 0.00 0.00 0.00 29.97 31.69 2yus h ARG 61 CO -0.88 0.06 -0.72 1.28 0.00 0.00 0.00 179.97 179.72 2yus n LEU 62 N -5.17 -2.20 -4.64 3.04 4.77 0.22 -4.75 117.00 108.28 2yus n LEU 62 Ca 0.01 0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 56.12 2yus n LEU 62 Cb 0.17 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 2yus n LEU 62 CO 0.22 -3.12 1.35 -2.16 -1.33 0.00 0.00 177.39 172.34 2yus s PRO 63 N -0.72 3.88 -0.25 3.23 0.04 -1.26 -4.99 135.00 134.92 2yus s PRO 63 Ca 0.42 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2yus s PRO 63 Cb -0.44 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.07 2yus s PRO 63 CO 0.46 -1.19 0.47 -1.50 0.04 0.00 0.00 177.00 175.28 2yus s ILE 64 N 4.92 5.11 -1.54 0.56 2.07 -1.26 -4.35 121.20 126.70 2yus s ILE 64 Ca 0.70 0.80 -0.05 0.00 -1.41 0.00 0.00 60.65 60.69 2yus s ILE 64 Cb -0.26 -3.79 0.04 0.00 0.13 0.00 0.00 42.46 38.59 2yus s ILE 64 CO 0.28 0.12 0.31 1.21 -1.91 0.00 0.00 174.94 174.95 2yus n GLU 65 N 5.37 -2.10 -3.80 3.50 0.00 -1.26 -4.94 120.64 117.40 2yus n GLU 65 Ca -0.05 0.25 -0.16 0.00 0.00 0.00 0.00 57.16 57.20 2yus n GLU 65 Cb 0.50 -4.24 -0.16 0.00 0.00 0.00 0.00 31.44 27.54 2yus n GLU 65 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2yus s ASP 66 N -4.14 0.24 -0.01 4.31 -1.08 -1.26 -5.06 116.67 109.67 2yus s ASP 66 Ca 0.17 0.03 -0.25 0.00 -0.52 0.00 0.00 52.55 51.98 2yus s ASP 66 Cb -0.10 -0.11 -0.19 0.00 -1.46 0.00 0.00 42.92 41.06 2yus s ASP 66 CO 0.95 -0.13 1.28 1.55 0.52 0.00 0.00 175.17 179.34 2yus h PRO 67 N 7.37 0.06 -2.84 4.34 0.13 -1.91 -3.41 132.00 135.75 2yus h PRO 67 Ca -0.43 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 2yus h PRO 67 Cb 1.12 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.86 2yus h PRO 67 CO 0.45 0.53 -0.79 0.71 -0.23 0.00 0.00 178.00 178.67 2yus s TYR 68 N -4.27 1.31 -0.44 1.56 2.02 -1.26 -5.00 117.35 111.26 2yus s TYR 68 Ca -0.16 -1.94 -0.28 0.00 -0.37 0.00 0.00 57.07 54.33 2yus s TYR 68 Cb 0.02 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 2yus s TYR 68 CO 0.69 -0.81 1.54 -1.17 -1.57 0.00 0.00 175.55 174.23 2yus s LEU 69 N 0.86 3.50 -1.66 -1.29 2.96 -1.26 -3.62 118.68 118.17 2yus s LEU 69 Ca 0.17 0.78 -0.19 0.00 -0.22 0.00 0.00 54.13 54.67 2yus s LEU 69 Cb -0.23 -3.34 0.17 0.00 0.50 0.00 0.00 46.19 43.29 2yus s LEU 69 CO -0.03 -1.64 0.67 -1.84 -1.32 0.00 0.00 176.35 172.19 2yus n GLU 70 N 8.38 -2.37 -4.82 1.98 0.28 -1.26 -4.92 120.64 117.91 2yus n GLU 70 Ca 0.17 0.29 -0.33 0.00 -0.16 0.00 0.00 57.16 57.14 2yus n GLU 70 Cb 0.48 -4.96 -0.16 0.00 1.43 0.00 0.00 31.44 28.23 2yus n GLU 70 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2yus s ASN 71 N -3.16 3.53 0.27 -1.84 3.84 -1.24 -5.12 114.94 111.22 2yus s ASN 71 Ca 0.72 -0.47 -0.01 0.00 0.21 0.00 0.00 52.86 53.31 2yus s ASN 71 Cb -0.40 -1.52 -0.04 0.00 -0.55 0.00 0.00 41.25 38.74 2yus s ASN 71 CO 0.88 0.13 0.48 -0.55 -2.79 0.00 0.00 177.10 175.25 2yus s SER 72 N 0.54 6.36 -0.19 -4.21 0.15 -1.26 -4.93 113.70 110.16 2yus s SER 72 Ca -0.11 0.45 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 2yus s SER 72 Cb -0.16 -2.03 0.06 0.00 -1.71 0.00 0.00 66.02 62.17 2yus s SER 72 CO 0.04 -0.17 0.00 -0.62 1.20 0.00 0.00 173.24 173.70 2yus s ASP 73 N -3.54 3.04 -0.14 5.45 -1.08 -1.26 -4.99 116.67 114.15 2yus s ASP 73 Ca 0.40 -0.84 -0.08 0.00 -0.52 0.00 0.00 52.55 51.50 2yus s ASP 73 Cb -0.10 -0.76 -0.06 0.00 -1.46 0.00 0.00 42.92 40.54 2yus s ASP 73 CO 0.32 -0.27 -0.20 -1.20 0.52 0.00 0.00 175.17 174.34 2yus n SER 74 N 4.95 1.16 0.00 -0.34 7.64 -1.26 -5.15 113.62 120.63 2yus n SER 74 Ca -0.10 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2yus n SER 74 Cb 0.47 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.09 0.34 0.00 0.23 0.00 -1.26 -4.64 105.19 101.95 2yus n GLY 75 Ca -0.27 -2.23 0.06 0.00 0.00 0.00 0.00 46.02 43.59 2yus n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yus n PRO 76 N 0.00 0.49 -0.99 1.61 -0.04 -1.26 -4.85 135.00 129.95 2yus n PRO 76 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 2yus n PRO 76 Cb 0.00 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 2yus n PRO 76 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yus n SER 77 N -0.89 0.43 -4.84 3.54 7.64 -1.26 -4.87 113.62 113.37 2yus n SER 77 Ca 0.09 0.37 -0.36 0.00 1.01 0.00 0.00 58.87 59.98 2yus n SER 77 Cb 0.04 -0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 62.50 2yus n SER 77 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yus s SER 78 N 5.23 6.13 0.00 6.43 0.01 -1.26 -5.16 113.70 125.08 2yus s SER 78 Ca 0.93 0.39 0.32 0.00 1.31 0.00 0.00 55.95 58.89 2yus s SER 78 Cb -1.05 -1.93 1.87 0.00 0.21 0.00 0.00 66.02 65.12 2yus s SER 78 CO 0.44 0.39 2.21 0.61 0.41 0.00 0.00 173.24 177.30