#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 1.95 -3.80 1.61 2.88 -1.26 -4.98 113.62 110.02 2yus n SER 2 Ca 0.00 0.33 -0.50 0.00 -1.33 0.00 0.00 58.87 57.37 2yus n SER 2 Cb 0.00 -0.82 -0.07 0.00 -0.75 0.00 0.00 64.21 62.58 2yus n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yus n SER 3 N -4.23 -0.03 0.00 -3.46 2.88 -1.26 -4.90 113.62 102.62 2yus n SER 3 Ca -0.53 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2yus n SER 3 Cb 0.88 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2yus n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yus n GLY 4 N 1.28 3.06 3.52 0.46 0.00 -1.26 -5.08 105.19 107.16 2yus n GLY 4 Ca 0.17 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2yus n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yus n SER 5 N 0.00 1.96 -0.10 1.61 2.88 -1.26 -4.76 113.62 113.94 2yus n SER 5 Ca 0.00 -0.04 -0.18 0.00 -1.33 0.00 0.00 58.87 57.32 2yus n SER 5 Cb 0.00 -1.36 -0.06 0.00 -0.75 0.00 0.00 64.21 62.04 2yus n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yus n SER 6 N 12.73 1.82 0.00 -3.46 2.88 -1.26 -5.09 113.62 121.24 2yus n SER 6 Ca 0.43 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 2yus n SER 6 Cb 0.35 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 2yus n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yus n GLY 7 N 1.53 0.29 0.30 0.46 0.00 -1.26 -4.98 105.19 101.53 2yus n GLY 7 Ca -0.31 0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.23 -6.84 2.61 2.02 -1.99 -3.44 112.91 105.49 2yus h THR 8 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 2yus h THR 8 Cb 0.00 0.23 -0.23 0.00 -1.74 0.00 0.00 68.15 66.41 2yus h THR 8 CO 0.00 0.00 -0.87 -0.11 0.37 0.00 0.00 175.52 174.91 2yus n LEU 9 N -5.47 -1.53 -4.56 2.58 7.94 -1.26 -4.80 117.00 109.90 2yus n LEU 9 Ca 0.08 -1.08 -0.39 0.00 -1.11 0.00 0.00 56.01 53.51 2yus n LEU 9 Cb 0.37 -1.97 -0.03 0.00 0.53 0.00 0.00 43.42 42.32 2yus n LEU 9 CO -0.00 0.28 1.60 0.00 -1.11 0.00 0.00 177.39 178.16 2yus s ALA 10 N -3.44 2.28 -0.27 1.96 0.00 -1.26 -4.88 121.76 116.14 2yus s ALA 10 Ca 0.62 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.84 2yus s ALA 10 Cb -0.34 -4.25 0.17 0.00 0.00 0.00 0.00 23.12 18.69 2yus s ALA 10 CO 0.95 -3.68 1.27 0.21 0.00 0.00 0.00 175.76 174.52 2yus s LYS 11 N 6.81 0.23 -0.53 0.00 2.36 -1.26 -5.10 119.74 122.25 2yus s LYS 11 Ca 0.70 0.19 -0.34 0.00 -2.55 0.00 0.00 55.97 53.96 2yus s LYS 11 Cb -0.14 0.11 -0.14 0.00 -1.05 0.00 0.00 37.83 36.60 2yus s LYS 11 CO 0.23 -0.05 2.32 0.45 1.55 0.00 0.00 175.35 179.86 2yus n SER 12 N 1.38 1.52 -4.24 1.43 2.88 -1.26 -4.71 113.62 110.61 2yus n SER 12 Ca -0.09 0.27 -0.60 0.00 -1.33 0.00 0.00 58.87 57.13 2yus n SER 12 Cb 0.57 -1.17 -0.11 0.00 -0.75 0.00 0.00 64.21 62.75 2yus n SER 12 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2yus n LYS 13 N 8.26 0.00 -4.82 -1.46 4.76 -1.26 -4.90 118.16 118.74 2yus n LYS 13 Ca 0.48 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.60 2yus n LYS 13 Cb 0.19 -1.44 -0.14 0.00 -1.84 0.00 0.00 35.03 31.80 2yus n LYS 13 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2yus s GLY 14 N 4.69 1.53 -0.56 0.72 0.00 -1.26 -5.02 107.32 107.42 2yus s GLY 14 Ca 1.10 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 44.93 2yus s GLY 14 CO 0.69 -0.36 1.48 0.00 0.00 0.00 0.00 173.10 174.91 2yus n ALA 15 N 3.17 5.61 -0.82 3.20 0.00 -1.26 -4.83 120.51 125.58 2yus n ALA 15 Ca -0.18 -4.10 -0.10 0.00 0.00 0.00 0.00 53.44 49.06 2yus n ALA 15 Cb 0.53 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 2yus n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2yus n SER 16 N -0.58 5.75 -4.07 0.00 7.64 -1.26 -4.73 113.62 116.37 2yus n SER 16 Ca 0.46 -2.69 -0.33 0.00 1.01 0.00 0.00 58.87 57.33 2yus n SER 16 Cb 0.58 -1.19 -0.00 0.00 -1.01 0.00 0.00 64.21 62.59 2yus n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yus n ALA 17 N 1.35 -1.33 -2.08 -0.43 0.00 -1.26 -3.62 120.51 113.13 2yus n ALA 17 Ca 0.23 0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.71 2yus n ALA 17 Cb 0.62 -3.75 0.00 0.00 0.00 0.00 0.00 19.45 16.32 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 -1.56 -2.41 3.53 0.00 0.00 -1.26 -4.76 105.19 98.72 2yus n GLY 18 Ca 0.03 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 2yus n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yus n ARG 19 N 0.00 0.41 -3.69 1.61 1.74 -1.24 -4.84 116.66 110.65 2yus n ARG 19 Ca 0.02 -0.19 -0.10 0.00 -0.77 0.00 0.00 57.85 56.81 2yus n ARG 19 Cb 0.09 -2.40 -0.11 0.00 -1.02 0.00 0.00 32.46 29.02 2yus n ARG 19 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2yus s GLU 20 N 8.34 0.35 0.29 5.56 2.02 -1.26 -5.15 118.70 128.85 2yus s GLU 20 Ca 1.15 0.81 -0.25 0.00 0.02 0.00 0.00 54.97 56.70 2yus s GLU 20 Cb -0.62 0.04 -0.09 0.00 0.10 0.00 0.00 34.13 33.55 2yus s GLU 20 CO 0.36 -0.18 0.90 -1.58 0.02 0.00 0.00 175.26 174.77 2yus s TRP 21 N 1.69 3.73 0.22 1.61 0.52 -1.26 -5.07 118.94 120.37 2yus s TRP 21 Ca -0.07 1.73 0.10 0.00 0.02 0.00 0.00 56.10 57.87 2yus s TRP 21 Cb -0.09 -2.87 -0.05 0.00 -1.15 0.00 0.00 33.47 29.31 2yus s TRP 21 CO -0.12 0.27 -0.19 0.95 0.02 0.00 0.00 176.95 177.88 2yus s THR 22 N -1.54 2.13 0.46 2.01 -4.23 -1.26 -4.99 115.64 108.22 2yus s THR 22 Ca 0.47 -2.19 0.32 0.00 -1.18 0.00 0.00 61.69 59.11 2yus s THR 22 Cb -0.19 -2.11 0.51 0.00 1.34 0.00 0.00 72.50 72.05 2yus s THR 22 CO 0.24 -0.39 1.66 1.05 -0.54 0.00 0.00 174.62 176.65 2yus h GLU 23 N 2.71 0.11 0.09 3.99 4.11 -1.99 0.38 114.58 123.98 2yus h GLU 23 Ca -0.41 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.01 2yus h GLU 23 Cb 1.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2yus h GLU 23 CO 0.57 0.07 -0.04 0.37 0.07 0.00 0.00 179.01 180.04 2yus h GLN 24 N 0.11 -0.12 0.23 1.06 5.75 -2.00 -2.56 115.11 117.59 2yus h GLN 24 Ca 0.77 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 59.27 2yus h GLN 24 Cb 2.53 0.03 0.00 0.00 1.07 0.00 0.00 27.48 31.10 2yus h GLN 24 CO -0.30 -0.00 -0.11 0.93 -2.65 0.00 0.00 178.83 176.69 2yus h GLU 25 N -0.21 -0.30 -0.90 1.69 4.39 -0.71 -2.78 114.58 115.76 2yus h GLU 25 Ca -0.01 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.86 2yus h GLU 25 Cb 0.17 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 28.74 2yus h GLU 25 CO 0.02 -0.01 -0.36 1.15 -1.16 0.00 0.00 179.01 178.65 2yus h THR 26 N -0.58 0.05 -0.40 1.13 2.02 -1.20 0.33 112.91 114.26 2yus h THR 26 Ca -0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.18 2yus h THR 26 Cb 0.42 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 2yus h THR 26 CO 0.05 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 176.06 2yus h LEU 27 N -0.04 0.27 -0.11 2.58 3.38 -1.45 -2.43 115.31 117.52 2yus h LEU 27 Ca 0.34 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.36 2yus h LEU 27 Cb 0.60 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2yus h LEU 27 CO -0.92 0.20 -0.12 -0.07 0.09 0.00 0.00 178.44 177.62 2yus h LEU 28 N 0.39 -0.38 -0.55 1.67 3.38 -0.18 0.35 115.31 119.99 2yus h LEU 28 Ca 0.17 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.33 2yus h LEU 28 Cb 0.09 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2yus h LEU 28 CO -0.13 -0.16 -0.01 0.25 0.09 0.00 0.00 178.44 178.48 2yus h LEU 29 N -0.16 -0.25 -0.80 1.67 5.85 -0.57 -0.16 115.31 120.89 2yus h LEU 29 Ca 0.08 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2yus h LEU 29 Cb 0.27 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2yus h LEU 29 CO -0.20 -0.10 0.16 -0.07 -0.34 0.00 0.00 178.44 177.90 2yus h LEU 30 N 0.11 1.00 -0.02 2.25 3.38 -0.96 -0.64 115.31 120.44 2yus h LEU 30 Ca 0.28 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2yus h LEU 30 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2yus h LEU 30 CO -0.47 0.96 -0.12 -0.33 0.09 0.00 0.00 178.44 178.57 2yus h GLU 31 N 1.01 -0.19 -0.06 1.13 4.39 0.80 -2.23 114.58 119.43 2yus h GLU 31 Ca 0.21 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 2yus h GLU 31 Cb 0.35 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2yus h GLU 31 CO 0.00 -0.12 -0.43 0.00 -1.16 0.00 0.00 179.01 177.29 2yus h ALA 32 N 0.79 1.17 0.00 3.43 0.00 -1.13 -2.57 119.26 120.95 2yus h ALA 32 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2yus h ALA 32 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2yus h ALA 32 CO -0.14 0.58 0.00 1.28 0.00 0.00 0.00 179.25 180.98 2yus n LEU 33 N -4.01 0.21 -0.06 0.00 4.77 -0.26 0.12 117.00 117.76 2yus n LEU 33 Ca -0.02 0.59 -0.13 0.00 -0.03 0.00 0.00 56.01 56.43 2yus n LEU 33 Cb 0.48 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.81 2yus n LEU 33 CO 0.41 -0.64 -0.92 -0.62 -1.33 0.00 0.00 177.39 174.29 2yus n GLU 34 N -1.78 0.68 -0.10 3.23 1.02 -0.97 -3.54 120.64 119.18 2yus n GLU 34 Ca -0.00 0.16 -0.16 0.00 -0.02 0.00 0.00 57.16 57.14 2yus n GLU 34 Cb 0.03 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 29.75 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 -3.05 0.54 -1.25 3.49 2.81 -0.38 -4.53 117.12 114.76 2yus n MET 35 Ca -0.29 0.31 -0.28 0.00 -1.81 0.00 0.00 57.70 55.62 2yus n MET 35 Cb 1.08 -1.52 0.13 0.00 -0.71 0.00 0.00 33.22 32.20 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 -4.42 3.07 -0.30 2.03 4.01 0.31 -4.76 117.16 117.11 2yus n TYR 36 Ca -0.27 -2.34 -0.05 0.00 -0.16 0.00 0.00 57.90 55.08 2yus n TYR 36 Cb 0.61 -1.16 -0.03 0.00 -0.31 0.00 0.00 39.34 38.44 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 -1.00 -0.27 0.02 -0.72 2.85 -1.05 -1.41 118.16 116.59 2yus n LYS 37 Ca 0.60 1.12 -0.22 0.00 -1.05 0.00 0.00 58.31 58.76 2yus n LYS 37 Cb 1.21 -1.65 -0.14 0.00 -0.65 0.00 0.00 35.03 33.79 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 0.46 -0.07 -5.58 3.04 -1.88 -3.42 116.42 108.97 2yus h ASP 38 Ca 0.17 -0.90 -0.31 0.00 -3.24 0.00 0.00 57.03 52.76 2yus h ASP 38 Cb 0.35 -0.15 0.06 0.00 -1.04 0.00 0.00 39.33 38.56 2yus h ASP 38 CO -0.71 1.75 0.78 0.47 -2.04 0.00 0.00 179.24 179.49 2yus n ASP 39 N -3.70 1.40 0.26 4.15 8.00 -0.50 -4.63 116.55 121.52 2yus n ASP 39 Ca -0.27 -2.52 0.12 0.00 0.71 0.00 0.00 54.79 52.82 2yus n ASP 39 Cb 0.99 -1.20 0.70 0.00 -0.02 0.00 0.00 41.12 41.60 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 10.62 0.00 -0.42 1.24 4.06 -1.81 -2.73 115.95 126.91 2yus h TRP 40 Ca 0.15 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.18 2yus h TRP 40 Cb 0.85 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.92 2yus h TRP 40 CO 1.03 0.12 -0.31 -2.95 -3.56 0.00 0.00 178.44 172.77 2yus h ASN 41 N 0.00 -1.04 0.30 -3.49 -1.07 -1.91 -2.16 115.58 106.21 2yus h ASN 41 Ca -0.00 0.19 -0.29 0.00 0.07 0.00 0.00 56.30 56.27 2yus h ASN 41 Cb 0.32 0.50 0.02 0.00 -2.07 0.00 0.00 38.32 37.09 2yus h ASN 41 CO 0.02 -0.31 -1.24 0.11 0.07 0.00 0.00 177.43 176.08 2yus h LYS 42 N -0.23 0.49 -0.90 4.14 1.57 -1.91 -3.33 116.57 116.41 2yus h LYS 42 Ca 0.18 -0.70 0.22 0.00 -1.87 0.00 0.00 60.65 58.48 2yus h LYS 42 Cb 0.53 0.24 -0.17 0.00 0.08 0.00 0.00 32.23 32.91 2yus h LYS 42 CO -0.55 1.31 -0.10 0.28 -0.57 0.00 0.00 179.45 179.82 2yus n VAL 43 N -3.71 -0.38 -0.14 0.50 0.31 -0.84 0.23 118.33 114.30 2yus n VAL 43 Ca -0.12 2.03 0.00 0.00 -0.01 0.00 0.00 64.34 66.25 2yus n VAL 43 Cb 0.99 -2.89 0.28 0.00 -0.91 0.00 0.00 33.84 31.31 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 0.73 0.08 4.52 4.64 -1.58 -3.02 113.55 118.93 2yus h SER 44 Ca 0.49 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2yus h SER 44 Cb 0.90 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2yus h SER 44 CO -0.89 0.59 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.29 2yus h GLU 45 N 0.83 -0.11 -0.94 4.77 4.39 0.28 -3.04 114.58 120.77 2yus h GLU 45 Ca 0.21 0.01 0.33 0.00 0.34 0.00 0.00 59.36 60.25 2yus h GLU 45 Cb 0.02 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 28.52 2yus h GLU 45 CO -0.04 0.43 0.27 1.58 -1.16 0.00 0.00 179.01 180.09 2yus n HIS 46 N -4.84 0.85 0.20 4.33 -0.00 0.93 -1.02 115.22 115.68 2yus n HIS 46 Ca -0.08 1.12 -0.08 0.00 0.46 0.00 0.00 57.72 59.13 2yus n HIS 46 Cb 0.29 -1.36 -0.04 0.00 -0.12 0.00 0.00 29.99 28.76 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 -1.59 -3.49 116.25 116.82 2yus h VAL 47 Ca 0.68 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.90 2yus h VAL 47 Cb 1.65 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 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 -0.04 1.43 2.75 2.17 0.00 -0.18 -4.91 105.19 106.40 2yus n GLY 48 Ca -0.07 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 7.31 -3.77 1.61 7.64 -1.26 -4.83 113.62 120.32 2yus n SER 49 Ca 0.00 -3.64 -0.13 0.00 1.01 0.00 0.00 58.87 56.12 2yus n SER 49 Cb 0.00 -1.14 -0.12 0.00 -1.01 0.00 0.00 64.21 61.95 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 -3.44 0.30 0.27 1.43 1.81 -1.26 -5.11 118.95 112.95 2yus s ARG 50 Ca 0.51 0.40 0.02 0.00 -1.72 0.00 0.00 55.73 54.94 2yus s ARG 50 Cb 0.37 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.96 2yus s ARG 50 CO -0.31 -0.05 0.44 -0.08 -0.68 0.00 0.00 175.30 174.62 2yus s THR 51 N 0.29 5.19 0.12 0.02 -1.32 -1.26 -4.40 115.64 114.28 2yus s THR 51 Ca -0.01 -0.62 -0.26 0.00 -1.21 0.00 0.00 61.69 59.59 2yus s THR 51 Cb -0.03 -3.83 -0.07 0.00 -1.51 0.00 0.00 72.50 67.07 2yus s THR 51 CO -0.01 -0.38 1.44 1.56 -2.21 0.00 0.00 174.62 175.02 2yus h GLN 52 N 1.22 -0.08 -0.20 7.08 4.20 -1.90 0.78 115.11 126.22 2yus h GLN 52 Ca -0.50 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.24 2yus h GLN 52 Cb 1.22 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 2yus h GLN 52 CO 0.63 -0.05 -0.34 -0.44 -0.67 0.00 0.00 178.83 177.96 2yus h ASP 53 N -0.08 -1.10 -0.61 1.46 5.19 -1.95 -1.12 116.42 118.21 2yus h ASP 53 Ca 0.11 0.14 0.07 0.00 -0.62 0.00 0.00 57.03 56.74 2yus h ASP 53 Cb 0.37 0.45 -0.10 0.00 0.18 0.00 0.00 39.33 40.23 2yus h ASP 53 CO -0.70 -0.26 -0.52 -0.33 -3.12 0.00 0.00 179.24 174.31 2yus h GLU 54 N -0.28 -0.24 -0.63 3.56 4.39 -1.74 -0.89 114.58 118.75 2yus h GLU 54 Ca 0.04 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.85 2yus h GLU 54 Cb 0.38 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.97 2yus h GLU 54 CO -0.33 -0.16 -0.42 0.00 -1.16 0.00 0.00 179.01 176.95 2yus h ILE 56 N -0.19 0.25 0.27 0.00 2.04 0.07 -2.25 117.51 117.70 2yus h ILE 56 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2yus h ILE 56 Cb 0.56 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2yus h ILE 56 CO -0.72 0.00 -0.51 -0.07 0.00 0.00 0.00 178.15 176.85 2yus h LEU 57 N -0.22 -1.49 -0.97 1.44 3.38 -0.33 -1.68 115.31 115.44 2yus h LEU 57 Ca 0.18 0.14 0.33 0.00 0.09 0.00 0.00 57.88 58.62 2yus h LEU 57 Cb 0.52 0.53 -0.18 0.00 0.09 0.00 0.00 40.66 41.62 2yus h LEU 57 CO -0.54 -0.59 0.23 1.57 0.09 0.00 0.00 178.44 179.20 2yus n HIS 58 N -5.43 0.84 -0.01 1.13 -0.00 -0.41 0.72 115.22 112.06 2yus n HIS 58 Ca -0.10 1.16 -0.12 0.00 0.46 0.00 0.00 57.72 59.13 2yus n HIS 58 Cb 0.42 -1.37 -0.06 0.00 -0.12 0.00 0.00 29.99 28.86 2yus n HIS 58 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 2yus h PHE 59 N 0.00 0.12 -0.90 1.57 3.57 -0.77 -2.58 116.94 117.95 2yus h PHE 59 Ca 0.69 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 62.40 2yus h PHE 59 Cb 1.63 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 40.27 2yus h PHE 59 CO -0.29 0.23 0.61 -0.07 -2.23 0.00 0.00 178.31 176.56 2yus h LEU 60 N -0.02 0.29 -0.10 0.59 -0.00 0.94 -0.58 115.31 116.43 2yus h LEU 60 Ca 0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2yus h LEU 60 Cb 0.16 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2yus h LEU 60 CO -0.00 0.11 0.05 0.03 -0.00 0.00 0.00 178.44 178.62 2yus h ARG 61 N 0.29 0.14 -4.54 1.13 2.47 -0.96 -3.45 114.38 109.46 2yus h ARG 61 Ca 0.46 -0.02 -0.47 0.00 -1.26 0.00 0.00 59.98 58.69 2yus h ARG 61 Cb 1.34 -0.03 0.12 0.00 -1.65 0.00 0.00 29.97 29.75 2yus h ARG 61 CO -0.14 0.21 -0.76 1.28 0.56 0.00 0.00 179.97 181.13 2yus n LEU 62 N -4.95 -2.34 -4.59 3.04 4.77 -0.23 -4.92 117.00 107.79 2yus n LEU 62 Ca -0.05 0.58 -0.30 0.00 -0.03 0.00 0.00 56.01 56.21 2yus n LEU 62 Cb 0.09 -0.66 0.24 0.00 -2.33 0.00 0.00 43.42 40.76 2yus n LEU 62 CO 0.34 -3.30 0.62 -2.16 -1.33 0.00 0.00 177.39 171.56 2yus s PRO 63 N -0.76 -1.30 0.60 3.23 0.04 -1.26 -4.79 135.00 130.76 2yus s PRO 63 Ca 0.44 -0.09 0.29 0.00 0.04 0.00 0.00 61.00 61.68 2yus s PRO 63 Cb -0.45 -1.59 0.99 0.00 0.04 0.00 0.00 34.50 33.48 2yus s PRO 63 CO 0.48 -3.76 1.31 0.44 0.04 0.00 0.00 177.00 175.52 2yus n ILE 64 N -4.79 0.00 -1.51 0.56 -0.00 -1.26 -4.35 119.36 108.02 2yus n ILE 64 Ca 0.13 1.27 -0.42 0.00 -0.00 0.00 0.00 62.75 63.74 2yus n ILE 64 Cb 0.60 -2.26 -0.07 0.00 -0.00 0.00 0.00 39.64 37.90 2yus n ILE 64 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2yus n GLU 65 N -3.30 0.84 -3.95 6.28 1.02 -1.26 -4.92 120.64 115.35 2yus n GLU 65 Ca 0.25 0.11 -0.21 0.00 -0.02 0.00 0.00 57.16 57.30 2yus n GLU 65 Cb 1.58 -2.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 2yus n GLU 65 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2yus s ASP 66 N 9.74 6.30 0.00 1.62 1.01 -1.26 -4.98 116.67 129.10 2yus s ASP 66 Ca 1.11 0.06 0.07 0.00 0.71 0.00 0.00 52.55 54.50 2yus s ASP 66 Cb -0.66 -1.83 0.41 0.00 1.01 0.00 0.00 42.92 41.85 2yus s ASP 66 CO 0.39 -0.08 0.87 -0.81 0.21 0.00 0.00 175.17 175.75 2yus n PRO 67 N -1.42 0.49 -2.75 8.23 -0.04 -1.26 -4.80 135.00 133.45 2yus n PRO 67 Ca -0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.20 2yus n PRO 67 Cb 0.57 -1.22 0.02 0.00 -0.04 0.00 0.00 33.50 32.83 2yus n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2yus n TYR 68 N -0.72 -1.41 -1.66 0.54 4.02 -1.26 -4.86 117.16 111.81 2yus n TYR 68 Ca 0.05 0.33 -0.57 0.00 -0.01 0.00 0.00 57.90 57.70 2yus n TYR 68 Cb 0.02 -3.74 -0.07 0.00 -0.02 0.00 0.00 39.34 35.53 2yus n TYR 68 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2yus n LEU 69 N -3.10 2.26 -2.67 7.72 4.77 -1.26 -1.25 117.00 123.47 2yus n LEU 69 Ca -0.12 0.98 -0.11 0.00 -0.03 0.00 0.00 56.01 56.73 2yus n LEU 69 Cb 0.61 -1.14 0.06 0.00 -2.33 0.00 0.00 43.42 40.62 2yus n LEU 69 CO 0.35 -0.48 0.06 -0.62 -1.33 0.00 0.00 177.39 175.36 2yus n GLU 70 N 5.82 -3.54 -4.48 3.23 -0.58 -1.26 -5.05 120.64 114.78 2yus n GLU 70 Ca 0.30 0.58 -0.24 0.00 -0.42 0.00 0.00 57.16 57.39 2yus n GLU 70 Cb 0.13 -4.68 -0.10 0.00 -0.57 0.00 0.00 31.44 26.21 2yus n GLU 70 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2yus s ASN 71 N -3.71 3.33 -0.95 1.62 3.84 -0.38 -5.03 114.94 113.65 2yus s ASN 71 Ca 0.10 -1.15 -0.32 0.00 0.21 0.00 0.00 52.86 51.70 2yus s ASN 71 Cb -0.01 -0.27 -0.22 0.00 -0.55 0.00 0.00 41.25 40.20 2yus s ASN 71 CO 0.50 -0.19 2.64 -1.20 -2.79 0.00 0.00 177.10 176.06 2yus n SER 72 N -0.66 0.33 -2.89 -4.21 7.64 -1.26 -4.80 113.62 107.77 2yus n SER 72 Ca -0.05 0.22 -0.11 0.00 1.01 0.00 0.00 58.87 59.93 2yus n SER 72 Cb 0.63 -0.92 0.01 0.00 -1.01 0.00 0.00 64.21 62.92 2yus n SER 72 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yus n ASP 73 N 10.21 -1.95 -3.37 6.43 2.03 -1.26 -5.17 116.55 123.47 2yus n ASP 73 Ca 0.65 -2.73 -0.31 0.00 0.52 0.00 0.00 54.79 52.92 2yus n ASP 73 Cb 0.02 3.35 0.28 0.00 -0.72 0.00 0.00 41.12 44.06 2yus n ASP 73 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2yus s SER 74 N -3.13 -0.82 0.00 1.67 0.01 -1.26 -5.04 113.70 105.13 2yus s SER 74 Ca 0.21 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.16 2yus s SER 74 Cb -0.03 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2yus s SER 74 CO 0.16 -5.19 0.00 0.61 0.41 0.00 0.00 173.24 169.22 2yus n GLY 75 N 0.76 -1.75 0.16 3.44 0.00 -1.26 -5.06 105.19 101.48 2yus n GLY 75 Ca 0.15 0.68 -0.13 0.00 0.00 0.00 0.00 46.02 46.72 2yus n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yus h PRO 76 N 0.00 0.48 -1.46 1.61 0.13 -2.09 -3.47 132.00 127.20 2yus h PRO 76 Ca 0.00 -0.25 0.10 0.00 -0.87 0.00 0.00 66.00 64.98 2yus h PRO 76 Cb 0.00 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 30.88 2yus h PRO 76 CO 0.00 0.83 0.59 -1.54 -0.23 0.00 0.00 178.00 177.65 2yus s SER 77 N -6.27 -0.33 -0.30 1.44 1.04 -1.26 -5.16 113.70 102.86 2yus s SER 77 Ca -0.13 0.53 -0.13 0.00 0.48 0.00 0.00 55.95 56.69 2yus s SER 77 Cb 0.06 0.50 0.18 0.00 0.10 0.00 0.00 66.02 66.86 2yus s SER 77 CO 0.78 -0.19 1.04 -0.94 0.98 0.00 0.00 173.24 174.92 2yus s SER 78 N -0.36 -0.48 0.00 7.02 1.04 -1.26 -5.28 113.70 114.39 2yus s SER 78 Ca 0.03 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2yus s SER 78 Cb -0.03 1.43 0.00 0.00 0.10 0.00 0.00 66.02 67.52 2yus s SER 78 CO -0.05 -0.09 0.17 0.61 0.98 0.00 0.00 173.24 174.86