#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wim n SER 2 N 0.00 1.30 -4.68 1.61 7.64 -1.26 -4.86 113.62 113.37 1wim n SER 2 Ca 0.00 -0.56 -0.42 0.00 1.01 0.00 0.00 58.87 58.90 1wim n SER 2 Cb 0.00 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 1wim n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wim s SER 3 N 9.83 6.81 -0.10 6.43 0.01 -1.26 -5.00 113.70 130.42 1wim s SER 3 Ca 1.10 2.12 -0.04 0.00 1.31 0.00 0.00 55.95 60.43 1wim s SER 3 Cb -0.50 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.23 1wim s SER 3 CO 0.31 -0.78 0.21 -0.83 0.41 0.00 0.00 173.24 172.57 1wim s GLY 4 N 2.20 -0.05 -0.07 3.44 0.00 -1.26 -5.13 107.32 106.46 1wim s GLY 4 Ca 0.65 0.77 -0.03 0.00 0.00 0.00 0.00 44.72 46.12 1wim s GLY 4 CO 0.26 1.67 0.08 -1.35 0.00 0.00 0.00 173.10 173.76 1wim s SER 5 N 2.10 1.26 0.15 1.64 1.04 -1.26 -3.58 113.70 115.05 1wim s SER 5 Ca -0.00 0.01 0.23 0.00 0.48 0.00 0.00 55.95 56.66 1wim s SER 5 Cb -0.12 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1wim s SER 5 CO -0.07 -0.26 0.97 -0.24 0.98 0.00 0.00 173.24 174.61 1wim n SER 6 N 5.30 0.69 -0.42 7.02 2.88 -1.08 -4.96 113.62 123.06 1wim n SER 6 Ca -0.04 0.23 0.01 0.00 -1.33 0.00 0.00 58.87 57.74 1wim n SER 6 Cb 0.50 0.70 -0.01 0.00 -0.75 0.00 0.00 64.21 64.65 1wim n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wim n GLY 7 N 1.21 -3.08 3.67 0.46 0.00 -1.26 -5.04 105.19 101.16 1wim n GLY 7 Ca -0.00 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 1wim n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wim n LYS 9 N -1.07 0.49 0.00 0.00 5.02 -1.26 -3.68 118.16 117.65 1wim n LYS 9 Ca -0.03 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1wim n LYS 9 Cb 0.64 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1wim n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wim n LEU 10 N -3.55 0.25 0.21 -0.35 4.77 -1.26 -3.92 117.00 113.15 1wim n LEU 10 Ca -0.40 0.70 0.10 0.00 -0.03 0.00 0.00 56.01 56.39 1wim n LEU 10 Cb 0.84 -0.39 0.36 0.00 -2.33 0.00 0.00 43.42 41.91 1wim n LEU 10 CO 0.11 -0.39 0.77 0.00 -1.33 0.00 0.00 177.39 176.55 1wim n LEU 12 N -3.26 -3.04 -4.93 0.00 4.77 -1.24 -4.99 117.00 104.31 1wim n LEU 12 Ca 0.01 -0.64 -0.22 0.00 -0.03 0.00 0.00 56.01 55.13 1wim n LEU 12 Cb 0.49 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.74 1wim n LEU 12 CO 0.34 0.58 0.10 -0.83 -1.33 0.00 0.00 177.39 176.25 1wim s GLY 13 N -3.31 2.11 -0.23 -0.72 0.00 -1.26 -4.74 107.32 99.17 1wim s GLY 13 Ca 0.62 -1.73 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1wim s GLY 13 CO 0.77 -1.76 0.25 -0.54 0.00 0.00 0.00 173.10 171.82 1wim s GLU 14 N -4.31 4.11 0.01 2.90 2.02 -1.26 -2.48 118.70 119.69 1wim s GLU 14 Ca 0.47 -0.09 -0.11 0.00 0.02 0.00 0.00 54.97 55.26 1wim s GLU 14 Cb -0.04 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.66 1wim s GLU 14 CO 0.29 0.02 0.24 0.71 0.02 0.00 0.00 175.26 176.53 1wim s TYR 15 N 1.16 -0.05 0.19 1.61 1.51 -1.26 -5.01 117.35 115.50 1wim s TYR 15 Ca 0.12 -0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 55.85 1wim s TYR 15 Cb -0.14 0.03 -0.09 0.00 -0.11 0.00 0.00 41.96 41.65 1wim s TYR 15 CO 0.06 -0.39 1.30 -1.25 -1.11 0.00 0.00 175.55 174.16 1wim s PRO 16 N -1.88 4.39 0.33 -1.71 0.04 -1.24 -2.63 135.00 132.31 1wim s PRO 16 Ca -0.10 2.04 0.12 0.00 0.04 0.00 0.00 61.00 63.10 1wim s PRO 16 Cb -0.04 -3.20 0.96 0.00 0.04 0.00 0.00 34.50 32.26 1wim s PRO 16 CO 0.00 -0.25 1.72 -0.24 0.04 0.00 0.00 177.00 178.27 1wim h VAL 17 N 3.77 0.49 -0.94 -0.36 3.04 -1.92 0.40 116.25 120.73 1wim h VAL 17 Ca -0.45 -0.17 0.20 0.00 -1.01 0.00 0.00 66.70 65.27 1wim h VAL 17 Cb 1.21 -0.07 -0.08 0.00 -2.01 0.00 0.00 31.29 30.35 1wim h VAL 17 CO 0.77 0.09 0.60 1.05 -1.01 0.00 0.00 177.57 179.08 1wim h GLU 18 N 0.51 0.51 0.17 4.17 4.11 -1.93 -1.15 114.58 120.97 1wim h GLU 18 Ca 0.66 -0.03 -0.33 0.00 0.07 0.00 0.00 59.36 59.73 1wim h GLU 18 Cb 1.36 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1wim h GLU 18 CO -0.48 0.34 -1.61 1.96 0.07 0.00 0.00 179.01 179.29 1wim h GLN 19 N 0.53 0.37 -7.17 1.06 4.20 -0.62 -3.47 115.11 110.01 1wim h GLN 19 Ca 0.50 -0.63 -0.54 0.00 0.06 0.00 0.00 58.65 58.05 1wim h GLN 19 Cb 1.07 0.23 0.16 0.00 0.30 0.00 0.00 27.48 29.24 1wim h GLN 19 CO -0.23 1.27 0.41 -1.64 -0.67 0.00 0.00 178.83 177.96 1wim s MET 20 N -2.60 2.20 -0.07 1.46 -1.94 -0.44 -3.53 119.30 114.37 1wim s MET 20 Ca -0.12 1.79 0.03 0.00 -1.71 0.00 0.00 55.69 55.68 1wim s MET 20 Cb 0.06 -1.84 0.01 0.00 2.01 0.00 0.00 34.83 35.07 1wim s MET 20 CO 0.87 -1.80 -0.16 0.99 -0.01 0.00 0.00 175.02 174.92 1wim s THR 21 N -1.92 1.42 -0.26 2.05 2.01 0.80 -4.87 115.64 114.87 1wim s THR 21 Ca 0.75 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 1wim s THR 21 Cb -0.30 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1wim s THR 21 CO 0.44 0.42 0.14 -0.89 -0.69 0.00 0.00 174.62 174.04 1wim s THR 22 N 0.55 4.98 0.06 -0.82 2.01 -1.26 -0.98 115.64 120.18 1wim s THR 22 Ca -0.16 0.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.59 1wim s THR 22 Cb -0.16 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1wim s THR 22 CO 0.05 0.31 1.18 -0.63 -0.69 0.00 0.00 174.62 174.84 1wim s ILE 23 N 1.50 4.08 -0.52 1.82 1.01 -0.42 -4.91 121.20 123.76 1wim s ILE 23 Ca 0.07 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.25 1wim s ILE 23 Cb -0.15 -3.96 0.26 0.00 0.01 0.00 0.00 42.46 38.61 1wim s ILE 23 CO 0.07 0.12 1.07 0.00 0.00 0.00 0.00 174.94 176.20 1wim n ALA 24 N 3.88 3.19 -0.04 9.38 0.00 -1.26 -1.96 120.51 133.71 1wim n ALA 24 Ca 0.09 -0.77 -0.07 0.00 0.00 0.00 0.00 53.44 52.69 1wim n ALA 24 Cb 0.47 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1wim n ALA 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wim n GLN 25 N 0.11 0.16 -0.73 0.00 1.13 -1.26 -4.81 117.38 111.97 1wim n GLN 25 Ca 0.14 0.06 0.05 0.00 -1.94 0.00 0.00 57.00 55.31 1wim n GLN 25 Cb 0.70 -0.86 0.11 0.00 0.11 0.00 0.00 30.24 30.29 1wim n GLN 25 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wim n GLN 27 N -0.54 -0.92 -4.00 0.00 3.00 -0.83 -4.90 117.38 109.18 1wim n GLN 27 Ca 0.12 0.09 -0.35 0.00 -0.01 0.00 0.00 57.00 56.85 1wim n GLN 27 Cb 0.81 -3.52 -0.14 0.00 0.00 0.00 0.00 30.24 27.39 1wim n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wim s ILE 29 N 1.33 4.91 -0.11 0.00 2.07 -1.26 -1.30 121.20 126.83 1wim s ILE 29 Ca 0.04 0.91 -0.18 0.00 -1.41 0.00 0.00 60.65 60.01 1wim s ILE 29 Cb -0.14 -3.77 0.04 0.00 0.13 0.00 0.00 42.46 38.72 1wim s ILE 29 CO -0.02 0.46 0.46 -0.36 -1.91 0.00 0.00 174.94 173.57 1wim s PHE 30 N -1.22 -0.45 0.07 3.50 0.08 -0.15 -4.64 117.98 115.18 1wim s PHE 30 Ca 0.30 0.97 -0.31 0.00 0.12 0.00 0.00 56.93 58.01 1wim s PHE 30 Cb -0.17 0.19 -0.07 0.00 -0.57 0.00 0.00 43.02 42.41 1wim s PHE 30 CO 0.17 -0.35 1.31 0.00 -0.10 0.00 0.00 175.22 176.26 1wim n THR 32 N 4.06 -0.26 -0.01 0.00 -1.04 -1.23 -0.42 114.28 115.38 1wim n THR 32 Ca 0.11 1.36 -0.01 0.00 -2.04 0.00 0.00 64.05 63.46 1wim n THR 32 Cb 0.44 -1.97 -0.01 0.00 -1.82 0.00 0.00 70.33 66.97 1wim n THR 32 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wim h LEU 33 N 0.00 -0.18 -0.04 -4.42 3.38 -1.90 0.67 115.31 112.82 1wim h LEU 33 Ca 0.37 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.38 1wim h LEU 33 Cb 0.74 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1wim h LEU 33 CO -0.58 -0.04 -0.49 0.00 0.09 0.00 0.00 178.44 177.41 1wim h LEU 35 N -0.59 0.55 0.36 0.00 3.38 -1.22 0.53 115.31 118.33 1wim h LEU 35 Ca 0.02 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1wim h LEU 35 Cb 0.65 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wim h LEU 35 CO -0.35 -0.00 -0.17 0.50 0.09 0.00 0.00 178.44 178.51 1wim h LYS 36 N 0.43 -0.46 -0.32 1.13 3.64 0.20 -1.26 116.57 119.93 1wim h LYS 36 Ca 0.68 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 60.19 1wim h LYS 36 Cb 1.52 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.43 1wim h LYS 36 CO -0.49 -0.31 0.27 1.96 -2.27 0.00 0.00 179.45 178.61 1wim h GLN 37 N -0.57 0.00 0.00 1.90 4.20 -0.48 -1.58 115.11 118.59 1wim h GLN 37 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1wim h GLN 37 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wim h GLN 37 CO 0.08 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 179.22 1wim n TYR 38 N -4.16 0.00 0.24 2.96 9.36 0.18 -0.90 117.16 124.83 1wim n TYR 38 Ca 0.05 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.37 1wim n TYR 38 Cb 0.44 -0.37 0.52 0.00 -0.63 0.00 0.00 39.34 39.29 1wim n TYR 38 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1wim h VAL 39 N 0.00 0.00 0.08 2.97 -1.51 -1.14 0.86 116.25 117.52 1wim h VAL 39 Ca 0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.28 1wim h VAL 39 Cb 0.00 0.42 -0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1wim h VAL 39 CO 0.00 0.00 -0.96 -0.33 -1.23 0.00 0.00 177.57 175.05 1wim h GLU 40 N 0.00 0.18 -0.17 5.19 5.08 -1.24 -2.91 114.58 120.71 1wim h GLU 40 Ca 0.00 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1wim h GLU 40 Cb 0.69 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1wim h GLU 40 CO 0.00 1.15 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.96 1wim h LEU 41 N -0.55 0.26 0.35 1.33 3.38 0.11 -1.87 115.31 118.32 1wim h LEU 41 Ca -0.21 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1wim h LEU 41 Cb 1.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1wim h LEU 41 CO 0.04 0.42 -0.17 -0.07 0.09 0.00 0.00 178.44 178.75 1wim h LEU 42 N 0.26 -0.39 -0.33 1.67 3.38 -1.47 -3.19 115.31 115.24 1wim h LEU 42 Ca 0.05 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1wim h LEU 42 Cb 0.39 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1wim h LEU 42 CO 0.02 0.02 -0.32 0.40 0.09 0.00 0.00 178.44 178.65 1wim h ILE 43 N -1.07 0.24 -0.93 1.22 2.04 -1.52 -0.73 117.51 116.77 1wim h ILE 43 Ca -0.05 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.07 1wim h ILE 43 Cb 0.36 0.24 -0.17 0.00 -0.74 0.00 0.00 36.82 36.51 1wim h ILE 43 CO 0.08 0.00 0.09 0.11 0.00 0.00 0.00 178.15 178.43 1wim h LYS 44 N -0.29 0.06 0.28 2.37 1.79 -1.47 0.33 116.57 119.65 1wim h LYS 44 Ca 0.15 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1wim h LYS 44 Cb 0.54 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 1wim h LYS 44 CO -0.49 0.04 -0.41 1.49 -1.08 0.00 0.00 179.45 179.00 1wim h GLU 45 N 0.07 -0.73 0.00 3.15 4.81 -1.12 -3.46 114.58 117.30 1wim h GLU 45 Ca 0.57 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1wim h GLU 45 Cb 1.16 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1wim h GLU 45 CO -0.82 -0.49 0.00 0.41 -0.73 0.00 0.00 179.01 177.39 1wim n GLY 46 N -1.49 2.92 0.38 1.92 0.00 0.10 -4.89 105.19 104.13 1wim n GLY 46 Ca -0.09 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 1wim n GLY 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wim h LEU 47 N 0.00 -1.52 -7.65 0.99 6.46 -1.86 -3.11 115.31 108.62 1wim h LEU 47 Ca 0.00 0.20 -0.77 0.00 -0.12 0.00 0.00 57.88 57.18 1wim h LEU 47 Cb 0.00 0.62 -0.24 0.00 -0.73 0.00 0.00 40.66 40.31 1wim h LEU 47 CO 0.00 -0.34 0.79 -0.70 -0.62 0.00 0.00 178.44 177.57 1wim s GLU 48 N -5.18 4.13 0.33 1.25 2.12 -1.26 -4.86 118.70 115.23 1wim s GLU 48 Ca -0.12 -2.91 0.08 0.00 0.36 0.00 0.00 54.97 52.38 1wim s GLU 48 Cb 0.07 -4.75 0.81 0.00 0.26 0.00 0.00 34.13 30.51 1wim s GLU 48 CO 0.50 -1.46 1.79 0.00 -0.54 0.00 0.00 175.26 175.56 1wim h THR 49 N 4.14 0.71 -3.94 -1.70 1.03 -1.88 -3.42 112.91 107.84 1wim h THR 49 Ca 0.23 -0.24 -0.53 0.00 -0.01 0.00 0.00 66.41 65.86 1wim h THR 49 Cb 0.88 -0.05 0.08 0.00 -1.07 0.00 0.00 68.15 67.99 1wim h THR 49 CO 1.09 0.13 0.61 0.00 -0.01 0.00 0.00 175.52 177.35 1wim s ALA 50 N -5.77 3.27 -0.75 0.00 0.00 -1.26 -4.88 121.76 112.38 1wim s ALA 50 Ca -0.11 1.24 -0.07 0.00 0.00 0.00 0.00 51.96 53.02 1wim s ALA 50 Cb 0.24 -3.49 0.19 0.00 0.00 0.00 0.00 23.12 20.07 1wim s ALA 50 CO 0.80 -0.82 0.63 0.42 0.00 0.00 0.00 175.76 176.79 1wim s ILE 51 N -1.26 4.60 1.09 0.00 -1.09 -1.26 -4.97 121.20 118.31 1wim s ILE 51 Ca 0.56 -2.89 -0.18 0.00 -2.23 0.00 0.00 60.65 55.91 1wim s ILE 51 Cb -0.38 -3.90 0.27 0.00 -1.58 0.00 0.00 42.46 36.87 1wim s ILE 51 CO 0.49 -0.97 1.00 -0.24 -1.23 0.00 0.00 174.94 174.00 1wim n SER 52 N 3.52 -1.80 -4.74 3.58 2.88 -1.26 -0.32 113.62 115.49 1wim n SER 52 Ca 0.12 -1.13 -0.41 0.00 -1.33 0.00 0.00 58.87 56.12 1wim n SER 52 Cb 0.41 -0.90 -0.05 0.00 -0.75 0.00 0.00 64.21 62.92 1wim n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wim n PRO 54 N 2.25 0.49 -3.62 0.00 -0.04 -1.26 -4.60 135.00 128.22 1wim n PRO 54 Ca 0.01 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.08 1wim n PRO 54 Cb 0.47 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 1wim n PRO 54 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wim s ASP 55 N -1.76 5.73 0.33 3.54 2.15 -1.26 -4.96 116.67 120.44 1wim s ASP 55 Ca 0.12 -0.43 0.13 0.00 0.43 0.00 0.00 52.55 52.80 1wim s ASP 55 Cb 0.05 -2.05 0.57 0.00 -0.30 0.00 0.00 42.92 41.19 1wim s ASP 55 CO 0.09 -0.19 1.72 0.00 -0.17 0.00 0.00 175.17 176.63 1wim h ALA 56 N 8.39 1.14 -0.99 3.66 0.00 -2.04 -3.06 119.26 126.35 1wim h ALA 56 Ca -0.32 -0.44 -0.69 0.00 0.00 0.00 0.00 54.91 53.46 1wim h ALA 56 Cb 1.15 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.58 1wim h ALA 56 CO 0.61 0.60 0.84 0.00 0.00 0.00 0.00 179.25 181.31 1wim n ALA 57 N -2.42 6.32 -2.57 0.00 0.00 -1.26 -4.94 120.51 115.64 1wim n ALA 57 Ca -0.01 -3.56 -0.43 0.00 0.00 0.00 0.00 53.44 49.43 1wim n ALA 57 Cb 0.51 -1.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 1wim n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wim n PRO 59 N 6.90 0.09 -0.05 0.00 -0.04 -1.26 -2.44 135.00 138.20 1wim n PRO 59 Ca 0.03 0.21 -0.01 0.00 -0.04 0.00 0.00 63.50 63.68 1wim n PRO 59 Cb 0.48 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 1wim n PRO 59 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wim n LYS 60 N -1.40 1.08 -3.82 0.54 4.76 -1.26 -5.02 118.16 113.03 1wim n LYS 60 Ca 0.05 -0.07 -0.25 0.00 -2.87 0.00 0.00 58.31 55.18 1wim n LYS 60 Cb 0.14 -1.40 0.02 0.00 -1.84 0.00 0.00 35.03 31.95 1wim n LYS 60 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1wim n GLN 61 N -2.37 -4.56 -2.19 1.97 6.02 -1.02 -4.97 117.38 110.26 1wim n GLN 61 Ca -0.16 0.55 -0.27 0.00 -0.01 0.00 0.00 57.00 57.12 1wim n GLN 61 Cb 0.77 -5.07 0.11 0.00 1.02 0.00 0.00 30.24 27.06 1wim n GLN 61 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1wim s GLY 62 N -4.13 1.72 0.38 1.08 0.00 -1.26 -4.88 107.32 100.23 1wim s GLY 62 Ca 0.16 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.78 1wim s GLY 62 CO 0.84 -0.60 0.16 0.30 0.00 0.00 0.00 173.10 173.80 1wim s HIS 63 N -3.40 1.76 -0.09 1.90 3.76 -1.26 -1.25 115.29 116.70 1wim s HIS 63 Ca 0.65 -1.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.10 1wim s HIS 63 Cb -0.08 -1.03 -0.04 0.00 1.11 0.00 0.00 32.58 32.53 1wim s HIS 63 CO 0.47 -0.44 0.20 -0.51 -0.85 0.00 0.00 174.74 173.61 1wim s LEU 64 N -3.53 4.41 0.85 0.89 2.01 0.57 -4.70 118.68 119.17 1wim s LEU 64 Ca 0.28 0.58 -0.11 0.00 0.01 0.00 0.00 54.13 54.90 1wim s LEU 64 Cb 0.03 -2.19 0.15 0.00 0.01 0.00 0.00 46.19 44.19 1wim s LEU 64 CO 0.17 0.39 1.19 -1.10 1.01 0.00 0.00 176.35 178.01 1wim s GLN 65 N -1.04 1.28 0.00 1.70 -0.21 -1.26 -4.68 119.66 115.46 1wim s GLN 65 Ca 0.17 -0.46 -0.17 0.00 0.02 0.00 0.00 55.36 54.92 1wim s GLN 65 Cb -0.13 -2.01 -0.09 0.00 1.00 0.00 0.00 33.01 31.78 1wim s GLN 65 CO 0.06 -1.92 0.90 0.93 -2.12 0.00 0.00 175.29 173.15 1wim h GLU 66 N -1.17 -0.57 -0.98 2.91 5.08 -1.99 -2.62 114.58 115.24 1wim h GLU 66 Ca -0.43 0.04 0.30 0.00 -1.00 0.00 0.00 59.36 58.27 1wim h GLU 66 Cb 1.27 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 30.50 1wim h GLU 66 CO 0.46 -0.38 0.52 -0.97 -1.00 0.00 0.00 179.01 177.63 1wim h ASN 67 N -0.83 0.44 -0.67 1.42 -1.24 -1.99 0.55 115.58 113.27 1wim h ASN 67 Ca -0.06 0.19 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1wim h ASN 67 Cb 0.46 0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.63 1wim h ASN 67 CO 0.10 -0.12 0.39 -0.33 -1.29 0.00 0.00 177.43 176.18 1wim h GLU 68 N 0.32 0.91 0.14 6.67 4.39 -1.95 -3.07 114.58 122.00 1wim h GLU 68 Ca 0.70 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 60.30 1wim h GLU 68 Cb 1.55 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1wim h GLU 68 CO -0.61 0.66 -0.07 0.82 -1.16 0.00 0.00 179.01 178.66 1wim h ILE 69 N 0.91 0.99 -0.50 3.13 2.04 0.35 -2.49 117.51 121.94 1wim h ILE 69 Ca 0.24 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 65.02 1wim h ILE 69 Cb -0.01 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 1wim h ILE 69 CO -0.04 0.24 -0.30 1.21 0.00 0.00 0.00 178.15 179.26 1wim n GLU 70 N -4.92 -0.22 -0.23 2.37 2.13 0.46 0.73 120.64 120.97 1wim n GLU 70 Ca -0.08 0.96 -0.07 0.00 0.66 0.00 0.00 57.16 58.63 1wim n GLU 70 Cb 0.27 -1.42 0.03 0.00 0.27 0.00 0.00 31.44 30.59 1wim n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wim h MET 72 N 0.91 -0.07 -6.03 0.00 -1.53 0.80 -3.42 114.93 105.59 1wim h MET 72 Ca 0.21 0.00 -0.57 0.00 -3.44 0.00 0.00 59.70 55.90 1wim h MET 72 Cb 0.28 0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.30 1wim h MET 72 CO -0.01 -0.05 -0.28 0.14 0.14 0.00 0.00 176.91 176.86 1wim s VAL 73 N -6.11 1.74 0.64 -5.77 -7.23 -0.17 -4.90 120.40 98.60 1wim s VAL 73 Ca -0.14 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1wim s VAL 73 Cb 0.19 -2.16 0.13 0.00 0.56 0.00 0.00 36.38 35.10 1wim s VAL 73 CO 0.72 0.00 0.88 0.00 -0.31 0.00 0.00 175.10 176.39 1wim n ALA 74 N -1.83 0.25 -0.14 1.32 0.00 -1.26 -4.80 120.51 114.06 1wim n ALA 74 Ca 0.01 -1.76 -0.09 0.00 0.00 0.00 0.00 53.44 51.59 1wim n ALA 74 Cb 0.64 0.31 -0.01 0.00 0.00 0.00 0.00 19.45 20.39 1wim n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wim h ALA 75 N -0.53 0.53 -0.69 0.00 0.00 -1.98 0.19 119.26 116.77 1wim h ALA 75 Ca -0.29 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.56 1wim h ALA 75 Cb 1.10 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1wim h ALA 75 CO 0.32 0.19 0.26 1.05 0.00 0.00 0.00 179.25 181.07 1wim h GLU 76 N 0.51 0.41 0.11 0.00 4.11 -2.01 -2.00 114.58 115.70 1wim h GLU 76 Ca 0.13 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 1wim h GLU 76 Cb 0.28 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1wim h GLU 76 CO -0.00 0.27 -0.05 0.82 0.07 0.00 0.00 179.01 180.12 1wim h ILE 77 N 0.42 0.30 -0.71 -1.06 1.08 -1.91 -3.36 117.51 112.26 1wim h ILE 77 Ca 0.37 -1.08 0.09 0.00 -0.39 0.00 0.00 64.86 63.85 1wim h ILE 77 Cb 0.53 0.55 -0.10 0.00 -3.07 0.00 0.00 36.82 34.72 1wim h ILE 77 CO -0.37 0.09 -0.35 0.80 -0.69 0.00 0.00 178.15 177.64 1wim n MET 78 N -4.85 -0.24 -0.28 2.37 1.56 0.65 0.93 117.12 117.25 1wim n MET 78 Ca -0.03 1.09 0.06 0.00 -0.27 0.00 0.00 57.70 58.55 1wim n MET 78 Cb 0.13 -1.61 0.14 0.00 2.15 0.00 0.00 33.22 34.03 1wim n MET 78 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1wim n GLN 79 N -4.98 -0.07 -0.06 2.12 7.27 -0.76 0.79 117.38 121.68 1wim n GLN 79 Ca 0.05 1.23 -0.08 0.00 0.07 0.00 0.00 57.00 58.26 1wim n GLN 79 Cb 0.24 -1.87 -0.02 0.00 2.41 0.00 0.00 30.24 31.00 1wim n GLN 79 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wim h ARG 80 N 0.00 -0.26 -0.06 3.69 3.08 0.38 -1.69 114.38 119.52 1wim h ARG 80 Ca 0.41 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.51 1wim h ARG 80 Cb 0.68 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.73 1wim h ARG 80 CO -0.80 -0.18 -0.43 -0.92 -1.07 0.00 0.00 179.97 176.58 1wim h TYR 81 N -0.27 -1.22 -0.86 3.04 3.20 0.35 -1.22 116.97 119.99 1wim h TYR 81 Ca 0.14 0.04 0.21 0.00 3.14 0.00 0.00 58.73 62.27 1wim h TYR 81 Cb 0.50 0.54 -0.13 0.00 1.54 0.00 0.00 36.73 39.18 1wim h TYR 81 CO -0.44 -0.49 0.29 0.87 -1.64 0.00 0.00 178.16 176.74 1wim h LYS 82 N -0.54 0.29 -0.37 1.82 1.57 -1.04 0.66 116.57 118.96 1wim h LYS 82 Ca 0.06 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1wim h LYS 82 Cb 0.64 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 1wim h LYS 82 CO -0.35 0.19 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.49 1wim h LYS 83 N 0.29 0.09 -0.65 3.15 1.63 -0.32 -1.45 116.57 119.32 1wim h LYS 83 Ca 0.53 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.37 1wim h LYS 83 Cb 1.02 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.58 1wim h LYS 83 CO -0.58 0.06 0.38 -0.07 -3.45 0.00 0.00 179.45 175.79 1wim h LEU 84 N 0.09 0.59 -0.56 5.20 3.38 -0.47 -1.97 115.31 121.58 1wim h LEU 84 Ca 0.18 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1wim h LEU 84 Cb 0.25 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1wim h LEU 84 CO -0.30 0.39 0.31 1.56 0.09 0.00 0.00 178.44 180.49 1wim h GLN 85 N 0.72 0.58 -0.16 1.13 1.08 -0.71 0.24 115.11 117.99 1wim h GLN 85 Ca 0.28 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.45 1wim h GLN 85 Cb 0.11 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1wim h GLN 85 CO -0.14 0.38 0.08 0.35 -0.95 0.00 0.00 178.83 178.55 1wim h PHE 86 N 0.60 0.15 -0.52 2.96 3.57 -0.72 -2.82 116.94 120.16 1wim h PHE 86 Ca 0.24 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 1wim h PHE 86 Cb 0.11 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1wim h PHE 86 CO -0.08 0.09 0.10 0.93 -2.23 0.00 0.00 178.31 177.12 1wim h GLU 87 N 0.18 0.86 -3.54 1.11 4.39 -0.99 -3.33 114.58 113.26 1wim h GLU 87 Ca 0.06 -0.22 -0.78 0.00 0.34 0.00 0.00 59.36 58.76 1wim h GLU 87 Cb 0.01 -0.10 -0.29 0.00 -0.10 0.00 0.00 28.75 28.26 1wim h GLU 87 CO -0.04 0.83 0.34 1.03 -1.16 0.00 0.00 179.01 180.01 1wim s ARG 88 N -5.23 4.01 -0.29 2.33 1.81 0.81 -4.95 118.95 117.44 1wim s ARG 88 Ca -0.13 -3.19 -0.23 0.00 -1.72 0.00 0.00 55.73 50.46 1wim s ARG 88 Cb 0.12 -4.44 0.17 0.00 -0.45 0.00 0.00 34.95 30.35 1wim s ARG 88 CO 0.81 -1.25 1.26 0.45 -0.68 0.00 0.00 175.30 175.89 1wim s SER 89 N 1.10 -0.21 0.36 0.23 0.15 -1.19 -4.67 113.70 109.48 1wim s SER 89 Ca 0.29 0.38 0.04 0.00 0.70 0.00 0.00 55.95 57.36 1wim s SER 89 Cb -0.10 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 1wim s SER 89 CO -0.09 -0.06 0.12 -0.83 1.20 0.00 0.00 173.24 173.57 1wim s GLY 90 N 0.37 2.34 -0.18 9.45 0.00 -1.26 -5.02 107.32 113.02 1wim s GLY 90 Ca 0.02 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 42.90 1wim s GLY 90 CO -0.12 -1.77 1.58 2.56 0.00 0.00 0.00 173.10 175.35 1wim s PRO 91 N -3.79 3.92 -0.76 2.90 0.04 -1.26 -4.94 135.00 131.11 1wim s PRO 91 Ca 0.30 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 1wim s PRO 91 Cb 0.05 -3.99 0.02 0.00 0.04 0.00 0.00 34.50 30.61 1wim s PRO 91 CO 0.15 -1.14 1.47 -1.12 0.04 0.00 0.00 177.00 176.40 1wim s SER 92 N 3.79 5.96 -0.34 6.66 0.01 -1.26 -4.93 113.70 123.59 1wim s SER 92 Ca 0.70 -0.43 -0.37 0.00 1.31 0.00 0.00 55.95 57.16 1wim s SER 92 Cb -0.26 -2.55 -0.13 0.00 0.21 0.00 0.00 66.02 63.29 1wim s SER 92 CO 0.28 -1.96 2.11 -1.20 0.41 0.00 0.00 173.24 172.87 1wim n SER 93 N 10.30 2.11 0.00 2.44 7.64 -1.26 -5.37 113.62 129.49 1wim n SER 93 Ca 0.13 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.56 1wim n SER 93 Cb 0.50 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1wim n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64