#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wim s SER 2 N 0.00 3.42 -0.07 1.61 0.15 -1.26 -5.02 113.70 112.54 1wim s SER 2 Ca 0.00 -0.46 -0.05 0.00 0.70 0.00 0.00 55.95 56.15 1wim s SER 2 Cb 0.00 -1.31 -0.19 0.00 -1.71 0.00 0.00 66.02 62.81 1wim s SER 2 CO 0.00 0.19 3.30 -1.54 1.20 0.00 0.00 173.24 176.39 1wim n SER 3 N 3.31 5.44 0.00 5.45 3.41 -1.26 -4.85 113.62 125.13 1wim n SER 3 Ca -0.18 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1wim n SER 3 Cb 0.53 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1wim n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wim n GLY 4 N 2.13 3.17 3.59 5.00 0.00 -1.26 -4.57 105.19 113.25 1wim n GLY 4 Ca 0.39 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 1wim n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wim s SER 5 N 0.00 -0.81 -0.01 1.61 1.04 -1.26 -3.53 113.70 110.74 1wim s SER 5 Ca 0.00 1.21 0.11 0.00 0.48 0.00 0.00 55.95 57.75 1wim s SER 5 Cb 0.00 1.64 -0.17 0.00 0.10 0.00 0.00 66.02 67.59 1wim s SER 5 CO 0.00 -0.18 0.28 -1.20 0.98 0.00 0.00 173.24 173.12 1wim n SER 6 N 4.60 2.13 -1.65 7.02 7.64 -1.17 -4.90 113.62 127.29 1wim n SER 6 Ca -0.15 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1wim n SER 6 Cb 0.55 1.45 0.00 0.00 -1.01 0.00 0.00 64.21 65.19 1wim n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wim n GLY 7 N 1.77 -4.91 3.93 0.23 0.00 -1.26 -5.00 105.19 99.95 1wim n GLY 7 Ca -0.01 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.57 0.91 0.03 0.00 5.02 -1.26 -3.58 118.16 116.71 1wim n LYS 9 Ca 0.05 0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.39 1wim n LYS 9 Cb 0.59 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 34.21 1wim n LYS 9 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wim h LEU 10 N 0.00 -0.10 0.00 -0.35 3.38 -1.96 -3.36 115.31 112.92 1wim h LEU 10 Ca -0.41 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1wim h LEU 10 Cb 1.75 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 1wim h LEU 10 CO -0.03 0.11 -0.13 0.00 0.09 0.00 0.00 178.44 178.48 1wim n LEU 12 N -3.10 -3.02 -4.49 0.00 4.77 -1.23 -4.98 117.00 104.95 1wim n LEU 12 Ca 0.03 -0.82 -0.32 0.00 -0.03 0.00 0.00 56.01 54.88 1wim n LEU 12 Cb 0.56 -2.64 -0.12 0.00 -2.33 0.00 0.00 43.42 38.89 1wim n LEU 12 CO 0.35 0.42 -0.46 -0.83 -1.33 0.00 0.00 177.39 175.55 1wim s GLY 13 N -4.22 1.59 -0.28 -0.72 0.00 -1.26 -4.80 107.32 97.62 1wim s GLY 13 Ca 0.09 -1.08 -0.29 0.00 0.00 0.00 0.00 44.72 43.44 1wim s GLY 13 CO 0.82 -0.92 1.19 1.85 0.00 0.00 0.00 173.10 176.03 1wim s GLU 14 N -1.16 4.05 0.02 2.90 2.12 -1.26 -3.14 118.70 122.23 1wim s GLU 14 Ca 0.14 1.25 -0.05 0.00 0.36 0.00 0.00 54.97 56.67 1wim s GLU 14 Cb -0.11 -3.79 -0.01 0.00 0.26 0.00 0.00 34.13 30.48 1wim s GLU 14 CO 0.04 -0.94 0.07 0.71 -0.54 0.00 0.00 175.26 174.61 1wim s TYR 15 N 3.87 0.17 0.22 5.30 2.02 -1.26 -5.02 117.35 122.65 1wim s TYR 15 Ca 0.51 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.53 1wim s TYR 15 Cb -0.16 -0.13 -0.09 0.00 -0.40 0.00 0.00 41.96 41.19 1wim s TYR 15 CO 0.18 -0.29 1.29 -1.25 -1.57 0.00 0.00 175.55 173.91 1wim s PRO 16 N -1.85 4.41 0.61 -1.71 0.04 -1.23 -3.02 135.00 132.26 1wim s PRO 16 Ca -0.12 2.05 0.24 0.00 0.04 0.00 0.00 61.00 63.21 1wim s PRO 16 Cb -0.06 -3.18 0.95 0.00 0.04 0.00 0.00 34.50 32.25 1wim s PRO 16 CO -0.01 -0.20 1.41 -0.39 0.04 0.00 0.00 177.00 177.84 1wim h VAL 17 N 3.60 0.07 -0.80 -0.36 -1.51 -1.81 0.62 116.25 116.06 1wim h VAL 17 Ca -0.45 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.04 1wim h VAL 17 Cb 1.22 0.16 -0.05 0.00 -2.13 0.00 0.00 31.29 30.49 1wim h VAL 17 CO 0.75 0.00 0.52 -0.08 -1.23 0.00 0.00 177.57 177.52 1wim h GLU 18 N 0.00 1.00 -1.28 5.19 4.81 -1.89 -2.27 114.58 120.14 1wim h GLU 18 Ca 0.35 -0.06 -0.58 0.00 -0.13 0.00 0.00 59.36 58.94 1wim h GLU 18 Cb 2.35 -0.22 -0.24 0.00 0.63 0.00 0.00 28.75 31.26 1wim h GLU 18 CO -0.00 0.66 0.74 1.04 -0.73 0.00 0.00 179.01 180.72 1wim n GLN 19 N -4.57 2.44 -4.11 1.92 6.02 0.22 -4.92 117.38 114.38 1wim n GLN 19 Ca 0.09 -2.79 -0.08 0.00 -0.01 0.00 0.00 57.00 54.22 1wim n GLN 19 Cb 0.06 -2.09 -0.10 0.00 1.02 0.00 0.00 30.24 29.13 1wim n GLN 19 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1wim s MET 20 N -3.19 0.68 -0.05 -1.09 -1.94 -0.85 -3.77 119.30 109.08 1wim s MET 20 Ca 0.54 -1.27 0.02 0.00 -1.71 0.00 0.00 55.69 53.28 1wim s MET 20 Cb 0.42 0.17 0.01 0.00 2.01 0.00 0.00 34.83 37.45 1wim s MET 20 CO -0.05 -0.13 -0.10 0.99 -0.01 0.00 0.00 175.02 175.72 1wim s THR 21 N -3.91 0.92 -0.14 2.05 2.01 0.17 -4.87 115.64 111.86 1wim s THR 21 Ca 0.10 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 1wim s THR 21 Cb 0.08 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1wim s THR 21 CO -0.08 0.30 0.01 -0.89 -0.69 0.00 0.00 174.62 173.27 1wim s THR 22 N 0.52 4.36 0.23 -0.82 2.01 -1.26 -0.76 115.64 119.92 1wim s THR 22 Ca -0.10 -0.20 -0.24 0.00 0.31 0.00 0.00 61.69 61.46 1wim s THR 22 Cb -0.13 -2.91 -0.09 0.00 0.01 0.00 0.00 72.50 69.39 1wim s THR 22 CO 0.02 0.52 0.82 -0.63 -0.69 0.00 0.00 174.62 174.66 1wim s ILE 23 N -0.01 4.36 -0.37 1.82 1.01 0.13 -4.94 121.20 123.20 1wim s ILE 23 Ca 0.03 1.64 0.03 0.00 0.00 0.00 0.00 60.65 62.35 1wim s ILE 23 Cb -0.13 -4.04 0.51 0.00 0.01 0.00 0.00 42.46 38.81 1wim s ILE 23 CO 0.02 0.32 1.76 0.00 0.00 0.00 0.00 174.94 177.03 1wim n ALA 24 N 1.03 5.04 0.00 9.38 0.00 -1.26 -2.80 120.51 131.91 1wim n ALA 24 Ca -0.02 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1wim n ALA 24 Cb 0.50 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.75 0.00 -1.01 0.00 6.02 -1.26 -4.87 117.38 115.51 1wim n GLN 25 Ca 0.47 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.51 1wim n GLN 25 Cb 1.33 -0.66 0.10 0.00 1.02 0.00 0.00 30.24 32.03 1wim n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wim n GLN 27 N -0.25 -0.90 -4.19 0.00 1.13 -1.12 -4.88 117.38 107.17 1wim n GLN 27 Ca 0.11 0.08 -0.34 0.00 -1.94 0.00 0.00 57.00 54.91 1wim n GLN 27 Cb 0.92 -3.05 -0.12 0.00 0.11 0.00 0.00 30.24 28.10 1wim n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wim s ILE 29 N 0.67 5.17 -0.04 0.00 2.07 -1.26 -0.69 121.20 127.12 1wim s ILE 29 Ca -0.01 -0.22 -0.20 0.00 -1.41 0.00 0.00 60.65 58.81 1wim s ILE 29 Cb -0.14 -3.38 0.04 0.00 0.13 0.00 0.00 42.46 39.11 1wim s ILE 29 CO 0.02 0.36 0.45 -0.36 -1.91 0.00 0.00 174.94 173.50 1wim s PHE 30 N -1.25 -0.37 0.10 3.50 0.08 0.06 -4.78 117.98 115.33 1wim s PHE 30 Ca 0.24 0.65 -0.31 0.00 0.12 0.00 0.00 56.93 57.64 1wim s PHE 30 Cb -0.12 0.21 -0.07 0.00 -0.57 0.00 0.00 43.02 42.46 1wim s PHE 30 CO 0.15 -0.45 1.32 0.00 -0.10 0.00 0.00 175.22 176.15 1wim n THR 32 N 3.86 -0.33 -0.02 0.00 -1.04 -1.25 -0.91 114.28 114.60 1wim n THR 32 Ca 0.10 1.77 -0.01 0.00 -2.04 0.00 0.00 64.05 63.87 1wim n THR 32 Cb 0.44 -2.48 -0.01 0.00 -1.82 0.00 0.00 70.33 66.45 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 -0.17 -0.14 -4.42 3.38 -1.90 0.72 115.31 112.78 1wim h LEU 33 Ca 0.40 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.43 1wim h LEU 33 Cb 0.68 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1wim h LEU 33 CO -0.78 -0.03 -0.47 0.00 0.09 0.00 0.00 178.44 177.25 1wim h LEU 35 N -0.52 0.51 0.08 0.00 3.38 -0.97 0.34 115.31 118.13 1wim h LEU 35 Ca 0.06 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wim h LEU 35 Cb 0.65 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wim h LEU 35 CO -0.42 0.10 -0.04 0.50 0.09 0.00 0.00 178.44 178.68 1wim h LYS 36 N 0.45 -0.11 -0.89 1.13 3.64 0.26 -1.93 116.57 119.12 1wim h LYS 36 Ca 0.60 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 60.16 1wim h LYS 36 Cb 1.41 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 33.15 1wim h LYS 36 CO -0.33 -0.07 0.45 1.96 -2.27 0.00 0.00 179.45 179.19 1wim h GLN 37 N -0.14 0.56 0.00 1.90 7.50 -0.86 0.16 115.11 124.22 1wim h GLN 37 Ca -0.01 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1wim h GLN 37 Cb 0.09 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.49 1wim h GLN 37 CO 0.02 0.37 0.00 0.98 -1.50 0.00 0.00 178.83 178.70 1wim n TYR 38 N -4.91 0.00 -0.34 2.96 9.36 0.11 -1.44 117.16 122.91 1wim n TYR 38 Ca 0.20 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.55 1wim n TYR 38 Cb 0.53 -0.37 0.32 0.00 -0.63 0.00 0.00 39.34 39.19 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 0.65 0.08 2.97 -1.51 -1.17 -1.94 116.25 115.33 1wim h VAL 39 Ca 0.00 -0.23 0.02 0.00 -1.23 0.00 0.00 66.70 65.26 1wim h VAL 39 Cb 0.00 -0.09 -0.05 0.00 -2.13 0.00 0.00 31.29 29.02 1wim h VAL 39 CO 0.00 0.12 -0.49 -0.33 -1.23 0.00 0.00 177.57 175.64 1wim h GLU 40 N 0.68 -0.67 -0.57 5.19 5.08 -0.53 -0.16 114.58 123.60 1wim h GLU 40 Ca 0.58 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 59.09 1wim h GLU 40 Cb 0.96 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.28 1wim h GLU 40 CO -0.41 -0.45 0.11 -0.07 -1.00 0.00 0.00 179.01 177.19 1wim h LEU 41 N -0.69 -0.03 0.05 1.33 -0.00 -0.47 -1.07 115.31 114.43 1wim h LEU 41 Ca 0.01 0.11 0.03 0.00 -0.00 0.00 0.00 57.88 58.03 1wim h LEU 41 Cb 0.72 0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 41.50 1wim h LEU 41 CO -0.30 0.00 -0.28 -0.07 -0.00 0.00 0.00 178.44 177.79 1wim h LEU 42 N 0.24 -0.83 -0.44 1.67 4.07 -1.00 -1.00 115.31 118.02 1wim h LEU 42 Ca 0.30 0.11 0.08 0.00 0.08 0.00 0.00 57.88 58.44 1wim h LEU 42 Cb 0.43 0.33 -0.06 0.00 1.08 0.00 0.00 40.66 42.44 1wim h LEU 42 CO -0.39 -0.36 0.06 0.40 -1.08 0.00 0.00 178.44 177.06 1wim h ILE 43 N -0.46 0.73 -0.54 1.22 2.04 -0.41 -1.89 117.51 118.20 1wim h ILE 43 Ca 0.05 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1wim h ILE 43 Cb 0.52 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1wim h ILE 43 CO -0.21 0.03 0.18 0.11 0.00 0.00 0.00 178.15 178.26 1wim h LYS 44 N 0.18 0.34 -0.52 2.37 1.79 -0.74 -2.64 116.57 117.36 1wim h LYS 44 Ca 0.22 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.74 1wim h LYS 44 Cb 0.29 -0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.77 1wim h LYS 44 CO -0.31 0.23 -0.49 1.49 -1.08 0.00 0.00 179.45 179.28 1wim h GLU 45 N 0.35 -0.28 0.00 3.15 4.81 -0.35 -3.45 114.58 118.81 1wim h GLU 45 Ca 0.27 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1wim h GLU 45 Cb 0.31 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1wim h GLU 45 CO -0.28 -0.19 0.00 0.41 -0.73 0.00 0.00 179.01 178.22 1wim n GLY 46 N -1.39 2.66 0.50 1.92 0.00 -1.00 -4.85 105.19 103.03 1wim n GLY 46 Ca -0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.16 -7.74 0.99 5.85 -1.88 -3.32 115.31 108.04 1wim h LEU 47 Ca 0.00 0.06 -0.77 0.00 0.84 0.00 0.00 57.88 58.02 1wim h LEU 47 Cb 0.00 0.33 -0.23 0.00 0.37 0.00 0.00 40.66 41.13 1wim h LEU 47 CO 0.00 -0.73 0.62 -1.83 -0.34 0.00 0.00 178.44 176.16 1wim s GLU 48 N -5.97 3.92 0.32 1.25 -1.05 -1.26 -4.85 118.70 111.06 1wim s GLU 48 Ca -0.19 -2.64 0.02 0.00 -0.15 0.00 0.00 54.97 52.01 1wim s GLU 48 Cb 0.03 -4.69 0.54 0.00 -0.44 0.00 0.00 34.13 29.57 1wim s GLU 48 CO 0.61 -1.46 1.91 0.00 0.95 0.00 0.00 175.26 177.27 1wim h THR 49 N 4.54 1.19 -3.01 1.83 1.03 -1.87 -3.42 112.91 113.20 1wim h THR 49 Ca 0.19 -0.61 -0.55 0.00 -0.01 0.00 0.00 66.41 65.43 1wim h THR 49 Cb 0.94 0.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 1wim h THR 49 CO 1.01 0.24 0.75 0.00 -0.01 0.00 0.00 175.52 177.51 1wim s ALA 50 N -5.33 3.53 -0.35 0.00 0.00 -1.26 -4.88 121.76 113.46 1wim s ALA 50 Ca -0.09 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.50 1wim s ALA 50 Cb 0.16 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1wim s ALA 50 CO 0.78 -0.79 0.34 0.42 0.00 0.00 0.00 175.76 176.51 1wim s ILE 51 N 2.15 5.19 0.60 0.00 1.01 -1.26 -5.07 121.20 123.81 1wim s ILE 51 Ca 0.60 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.22 1wim s ILE 51 Cb -0.29 -3.82 0.07 0.00 0.01 0.00 0.00 42.46 38.44 1wim s ILE 51 CO 0.25 -0.11 0.83 -0.55 0.00 0.00 0.00 174.94 175.36 1wim s SER 52 N 1.73 4.96 0.29 3.58 0.15 -1.26 -1.69 113.70 121.47 1wim s SER 52 Ca 0.10 -0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 1wim s SER 52 Cb -0.17 -0.32 -0.11 0.00 -1.71 0.00 0.00 66.02 63.71 1wim s SER 52 CO 0.12 -1.39 1.61 0.00 1.20 0.00 0.00 173.24 174.78 1wim n PRO 54 N 2.25 0.49 -3.66 0.00 -0.04 -1.26 -4.53 135.00 128.26 1wim n PRO 54 Ca 0.09 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.15 1wim n PRO 54 Cb 0.37 -1.46 -0.12 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.97 5.57 0.37 3.54 2.15 -1.26 -4.95 116.67 120.12 1wim s ASP 55 Ca 0.22 -1.03 0.12 0.00 0.43 0.00 0.00 52.55 52.30 1wim s ASP 55 Cb 0.10 -1.97 0.71 0.00 -0.30 0.00 0.00 42.92 41.47 1wim s ASP 55 CO 0.17 -0.36 1.83 0.00 -0.17 0.00 0.00 175.17 176.64 1wim h ALA 56 N 8.35 1.38 -0.34 3.66 0.00 -2.02 -2.73 119.26 127.57 1wim h ALA 56 Ca -0.25 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.14 1wim h ALA 56 Cb 1.10 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1wim h ALA 56 CO 0.64 0.46 0.24 0.00 0.00 0.00 0.00 179.25 180.59 1wim n ALA 57 N -2.47 3.81 -2.61 0.00 0.00 -1.26 -4.83 120.51 113.14 1wim n ALA 57 Ca -0.02 -1.02 -0.40 0.00 0.00 0.00 0.00 53.44 52.00 1wim n ALA 57 Cb 0.40 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 5.08 0.43 0.00 0.00 -0.04 -1.26 -2.43 135.00 136.77 1wim n PRO 59 Ca -0.13 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1wim n PRO 59 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1wim n PRO 59 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wim n LYS 60 N -1.06 1.31 -3.48 0.54 3.00 -1.26 -5.01 118.16 112.19 1wim n LYS 60 Ca 0.11 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.20 1wim n LYS 60 Cb 0.07 -0.89 -0.05 0.00 0.00 0.00 0.00 35.03 34.16 1wim n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wim n GLN 61 N -1.25 -0.90 -1.87 1.64 10.64 -1.02 -4.74 117.38 119.88 1wim n GLN 61 Ca 0.00 0.07 -0.42 0.00 -1.83 0.00 0.00 57.00 54.82 1wim n GLN 61 Cb 0.00 -2.48 -0.03 0.00 -0.86 0.00 0.00 30.24 26.87 1wim n GLN 61 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1wim s GLY 62 N -3.15 1.49 1.02 2.61 0.00 -1.26 -4.11 107.32 103.92 1wim s GLY 62 Ca 0.24 1.29 -0.12 0.00 0.00 0.00 0.00 44.72 46.12 1wim s GLY 62 CO 0.61 2.94 1.08 0.30 0.00 0.00 0.00 173.10 178.04 1wim s HIS 63 N 2.53 2.00 0.14 1.90 0.09 -1.26 -2.90 115.29 117.79 1wim s HIS 63 Ca 0.76 1.01 -0.10 0.00 -0.00 0.00 0.00 55.06 56.73 1wim s HIS 63 Cb -0.42 -3.24 -0.06 0.00 -0.00 0.00 0.00 32.58 28.85 1wim s HIS 63 CO 0.33 -3.03 0.47 -0.51 -0.00 0.00 0.00 174.74 172.00 1wim s LEU 64 N -6.56 4.29 0.48 0.89 2.01 -0.68 -4.68 118.68 114.43 1wim s LEU 64 Ca 0.66 0.86 -0.13 0.00 0.01 0.00 0.00 54.13 55.52 1wim s LEU 64 Cb -0.19 -3.26 -0.07 0.00 0.01 0.00 0.00 46.19 42.67 1wim s LEU 64 CO 0.58 0.08 0.90 -1.10 1.01 0.00 0.00 176.35 177.82 1wim s GLN 65 N -2.24 3.85 0.24 1.70 1.11 -1.26 -4.86 119.66 118.20 1wim s GLN 65 Ca 0.39 0.73 -0.06 0.00 0.01 0.00 0.00 55.36 56.42 1wim s GLN 65 Cb -0.13 -2.24 0.27 0.00 -1.01 0.00 0.00 33.01 29.90 1wim s GLN 65 CO 0.20 -0.20 1.90 1.49 0.01 0.00 0.00 175.29 178.70 1wim h GLU 66 N 0.95 1.17 -0.76 2.91 4.81 -2.00 -2.20 114.58 119.47 1wim h GLU 66 Ca -0.47 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 58.76 1wim h GLU 66 Cb 1.19 -0.26 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1wim h GLU 66 CO 0.62 0.78 0.44 -2.95 -0.73 0.00 0.00 179.01 177.17 1wim h ASN 67 N 1.21 0.67 0.93 1.04 -1.07 -2.00 -1.02 115.58 115.33 1wim h ASN 67 Ca 0.36 0.03 -0.05 0.00 0.07 0.00 0.00 56.30 56.72 1wim h ASN 67 Cb -0.05 -0.10 0.01 0.00 -2.07 0.00 0.00 38.32 36.10 1wim h ASN 67 CO -0.10 0.42 -0.45 -0.33 0.07 0.00 0.00 177.43 177.04 1wim h GLU 68 N 0.80 -1.20 -0.97 4.14 4.39 -1.80 -2.95 114.58 116.99 1wim h GLU 68 Ca 0.35 0.08 0.20 0.00 0.34 0.00 0.00 59.36 60.33 1wim h GLU 68 Cb 0.23 0.27 -0.11 0.00 -0.10 0.00 0.00 28.75 29.04 1wim h GLU 68 CO -0.20 -0.80 0.55 0.82 -1.16 0.00 0.00 179.01 178.23 1wim h ILE 69 N -1.30 0.64 -0.85 3.13 2.04 -1.30 -0.50 117.51 119.37 1wim h ILE 69 Ca -0.13 -0.22 0.21 0.00 1.00 0.00 0.00 64.86 65.72 1wim h ILE 69 Cb 0.96 -0.07 -0.15 0.00 -0.74 0.00 0.00 36.82 36.82 1wim h ILE 69 CO 0.21 0.12 0.06 -0.08 0.00 0.00 0.00 178.15 178.46 1wim h GLU 70 N 0.65 0.10 0.00 2.37 4.81 -1.00 0.02 114.58 121.54 1wim h GLU 70 Ca 0.58 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.77 1wim h GLU 70 Cb 0.97 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1wim h GLU 70 CO -0.42 0.07 -0.14 0.00 -0.73 0.00 0.00 179.01 177.78 1wim h MET 72 N -0.67 -0.17 -6.46 0.00 2.86 -0.53 -3.40 114.93 106.55 1wim h MET 72 Ca -0.02 0.01 -0.65 0.00 -2.06 0.00 0.00 59.70 56.98 1wim h MET 72 Cb 0.95 0.04 -0.14 0.00 0.06 0.00 0.00 31.60 32.51 1wim h MET 72 CO 0.03 -0.12 -0.70 0.14 1.06 0.00 0.00 176.91 177.32 1wim s VAL 73 N -5.81 3.59 0.99 -2.22 -7.23 -0.12 -4.81 120.40 104.78 1wim s VAL 73 Ca -0.14 -1.25 -0.14 0.00 -1.81 0.00 0.00 61.98 58.64 1wim s VAL 73 Cb 0.14 -2.71 0.18 0.00 0.56 0.00 0.00 36.38 34.55 1wim s VAL 73 CO 0.66 0.06 1.14 0.00 -0.31 0.00 0.00 175.10 176.66 1wim s ALA 74 N -1.36 1.45 0.13 1.32 0.00 -1.26 -4.54 121.76 117.50 1wim s ALA 74 Ca 0.24 -0.65 -0.27 0.00 0.00 0.00 0.00 51.96 51.28 1wim s ALA 74 Cb -0.11 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1wim s ALA 74 CO 0.16 -2.65 1.61 0.00 0.00 0.00 0.00 175.76 174.87 1wim h ALA 75 N -1.79 -0.43 -1.00 0.00 0.00 -1.98 0.35 119.26 114.41 1wim h ALA 75 Ca -0.50 0.01 0.41 0.00 0.00 0.00 0.00 54.91 54.83 1wim h ALA 75 Cb 1.31 0.62 -0.18 0.00 0.00 0.00 0.00 17.79 19.54 1wim h ALA 75 CO 0.53 -0.82 0.50 1.05 0.00 0.00 0.00 179.25 180.51 1wim h GLU 76 N -0.43 0.00 0.00 0.00 4.11 -2.01 -0.47 114.58 115.78 1wim h GLU 76 Ca 0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1wim h GLU 76 Cb 0.56 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wim h GLU 76 CO -0.33 0.00 -0.21 0.82 0.07 0.00 0.00 179.01 179.36 1wim h ILE 77 N 0.00 0.00 -0.66 -1.06 1.08 -1.54 -3.38 117.51 111.96 1wim h ILE 77 Ca 0.83 -0.86 0.15 0.00 -0.39 0.00 0.00 64.86 64.59 1wim h ILE 77 Cb 2.17 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.80 1wim h ILE 77 CO -0.78 0.00 -0.09 0.80 -0.69 0.00 0.00 178.15 177.39 1wim n MET 78 N -4.34 -0.06 -0.22 2.37 1.56 0.11 0.19 117.12 116.73 1wim n MET 78 Ca -0.03 1.01 0.02 0.00 -0.27 0.00 0.00 57.70 58.42 1wim n MET 78 Cb 0.11 -1.54 0.10 0.00 2.15 0.00 0.00 33.22 34.04 1wim n MET 78 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 1wim h GLN 79 N 0.00 0.06 -0.39 2.12 5.75 -1.28 0.72 115.11 122.08 1wim h GLN 79 Ca 0.35 -0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.96 1wim h GLN 79 Cb 0.62 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1wim h GLN 79 CO -0.65 0.04 0.42 0.00 -2.65 0.00 0.00 178.83 175.99 1wim h ARG 80 N 0.07 0.00 0.15 1.69 3.08 0.19 -0.19 114.38 119.36 1wim h ARG 80 Ca 0.34 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.03 1wim h ARG 80 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1wim h ARG 80 CO -0.62 0.00 -1.92 -0.92 -1.07 0.00 0.00 179.97 175.45 1wim h TYR 81 N 0.00 0.56 0.15 3.04 3.20 0.39 -3.25 116.97 121.06 1wim h TYR 81 Ca 0.19 -0.41 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 1wim h TYR 81 Cb 1.03 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1wim h TYR 81 CO 0.00 1.76 -0.07 0.87 -1.64 0.00 0.00 178.16 179.07 1wim h LYS 82 N 0.08 -0.19 -0.83 1.82 1.57 0.67 -2.78 116.57 116.91 1wim h LYS 82 Ca -0.40 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1wim h LYS 82 Cb 2.05 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 34.35 1wim h LYS 82 CO 0.12 -0.12 0.53 1.57 -0.57 0.00 0.00 179.45 180.97 1wim h LYS 83 N -0.20 0.99 -0.64 3.15 2.10 -1.33 -2.59 116.57 118.05 1wim h LYS 83 Ca -0.02 -0.06 0.13 0.00 -2.00 0.00 0.00 60.65 58.70 1wim h LYS 83 Cb 0.16 -0.22 -0.12 0.00 -0.90 0.00 0.00 32.23 31.14 1wim h LYS 83 CO 0.03 0.65 -0.18 -0.07 -2.00 0.00 0.00 179.45 177.88 1wim h LEU 84 N 1.02 -0.67 0.21 7.07 3.38 -1.53 -1.35 115.31 123.43 1wim h LEU 84 Ca 0.34 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.52 1wim h LEU 84 Cb 0.04 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1wim h LEU 84 CO -0.13 -0.23 -0.30 1.56 0.09 0.00 0.00 178.44 179.44 1wim h GLN 85 N -0.02 -0.55 -0.81 1.13 1.08 -1.34 -2.28 115.11 112.32 1wim h GLN 85 Ca 0.30 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.68 1wim h GLN 85 Cb 0.49 0.12 -0.14 0.00 -0.05 0.00 0.00 27.48 27.90 1wim h GLN 85 CO -0.67 -0.36 -0.31 0.35 -0.95 0.00 0.00 178.83 176.89 1wim h PHE 86 N -0.57 -0.81 -0.62 2.96 3.04 -1.19 0.31 116.94 120.06 1wim h PHE 86 Ca 0.01 0.08 0.07 0.00 3.98 0.00 0.00 57.97 62.12 1wim h PHE 86 Cb 0.56 0.48 -0.06 0.00 2.56 0.00 0.00 35.95 39.48 1wim h PHE 86 CO -0.22 -0.38 0.30 0.93 -2.02 0.00 0.00 178.31 176.91 1wim h GLU 87 N -0.06 0.53 -3.14 1.11 4.39 -1.07 -3.30 114.58 113.05 1wim h GLU 87 Ca 0.33 -0.03 -0.62 0.00 0.34 0.00 0.00 59.36 59.37 1wim h GLU 87 Cb 0.59 -0.12 -0.41 0.00 -0.10 0.00 0.00 28.75 28.71 1wim h GLU 87 CO -0.84 0.35 -0.62 1.03 -1.16 0.00 0.00 179.01 177.77 1wim s ARG 88 N -6.09 2.14 0.09 2.33 0.52 0.10 -5.08 118.95 112.97 1wim s ARG 88 Ca -0.13 -2.96 0.06 0.00 -0.52 0.00 0.00 55.73 52.18 1wim s ARG 88 Cb 0.16 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 1wim s ARG 88 CO 0.75 -1.23 -0.16 -1.54 0.02 0.00 0.00 175.30 173.15 1wim s SER 89 N -0.88 1.96 0.00 0.23 1.04 -0.64 -4.65 113.70 110.76 1wim s SER 89 Ca 0.22 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1wim s SER 89 Cb -0.12 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1wim s SER 89 CO -0.10 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1wim n GLY 90 N 1.03 -1.57 3.60 7.32 0.00 -1.26 -5.08 105.19 109.22 1wim n GLY 90 Ca -0.19 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1wim n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wim s PRO 91 N -1.50 3.42 -0.12 1.61 0.04 -1.26 -4.99 135.00 132.20 1wim s PRO 91 Ca 0.00 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 1wim s PRO 91 Cb 0.00 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1wim s PRO 91 CO 0.00 -1.75 0.47 -1.12 0.04 0.00 0.00 177.00 174.65 1wim s SER 92 N 5.45 6.67 -0.17 6.66 0.01 -1.26 -5.06 113.70 126.00 1wim s SER 92 Ca 0.75 0.80 -0.11 0.00 1.31 0.00 0.00 55.95 58.70 1wim s SER 92 Cb -0.21 -2.28 0.06 0.00 0.21 0.00 0.00 66.02 63.80 1wim s SER 92 CO 0.33 -0.01 0.42 -0.55 0.41 0.00 0.00 173.24 173.85 1wim s SER 93 N 0.65 -0.51 0.00 2.44 0.15 -1.26 -5.34 113.70 109.83 1wim s SER 93 Ca 0.26 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1wim s SER 93 Cb -0.15 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1wim s SER 93 CO 0.10 -0.18 0.24 0.61 1.20 0.00 0.00 173.24 175.21