#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 -0.95 0.02 1.61 7.64 -1.26 -4.90 113.62 115.78 1wim n SER 2 Ca 0.00 1.06 -0.08 0.00 1.01 0.00 0.00 58.87 60.85 1wim n SER 2 Cb 0.00 -0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 62.26 1wim n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wim h SER 3 N 1.28 -0.13 0.00 6.43 0.87 -2.00 -3.48 113.55 116.52 1wim h SER 3 Ca -0.30 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 1wim h SER 3 Cb 1.34 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1wim h SER 3 CO 0.54 0.49 0.00 0.61 -0.53 0.00 0.00 176.83 177.94 1wim n GLY 4 N 1.07 0.43 3.59 5.77 0.00 -1.26 -5.07 105.19 109.73 1wim n GLY 4 Ca -0.06 0.67 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 1wim n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wim s SER 5 N 0.00 6.04 0.53 1.61 0.01 -1.26 -3.62 113.70 117.01 1wim s SER 5 Ca 0.00 0.95 0.30 0.00 1.31 0.00 0.00 55.95 58.51 1wim s SER 5 Cb 0.00 -2.53 1.49 0.00 0.21 0.00 0.00 66.02 65.18 1wim s SER 5 CO 0.00 -1.65 2.06 0.28 0.41 0.00 0.00 173.24 174.34 1wim h SER 6 N 12.03 0.00 -4.21 2.44 0.02 -1.80 -3.46 113.55 118.56 1wim h SER 6 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1wim h SER 6 Cb 1.14 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 1wim h SER 6 CO 1.08 0.10 -0.85 0.61 -1.14 0.00 0.00 176.83 176.64 1wim n GLY 7 N -0.52 -4.68 3.63 -3.77 0.00 -1.26 -4.99 105.19 93.60 1wim n GLY 7 Ca -0.01 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.33 0.45 0.06 0.00 5.02 -1.26 -3.63 118.16 114.47 1wim n LYS 9 Ca 0.05 0.11 -0.03 0.00 -2.02 0.00 0.00 58.31 56.43 1wim n LYS 9 Cb 0.56 -1.34 -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 -0.08 -0.14 -0.01 -0.35 3.38 -1.95 -3.35 115.31 112.81 1wim h LEU 10 Ca -0.41 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 1wim h LEU 10 Cb 1.60 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1wim h LEU 10 CO -0.09 -0.04 -0.44 0.00 0.09 0.00 0.00 178.44 177.97 1wim n LEU 12 N -3.21 -4.02 -4.52 0.00 4.77 -1.24 -5.01 117.00 103.77 1wim n LEU 12 Ca 0.02 -0.63 -0.32 0.00 -0.03 0.00 0.00 56.01 55.05 1wim n LEU 12 Cb 0.71 -3.11 -0.12 0.00 -2.33 0.00 0.00 43.42 38.57 1wim n LEU 12 CO 0.40 0.38 -0.43 -0.83 -1.33 0.00 0.00 177.39 175.58 1wim s GLY 13 N -4.35 1.62 -0.33 -0.72 0.00 -1.26 -4.77 107.32 97.51 1wim s GLY 13 Ca 0.01 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.43 1wim s GLY 13 CO 0.73 -0.83 1.38 -0.54 0.00 0.00 0.00 173.10 173.84 1wim s GLU 14 N -1.03 3.77 0.03 2.90 2.02 -1.26 -2.79 118.70 122.34 1wim s GLU 14 Ca 0.14 1.17 -0.02 0.00 0.02 0.00 0.00 54.97 56.28 1wim s GLU 14 Cb -0.11 -3.95 -0.02 0.00 0.10 0.00 0.00 34.13 30.15 1wim s GLU 14 CO 0.03 -1.31 0.01 0.71 0.02 0.00 0.00 175.26 174.72 1wim s TYR 15 N 4.86 0.28 0.56 1.61 2.02 -1.26 -5.00 117.35 120.42 1wim s TYR 15 Ca 0.60 -0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 56.52 1wim s TYR 15 Cb -0.16 -0.21 -0.05 0.00 -0.40 0.00 0.00 41.96 41.14 1wim s TYR 15 CO 0.27 -0.26 1.13 -1.25 -1.57 0.00 0.00 175.55 173.87 1wim s PRO 16 N -2.09 3.27 0.65 -1.71 0.04 -1.26 -2.39 135.00 131.50 1wim s PRO 16 Ca -0.10 1.58 0.36 0.00 0.04 0.00 0.00 61.00 62.87 1wim s PRO 16 Cb -0.05 -2.00 1.96 0.00 0.04 0.00 0.00 34.50 34.45 1wim s PRO 16 CO -0.03 -0.91 2.13 -0.39 0.04 0.00 0.00 177.00 177.84 1wim h VAL 17 N 1.01 0.09 -0.68 -0.36 -1.51 -1.96 -0.77 116.25 112.08 1wim h VAL 17 Ca -0.49 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 64.91 1wim h VAL 17 Cb 1.26 0.83 -0.03 0.00 -2.13 0.00 0.00 31.29 31.22 1wim h VAL 17 CO 0.56 0.00 0.15 -0.33 -1.23 0.00 0.00 177.57 176.73 1wim h GLU 18 N 0.00 1.09 -1.19 5.19 5.08 -1.93 -2.83 114.58 120.00 1wim h GLU 18 Ca 0.02 -0.27 -0.56 0.00 -1.00 0.00 0.00 59.36 57.55 1wim h GLU 18 Cb 0.38 -0.14 -0.24 0.00 0.50 0.00 0.00 28.75 29.25 1wim h GLU 18 CO -0.00 0.98 0.72 1.04 -1.00 0.00 0.00 179.01 180.75 1wim n GLN 19 N -4.26 2.39 -4.11 2.33 6.02 -0.30 -4.91 117.38 114.54 1wim n GLN 19 Ca 0.05 -2.71 -0.09 0.00 -0.01 0.00 0.00 57.00 54.24 1wim n GLN 19 Cb 0.26 -2.06 -0.10 0.00 1.02 0.00 0.00 30.24 29.36 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 -3.15 0.67 -0.06 -1.09 -1.94 -1.07 -3.66 119.30 109.01 1wim s MET 20 Ca 0.53 -1.21 0.01 0.00 -1.71 0.00 0.00 55.69 53.32 1wim s MET 20 Cb 0.42 0.03 0.02 0.00 2.01 0.00 0.00 34.83 37.31 1wim s MET 20 CO -0.01 -0.07 -0.05 0.99 -0.01 0.00 0.00 175.02 175.87 1wim s THR 21 N -3.56 0.65 -0.10 2.05 2.01 0.72 -4.85 115.64 112.54 1wim s THR 21 Ca 0.07 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 1wim s THR 21 Cb 0.05 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1wim s THR 21 CO -0.07 0.26 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.22 1wim s THR 22 N 1.05 4.19 0.30 -0.82 2.01 -1.26 -0.68 115.64 120.43 1wim s THR 22 Ca -0.09 -0.28 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 1wim s THR 22 Cb -0.14 -2.78 -0.09 0.00 0.01 0.00 0.00 72.50 69.50 1wim s THR 22 CO -0.00 0.58 0.74 -0.63 -0.69 0.00 0.00 174.62 174.61 1wim s ILE 23 N -0.58 4.65 -2.14 1.82 1.01 -0.49 -4.91 121.20 120.56 1wim s ILE 23 Ca 0.09 1.03 0.19 0.00 0.00 0.00 0.00 60.65 61.97 1wim s ILE 23 Cb -0.12 -3.66 0.49 0.00 0.01 0.00 0.00 42.46 39.17 1wim s ILE 23 CO 0.02 -0.10 1.44 0.00 0.00 0.00 0.00 174.94 176.29 1wim n ALA 24 N -0.14 2.42 -0.06 9.38 0.00 -1.26 -2.52 120.51 128.34 1wim n ALA 24 Ca 0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 53.44 52.46 1wim n ALA 24 Cb 0.53 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 1.14 0.34 0.00 0.00 1.13 -1.26 -4.72 117.38 114.01 1wim n GLN 25 Ca 0.19 0.17 0.08 0.00 -1.94 0.00 0.00 57.00 55.50 1wim n GLN 25 Cb 0.49 -1.14 -0.01 0.00 0.11 0.00 0.00 30.24 29.69 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 -0.24 -4.65 -4.46 0.00 1.13 -1.05 -5.00 117.38 103.10 1wim n GLN 27 Ca 0.07 0.59 -0.34 0.00 -1.94 0.00 0.00 57.00 55.38 1wim n GLN 27 Cb 0.35 -4.86 -0.13 0.00 0.11 0.00 0.00 30.24 25.71 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 0.40 5.26 -0.08 0.00 2.07 -1.26 -1.40 121.20 126.20 1wim s ILE 29 Ca -0.05 0.42 -0.18 0.00 -1.41 0.00 0.00 60.65 59.42 1wim s ILE 29 Cb -0.15 -3.57 0.04 0.00 0.13 0.00 0.00 42.46 38.92 1wim s ILE 29 CO 0.03 0.51 0.44 -0.36 -1.91 0.00 0.00 174.94 173.65 1wim s PHE 30 N -1.15 -0.40 0.01 3.50 0.08 0.14 -4.73 117.98 115.43 1wim s PHE 30 Ca 0.23 0.80 -0.30 0.00 0.12 0.00 0.00 56.93 57.78 1wim s PHE 30 Cb -0.14 0.19 -0.05 0.00 -0.57 0.00 0.00 43.02 42.44 1wim s PHE 30 CO 0.12 -0.38 1.35 0.00 -0.10 0.00 0.00 175.22 176.21 1wim n THR 32 N 4.54 -0.25 -0.02 0.00 -1.04 -1.24 -0.43 114.28 115.84 1wim n THR 32 Ca 0.12 1.34 -0.01 0.00 -2.04 0.00 0.00 64.05 63.46 1wim n THR 32 Cb 0.44 -1.92 -0.01 0.00 -1.82 0.00 0.00 70.33 67.02 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 -0.22 0.03 -4.42 4.07 -1.90 0.48 115.31 113.36 1wim h LEU 33 Ca 0.34 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.33 1wim h LEU 33 Cb 0.65 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1wim h LEU 33 CO -0.58 -0.04 -0.13 0.00 -1.08 0.00 0.00 178.44 176.60 1wim n LEU 35 N -3.20 0.20 0.28 0.00 4.77 -1.01 0.29 117.00 118.33 1wim n LEU 35 Ca -0.02 1.61 -0.16 0.00 -0.03 0.00 0.00 56.01 57.41 1wim n LEU 35 Cb 0.10 -0.72 -0.08 0.00 -2.33 0.00 0.00 43.42 40.39 1wim n LEU 35 CO 0.04 -1.75 0.70 0.50 -1.33 0.00 0.00 177.39 175.55 1wim h LYS 36 N 0.00 -0.63 0.00 3.23 3.64 0.86 0.38 116.57 124.04 1wim h LYS 36 Ca 0.75 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 60.12 1wim h LYS 36 Cb 1.87 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.83 1wim h LYS 36 CO -0.79 -0.41 -0.22 1.96 -2.27 0.00 0.00 179.45 177.72 1wim h GLN 37 N -0.67 0.00 0.50 1.90 7.50 0.83 -0.48 115.11 124.69 1wim h GLN 37 Ca -0.07 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.06 1wim h GLN 37 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.05 1wim h GLN 37 CO 0.11 0.22 -0.24 -0.92 -1.50 0.00 0.00 178.83 176.50 1wim h TYR 38 N 0.00 -0.62 0.00 2.96 3.20 0.15 0.27 116.97 122.92 1wim h TYR 38 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1wim h TYR 38 Cb 0.42 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1wim h TYR 38 CO 0.00 -0.35 -0.11 -0.39 -1.64 0.00 0.00 178.16 175.67 1wim h VAL 39 N -1.13 0.57 0.16 1.81 -1.51 -0.90 -2.36 116.25 112.89 1wim h VAL 39 Ca -0.07 -0.49 -0.01 0.00 -1.23 0.00 0.00 66.70 64.91 1wim h VAL 39 Cb 0.56 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1wim h VAL 39 CO 0.11 0.11 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.15 1wim h GLU 40 N 0.00 -0.20 -1.00 5.19 5.08 -1.07 -2.41 114.58 120.16 1wim h GLU 40 Ca -0.00 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 1wim h GLU 40 Cb 0.31 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.50 1wim h GLU 40 CO 0.01 -0.06 0.61 -0.07 -1.00 0.00 0.00 179.01 178.50 1wim h LEU 41 N -1.04 0.74 0.48 1.33 -0.00 -0.89 0.30 115.31 116.23 1wim h LEU 41 Ca -0.02 0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1wim h LEU 41 Cb 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1wim h LEU 41 CO 0.04 0.24 -0.23 -0.07 -0.00 0.00 0.00 178.44 178.41 1wim h LEU 42 N 0.71 -0.55 0.34 1.67 3.38 -1.53 -3.01 115.31 116.32 1wim h LEU 42 Ca 0.59 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.48 1wim h LEU 42 Cb 0.99 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1wim h LEU 42 CO -0.38 -0.18 -0.36 0.40 0.09 0.00 0.00 178.44 178.01 1wim h ILE 43 N -0.99 0.27 -1.00 1.22 2.04 -0.85 -2.23 117.51 115.97 1wim h ILE 43 Ca -0.07 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.17 1wim h ILE 43 Cb 0.59 0.27 -0.18 0.00 -0.74 0.00 0.00 36.82 36.76 1wim h ILE 43 CO 0.11 0.00 0.39 0.11 0.00 0.00 0.00 178.15 178.76 1wim h LYS 44 N -0.73 0.01 0.30 2.37 1.57 -0.53 0.13 116.57 119.69 1wim h LYS 44 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1wim h LYS 44 Cb 0.66 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 1wim h LYS 44 CO -0.07 0.01 -0.52 1.49 -0.57 0.00 0.00 179.45 179.79 1wim h GLU 45 N 0.01 -0.84 0.00 3.15 4.81 -1.25 -3.47 114.58 116.99 1wim h GLU 45 Ca 0.77 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 60.06 1wim h GLU 45 Cb 1.94 0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.51 1wim h GLU 45 CO -0.81 -0.56 0.00 0.41 -0.73 0.00 0.00 179.01 177.32 1wim n GLY 46 N -1.53 3.08 0.36 1.92 0.00 0.44 -4.91 105.19 104.56 1wim n GLY 46 Ca -0.10 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.76 -9.94 0.99 6.46 -1.86 -3.39 115.31 105.81 1wim h LEU 47 Ca 0.00 0.26 -0.47 0.00 -0.12 0.00 0.00 57.88 57.55 1wim h LEU 47 Cb 0.00 0.77 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1wim h LEU 47 CO 0.00 -0.23 0.37 -0.70 -0.62 0.00 0.00 178.44 177.26 1wim s GLU 48 N -5.13 4.40 -0.15 1.25 2.12 -1.26 -4.98 118.70 114.94 1wim s GLU 48 Ca -0.11 1.35 -0.01 0.00 0.36 0.00 0.00 54.97 56.57 1wim s GLU 48 Cb 0.09 -2.62 -0.09 0.00 0.26 0.00 0.00 34.13 31.77 1wim s GLU 48 CO 0.52 0.10 -0.15 0.25 -0.54 0.00 0.00 175.26 175.44 1wim n THR 49 N 0.17 0.85 -2.85 -1.70 -2.24 -1.26 -4.80 114.28 102.44 1wim n THR 49 Ca 0.04 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 61.21 1wim n THR 49 Cb 0.51 -1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 67.51 1wim n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wim s ALA 50 N -2.29 3.29 -0.66 6.98 0.00 -1.26 -4.95 121.76 122.87 1wim s ALA 50 Ca -0.20 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1wim s ALA 50 Cb 0.06 -2.80 0.16 0.00 0.00 0.00 0.00 23.12 20.54 1wim s ALA 50 CO 0.32 0.05 0.46 0.42 0.00 0.00 0.00 175.76 177.01 1wim s ILE 51 N -2.31 3.38 1.44 0.00 -1.09 -1.26 -5.02 121.20 116.35 1wim s ILE 51 Ca 0.54 -3.45 -0.24 0.00 -2.23 0.00 0.00 60.65 55.27 1wim s ILE 51 Cb -0.10 -3.21 0.37 0.00 -1.58 0.00 0.00 42.46 37.94 1wim s ILE 51 CO 0.27 -0.92 0.93 -0.44 -1.23 0.00 0.00 174.94 173.56 1wim s SER 52 N -0.10 -1.22 0.20 3.58 0.01 -1.26 -1.93 113.70 112.99 1wim s SER 52 Ca 0.20 0.75 -0.30 0.00 1.31 0.00 0.00 55.95 57.91 1wim s SER 52 Cb -0.17 -1.03 -0.08 0.00 0.21 0.00 0.00 66.02 64.95 1wim s SER 52 CO -0.06 -5.45 1.23 0.00 0.41 0.00 0.00 173.24 169.37 1wim n PRO 54 N 2.36 0.04 -2.15 0.00 -0.04 -1.26 -4.78 135.00 129.17 1wim n PRO 54 Ca 0.04 0.29 -0.33 0.00 -0.04 0.00 0.00 63.50 63.46 1wim n PRO 54 Cb 0.44 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 -3.29 5.84 -0.09 3.54 2.15 -1.26 -4.98 116.67 118.58 1wim s ASP 55 Ca 0.06 1.90 0.19 0.00 0.43 0.00 0.00 52.55 55.13 1wim s ASP 55 Cb 0.09 -2.55 -0.28 0.00 -0.30 0.00 0.00 42.92 39.88 1wim s ASP 55 CO 0.29 -1.13 0.29 0.00 -0.17 0.00 0.00 175.17 174.45 1wim n ALA 56 N -1.75 2.26 -2.29 3.66 0.00 -1.26 -4.50 120.51 116.62 1wim n ALA 56 Ca 0.09 -0.79 -0.30 0.00 0.00 0.00 0.00 53.44 52.44 1wim n ALA 56 Cb 0.52 -0.48 0.01 0.00 0.00 0.00 0.00 19.45 19.51 1wim n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wim n ALA 57 N -2.41 5.46 -3.31 0.00 0.00 -1.26 -4.97 120.51 114.02 1wim n ALA 57 Ca -0.15 -4.24 -0.43 0.00 0.00 0.00 0.00 53.44 48.63 1wim n ALA 57 Cb 0.77 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 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 5.06 0.09 -0.03 0.00 -0.04 -1.26 -2.76 135.00 136.06 1wim n PRO 59 Ca -0.11 0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 63.51 1wim n PRO 59 Cb 0.41 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.83 0.71 -3.37 0.54 0.00 -1.26 -5.02 118.16 107.93 1wim n LYS 60 Ca 0.03 0.24 -0.16 0.00 0.00 0.00 0.00 58.31 58.41 1wim n LYS 60 Cb 0.19 -1.69 0.08 0.00 0.00 0.00 0.00 35.03 33.62 1wim n LYS 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1wim n GLN 61 N -3.31 -5.13 -2.83 1.64 6.02 -1.11 -4.96 117.38 107.69 1wim n GLN 61 Ca -0.31 0.86 -0.41 0.00 -0.01 0.00 0.00 57.00 57.13 1wim n GLN 61 Cb 1.05 -5.86 -0.05 0.00 1.02 0.00 0.00 30.24 26.40 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 -4.03 2.92 0.65 1.08 0.00 -1.26 -4.78 107.32 101.90 1wim s GLY 62 Ca 0.16 0.46 -0.04 0.00 0.00 0.00 0.00 44.72 45.29 1wim s GLY 62 CO 0.73 1.31 0.94 0.30 0.00 0.00 0.00 173.10 176.38 1wim s HIS 63 N -0.04 2.91 -0.21 1.90 3.76 -1.26 -2.53 115.29 119.82 1wim s HIS 63 Ca 0.43 0.31 -0.14 0.00 -0.15 0.00 0.00 55.06 55.52 1wim s HIS 63 Cb -0.22 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.38 1wim s HIS 63 CO 0.27 -1.23 0.30 -0.51 -0.85 0.00 0.00 174.74 172.72 1wim s LEU 64 N -5.09 4.16 0.76 0.89 2.01 -0.81 -4.73 118.68 115.86 1wim s LEU 64 Ca 0.59 0.38 -0.12 0.00 0.01 0.00 0.00 54.13 54.99 1wim s LEU 64 Cb -0.11 -2.35 0.05 0.00 0.01 0.00 0.00 46.19 43.79 1wim s LEU 64 CO 0.43 -0.00 1.11 -1.10 1.01 0.00 0.00 176.35 177.80 1wim s GLN 65 N 1.09 2.21 0.09 1.70 -0.21 -1.26 -4.79 119.66 118.49 1wim s GLN 65 Ca 0.15 1.34 -0.34 0.00 0.02 0.00 0.00 55.36 56.53 1wim s GLN 65 Cb -0.14 -1.88 -0.16 0.00 1.00 0.00 0.00 33.01 31.83 1wim s GLN 65 CO 0.06 -1.70 1.59 1.49 -2.12 0.00 0.00 175.29 174.61 1wim h GLU 66 N -0.85 -0.87 -0.93 2.91 4.81 -2.00 -2.47 114.58 115.18 1wim h GLU 66 Ca -0.45 0.06 0.25 0.00 -0.13 0.00 0.00 59.36 59.10 1wim h GLU 66 Cb 1.25 0.20 -0.17 0.00 0.63 0.00 0.00 28.75 30.65 1wim h GLU 66 CO 0.50 -0.58 0.01 0.27 -0.73 0.00 0.00 179.01 178.48 1wim n ASN 67 N -5.53 -0.12 0.39 1.04 6.94 -1.26 -0.16 115.26 116.57 1wim n ASN 67 Ca -0.11 1.59 -0.18 0.00 -0.02 0.00 0.00 54.58 55.86 1wim n ASN 67 Cb 0.42 -0.57 -0.09 0.00 -2.36 0.00 0.00 39.78 37.18 1wim n ASN 67 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1wim h GLU 68 N 0.00 -1.05 -0.07 -3.83 4.39 -1.82 -2.82 114.58 109.38 1wim h GLU 68 Ca 0.56 0.07 0.04 0.00 0.34 0.00 0.00 59.36 60.37 1wim h GLU 68 Cb 1.15 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 29.99 1wim h GLU 68 CO -0.88 -0.70 -0.23 0.82 -1.16 0.00 0.00 179.01 176.86 1wim h ILE 69 N -1.09 0.46 -0.52 3.13 2.04 -0.55 0.23 117.51 121.21 1wim h ILE 69 Ca -0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1wim h ILE 69 Cb 0.87 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1wim h ILE 69 CO 0.09 0.00 -0.31 1.21 0.00 0.00 0.00 178.15 179.15 1wim n GLU 70 N -5.35 -0.23 -0.07 2.37 2.13 0.78 -0.57 120.64 119.70 1wim n GLU 70 Ca -0.04 1.13 -0.11 0.00 0.66 0.00 0.00 57.16 58.80 1wim n GLU 70 Cb 0.27 -1.67 -0.05 0.00 0.27 0.00 0.00 31.44 30.26 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 0.12 -0.01 -6.39 0.00 1.85 0.13 -3.41 114.93 107.22 1wim h MET 72 Ca 0.06 0.00 -0.53 0.00 -0.61 0.00 0.00 59.70 58.62 1wim h MET 72 Cb 0.39 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.43 1wim h MET 72 CO 0.01 -0.01 -0.16 0.14 -0.40 0.00 0.00 176.91 176.49 1wim s VAL 73 N -6.13 1.90 0.11 -5.77 -7.23 0.27 -4.89 120.40 98.66 1wim s VAL 73 Ca -0.14 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1wim s VAL 73 Cb 0.23 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1wim s VAL 73 CO 0.75 0.00 0.25 0.00 -0.31 0.00 0.00 175.10 175.78 1wim s ALA 74 N -2.73 3.96 0.18 1.32 0.00 -1.26 -4.82 121.76 118.42 1wim s ALA 74 Ca 0.52 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 1wim s ALA 74 Cb -0.04 -1.78 0.15 0.00 0.00 0.00 0.00 23.12 21.45 1wim s ALA 74 CO 0.33 0.66 1.28 0.00 0.00 0.00 0.00 175.76 178.02 1wim n ALA 75 N -0.19 -0.18 -0.32 0.00 0.00 -1.26 0.66 120.51 119.23 1wim n ALA 75 Ca -0.06 0.80 0.03 0.00 0.00 0.00 0.00 53.44 54.21 1wim n ALA 75 Cb 0.53 -0.32 0.11 0.00 0.00 0.00 0.00 19.45 19.76 1wim n ALA 75 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1wim h GLU 76 N 0.00 -0.01 0.26 0.00 4.11 -2.00 -0.30 114.58 116.64 1wim h GLU 76 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.68 1wim h GLU 76 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1wim h GLU 76 CO -0.81 -0.00 -0.12 0.82 0.07 0.00 0.00 179.01 178.96 1wim h ILE 77 N -0.01 0.28 -0.77 -1.06 1.08 -0.15 -3.34 117.51 113.54 1wim h ILE 77 Ca 0.42 -0.86 0.09 0.00 -0.39 0.00 0.00 64.86 64.11 1wim h ILE 77 Cb 0.65 0.48 -0.11 0.00 -3.07 0.00 0.00 36.82 34.77 1wim h ILE 77 CO -0.92 0.08 -0.39 0.80 -0.69 0.00 0.00 178.15 177.03 1wim n MET 78 N -5.00 -0.27 -0.32 2.37 1.56 0.46 0.41 117.12 116.33 1wim n MET 78 Ca -0.06 1.17 0.00 0.00 -0.27 0.00 0.00 57.70 58.54 1wim n MET 78 Cb 0.20 -1.72 0.05 0.00 2.15 0.00 0.00 33.22 33.89 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 -5.03 -0.17 -0.22 2.12 7.27 -0.18 0.12 117.38 121.29 1wim n GLN 79 Ca 0.04 1.29 0.02 0.00 0.07 0.00 0.00 57.00 58.43 1wim n GLN 79 Cb 0.25 -1.92 0.13 0.00 2.41 0.00 0.00 30.24 31.11 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 0.18 -0.06 3.69 3.08 -0.19 0.67 114.38 121.76 1wim h ARG 80 Ca 0.31 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.39 1wim h ARG 80 Cb 0.52 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1wim h ARG 80 CO -0.84 0.12 -0.18 -0.92 -1.07 0.00 0.00 179.97 177.09 1wim h TYR 81 N 0.19 -0.46 -0.31 3.04 3.20 0.10 -2.21 116.97 120.52 1wim h TYR 81 Ca 0.35 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.26 1wim h TYR 81 Cb 0.57 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1wim h TYR 81 CO -0.31 -0.25 0.17 0.87 -1.64 0.00 0.00 178.16 177.00 1wim h LYS 82 N -0.25 0.35 -0.73 1.82 1.57 -0.73 -2.56 116.57 116.03 1wim h LYS 82 Ca 0.07 -0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.00 1wim h LYS 82 Cb 0.36 -0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.47 1wim h LYS 82 CO -0.21 0.23 0.06 -0.22 -0.57 0.00 0.00 179.45 178.74 1wim h LYS 83 N 0.36 0.15 -0.18 3.15 3.64 -0.49 0.20 116.57 123.40 1wim h LYS 83 Ca 0.12 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1wim h LYS 83 Cb 0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1wim h LYS 83 CO -0.07 0.10 0.09 -0.07 -2.27 0.00 0.00 179.45 177.23 1wim h LEU 84 N 0.15 0.14 -0.06 5.20 3.38 -1.01 -2.36 115.31 120.75 1wim h LEU 84 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1wim h LEU 84 Cb 0.71 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1wim h LEU 84 CO -0.60 0.11 0.04 1.56 0.09 0.00 0.00 178.44 179.64 1wim h GLN 85 N 0.20 0.07 -0.65 1.13 1.08 -0.76 -2.79 115.11 113.40 1wim h GLN 85 Ca 0.07 -0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.40 1wim h GLN 85 Cb 0.01 -0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 27.31 1wim h GLN 85 CO -0.04 0.05 0.02 0.35 -0.95 0.00 0.00 178.83 178.25 1wim h PHE 86 N 0.08 -0.02 -0.55 2.96 3.57 -0.51 -0.27 116.94 122.20 1wim h PHE 86 Ca 0.02 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1wim h PHE 86 Cb -0.01 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 1wim h PHE 86 CO -0.08 -0.17 0.14 0.93 -2.23 0.00 0.00 178.31 176.90 1wim h GLU 87 N 0.13 0.27 -3.30 1.11 4.39 -1.16 -3.21 114.58 112.81 1wim h GLU 87 Ca 0.34 -0.02 -0.70 0.00 0.34 0.00 0.00 59.36 59.32 1wim h GLU 87 Cb 0.56 -0.06 -0.36 0.00 -0.10 0.00 0.00 28.75 28.79 1wim h GLU 87 CO -0.55 0.18 -0.10 0.54 -1.16 0.00 0.00 179.01 177.93 1wim n ARG 88 N -5.09 2.63 -4.34 2.33 1.74 -0.13 -5.04 116.66 108.76 1wim n ARG 88 Ca 0.07 -4.48 -0.17 0.00 -0.77 0.00 0.00 57.85 52.49 1wim n ARG 88 Cb 0.27 -2.41 -0.10 0.00 -1.02 0.00 0.00 32.46 29.20 1wim n ARG 88 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wim s SER 89 N -0.23 1.96 0.00 0.55 0.15 -1.13 -4.82 113.70 110.18 1wim s SER 89 Ca 0.28 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.73 1wim s SER 89 Cb -0.07 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1wim s SER 89 CO -0.13 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1wim n GLY 90 N -0.42 -0.30 3.77 9.45 0.00 -1.26 -5.03 105.19 111.39 1wim n GLY 90 Ca -0.06 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.36 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 0.00 4.15 -0.22 1.61 0.04 -1.26 -5.03 135.00 134.29 1wim s PRO 91 Ca 0.00 1.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 1wim s PRO 91 Cb 0.00 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.73 1wim s PRO 91 CO 0.00 -0.27 -0.03 -1.12 0.04 0.00 0.00 177.00 175.63 1wim s SER 92 N -0.97 4.43 -0.04 6.66 0.01 -1.26 -4.99 113.70 117.54 1wim s SER 92 Ca 0.55 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.43 1wim s SER 92 Cb -0.33 -1.76 -0.07 0.00 0.21 0.00 0.00 66.02 64.06 1wim s SER 92 CO 0.42 -0.01 2.59 -1.54 0.41 0.00 0.00 173.24 175.11 1wim n SER 93 N 4.73 5.45 0.00 2.44 3.41 -1.26 -5.32 113.62 123.07 1wim n SER 93 Ca -0.18 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1wim n SER 93 Cb 0.51 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1wim n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49