#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 -0.27 -0.08 1.61 0.01 -1.26 -5.16 113.70 108.56 1wim s SER 2 Ca 0.00 0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.79 1wim s SER 2 Cb 0.00 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.65 1wim s SER 2 CO 0.00 -0.14 -0.10 -0.94 0.41 0.00 0.00 173.24 172.47 1wim s SER 3 N 0.88 4.36 0.00 2.44 1.04 -1.26 -4.87 113.70 116.29 1wim s SER 3 Ca -0.06 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1wim s SER 3 Cb -0.07 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.87 1wim s SER 3 CO -0.06 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1wim n GLY 4 N 2.56 -0.20 3.29 7.32 0.00 -1.26 -5.15 105.19 111.74 1wim n GLY 4 Ca -0.18 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1wim n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wim n SER 5 N 0.00 -3.15 0.00 1.61 7.64 -1.26 -4.12 113.62 114.34 1wim n SER 5 Ca 0.00 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1wim n SER 5 Cb 0.00 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1wim n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wim n SER 6 N 1.38 3.36 -0.30 6.43 7.64 0.15 -4.87 113.62 127.41 1wim n SER 6 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1wim n SER 6 Cb 0.51 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 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 1.84 -2.54 3.64 0.23 0.00 -1.23 -4.92 105.19 102.21 1wim n GLY 7 Ca 0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 6.45 0.07 -0.05 0.00 4.81 -1.26 0.15 118.16 128.33 1wim n LYS 9 Ca 0.09 0.24 -0.05 0.00 -0.87 0.00 0.00 58.31 57.72 1wim n LYS 9 Cb 0.47 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 34.00 1wim n LYS 9 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1wim n LEU 10 N -1.28 1.11 -1.60 3.14 4.77 -1.26 -4.62 117.00 117.25 1wim n LEU 10 Ca 0.02 0.19 0.06 0.00 -0.03 0.00 0.00 56.01 56.25 1wim n LEU 10 Cb 0.04 -0.61 0.32 0.00 -2.33 0.00 0.00 43.42 40.84 1wim n LEU 10 CO 0.04 -0.39 0.75 0.00 -1.33 0.00 0.00 177.39 176.46 1wim n LEU 12 N 0.54 -0.61 -4.41 0.00 7.94 0.39 -4.85 117.00 116.01 1wim n LEU 12 Ca 0.22 -0.82 -0.33 0.00 -1.11 0.00 0.00 56.01 53.98 1wim n LEU 12 Cb 0.99 -1.02 -0.14 0.00 0.53 0.00 0.00 43.42 43.78 1wim n LEU 12 CO 0.26 0.27 -0.47 -0.83 -1.11 0.00 0.00 177.39 175.51 1wim s GLY 13 N -3.71 1.50 -0.54 -3.96 0.00 -1.22 -4.72 107.32 94.67 1wim s GLY 13 Ca 0.07 -0.96 -0.28 0.00 0.00 0.00 0.00 44.72 43.55 1wim s GLY 13 CO 0.64 -0.56 1.40 -0.54 0.00 0.00 0.00 173.10 174.04 1wim s GLU 14 N -0.29 3.36 0.11 2.90 0.41 -1.26 0.63 118.70 124.56 1wim s GLU 14 Ca 0.02 0.52 0.06 0.00 -0.41 0.00 0.00 54.97 55.16 1wim s GLU 14 Cb -0.13 -4.10 -0.04 0.00 -1.78 0.00 0.00 34.13 28.09 1wim s GLU 14 CO 0.03 -1.86 -0.15 0.71 -0.49 0.00 0.00 175.26 173.49 1wim s TYR 15 N 5.90 1.44 0.41 1.61 2.02 -1.26 -4.84 117.35 122.63 1wim s TYR 15 Ca 0.53 -0.50 -0.25 0.00 -0.37 0.00 0.00 57.07 56.48 1wim s TYR 15 Cb -0.11 -0.77 -0.08 0.00 -0.40 0.00 0.00 41.96 40.60 1wim s TYR 15 CO 0.26 0.14 1.18 -1.25 -1.57 0.00 0.00 175.55 174.32 1wim s PRO 16 N -2.30 3.98 0.65 -1.71 0.04 -1.26 -0.68 135.00 133.72 1wim s PRO 16 Ca 0.06 1.86 0.26 0.00 0.04 0.00 0.00 61.00 63.21 1wim s PRO 16 Cb -0.07 -2.62 1.37 0.00 0.04 0.00 0.00 34.50 33.21 1wim s PRO 16 CO 0.03 -0.39 1.78 -0.39 0.04 0.00 0.00 177.00 178.07 1wim h VAL 17 N 2.24 0.05 -0.63 -0.36 -1.51 -1.92 0.19 116.25 114.32 1wim h VAL 17 Ca -0.49 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.94 1wim h VAL 17 Cb 1.24 0.56 -0.03 0.00 -2.13 0.00 0.00 31.29 30.92 1wim h VAL 17 CO 0.62 0.00 0.23 -0.33 -1.23 0.00 0.00 177.57 176.86 1wim h GLU 18 N 0.00 0.93 -0.84 5.19 5.08 -1.94 -2.60 114.58 120.39 1wim h GLU 18 Ca 0.04 -0.16 -0.52 0.00 -1.00 0.00 0.00 59.36 57.72 1wim h GLU 18 Cb 0.96 -0.15 -0.28 0.00 0.50 0.00 0.00 28.75 29.78 1wim h GLU 18 CO -0.00 0.77 0.41 1.04 -1.00 0.00 0.00 179.01 180.24 1wim n GLN 19 N -4.30 2.50 -4.11 2.33 6.02 0.67 -4.96 117.38 115.53 1wim n GLN 19 Ca 0.05 -3.29 -0.13 0.00 -0.01 0.00 0.00 57.00 53.62 1wim n GLN 19 Cb 0.19 -2.16 -0.11 0.00 1.02 0.00 0.00 30.24 29.17 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 -3.52 0.67 -0.05 -1.09 -1.94 -0.98 -2.68 119.30 109.70 1wim s MET 20 Ca 0.57 -0.97 0.02 0.00 -1.71 0.00 0.00 55.69 53.59 1wim s MET 20 Cb 0.47 -0.33 0.02 0.00 2.01 0.00 0.00 34.83 37.00 1wim s MET 20 CO 0.03 0.04 -0.08 0.99 -0.01 0.00 0.00 175.02 176.00 1wim s THR 21 N -2.11 0.79 -0.22 2.05 2.01 0.63 -4.89 115.64 113.90 1wim s THR 21 Ca -0.02 -0.27 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 1wim s THR 21 Cb -0.05 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1wim s THR 21 CO -0.01 0.28 0.08 -0.89 -0.69 0.00 0.00 174.62 173.40 1wim s THR 22 N 0.83 4.71 0.15 -0.82 2.01 -1.26 -1.56 115.64 119.69 1wim s THR 22 Ca -0.12 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 1wim s THR 22 Cb -0.15 -3.16 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 1wim s THR 22 CO 0.01 0.39 0.92 -0.63 -0.69 0.00 0.00 174.62 174.62 1wim s ILE 23 N 0.98 4.38 -0.29 1.82 1.01 0.75 -4.93 121.20 124.92 1wim s ILE 23 Ca 0.05 2.00 0.03 0.00 0.00 0.00 0.00 60.65 62.72 1wim s ILE 23 Cb -0.14 -4.29 0.35 0.00 0.01 0.00 0.00 42.46 38.40 1wim s ILE 23 CO 0.03 0.40 1.40 0.00 0.00 0.00 0.00 174.94 176.77 1wim n ALA 24 N 2.28 3.91 -0.03 9.38 0.00 -1.26 -2.12 120.51 132.67 1wim n ALA 24 Ca -0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 53.44 52.02 1wim n ALA 24 Cb 0.49 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.22 0.14 -0.21 0.00 1.13 -1.26 -4.81 117.38 112.16 1wim n GLN 25 Ca 0.27 0.04 0.03 0.00 -1.94 0.00 0.00 57.00 55.41 1wim n GLN 25 Cb 1.03 -0.97 0.04 0.00 0.11 0.00 0.00 30.24 30.45 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 -0.49 -4.36 -4.29 0.00 3.00 -0.90 -4.95 117.38 105.39 1wim n GLN 27 Ca 0.05 0.50 -0.35 0.00 -0.01 0.00 0.00 57.00 57.19 1wim n GLN 27 Cb 0.58 -5.13 -0.09 0.00 0.00 0.00 0.00 30.24 25.60 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 -0.82 3.22 0.04 0.00 2.07 -1.26 -0.17 121.20 124.27 1wim s ILE 29 Ca 0.13 -0.93 -0.18 0.00 -1.41 0.00 0.00 60.65 58.25 1wim s ILE 29 Cb -0.12 -2.36 0.04 0.00 0.13 0.00 0.00 42.46 40.15 1wim s ILE 29 CO 0.02 0.40 0.41 -0.36 -1.91 0.00 0.00 174.94 173.51 1wim s PHE 30 N -0.93 -0.27 0.08 3.50 0.08 -0.60 -3.97 117.98 115.86 1wim s PHE 30 Ca 0.15 0.23 -0.30 0.00 0.12 0.00 0.00 56.93 57.14 1wim s PHE 30 Cb -0.11 0.22 -0.05 0.00 -0.57 0.00 0.00 43.02 42.51 1wim s PHE 30 CO 0.06 -0.57 1.02 0.00 -0.10 0.00 0.00 175.22 175.62 1wim n THR 32 N 3.26 -0.18 -0.29 0.00 -1.04 -1.09 0.12 114.28 115.06 1wim n THR 32 Ca 0.04 1.18 -0.06 0.00 -2.04 0.00 0.00 64.05 63.18 1wim n THR 32 Cb 0.49 -1.51 -0.04 0.00 -1.82 0.00 0.00 70.33 67.45 1wim n THR 32 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wim n LEU 33 N -3.54 -0.65 0.13 -4.42 7.99 -1.26 0.11 117.00 115.35 1wim n LEU 33 Ca 0.01 1.23 -0.06 0.00 -0.01 0.00 0.00 56.01 57.18 1wim n LEU 33 Cb 0.07 -0.20 -0.03 0.00 -0.11 0.00 0.00 43.42 43.15 1wim n LEU 33 CO -0.04 -1.04 0.51 0.00 -1.51 0.00 0.00 177.39 175.31 1wim h LEU 35 N -0.36 0.00 0.14 0.00 3.38 -0.19 0.12 115.31 118.40 1wim h LEU 35 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wim h LEU 35 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1wim h LEU 35 CO 0.03 0.00 -0.07 0.50 0.09 0.00 0.00 178.44 178.99 1wim h LYS 36 N 0.00 -0.18 -0.89 1.13 3.64 0.15 -3.07 116.57 117.36 1wim h LYS 36 Ca 0.18 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1wim h LYS 36 Cb 1.58 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.38 1wim h LYS 36 CO -0.00 -0.12 0.58 1.96 -2.27 0.00 0.00 179.45 179.59 1wim h GLN 37 N -0.80 0.96 0.12 1.90 4.20 0.09 0.22 115.11 121.80 1wim h GLN 37 Ca -0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1wim h GLN 37 Cb 0.14 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1wim h GLN 37 CO 0.03 0.64 -0.11 -0.92 -0.67 0.00 0.00 178.83 177.80 1wim h TYR 38 N 0.99 -0.31 -0.62 2.96 3.20 -0.95 0.46 116.97 122.70 1wim h TYR 38 Ca 0.38 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1wim h TYR 38 Cb 0.21 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1wim h TYR 38 CO -0.00 -0.15 0.35 -0.39 -1.64 0.00 0.00 178.16 176.33 1wim h VAL 39 N -0.23 1.18 0.29 1.81 -1.51 -1.44 -2.54 116.25 113.81 1wim h VAL 39 Ca -0.01 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1wim h VAL 39 Cb 0.20 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 29.68 1wim h VAL 39 CO -0.01 0.20 -0.24 -0.33 -1.23 0.00 0.00 177.57 175.95 1wim h GLU 40 N 0.85 -0.50 -0.60 5.19 5.08 -0.39 -1.02 114.58 123.20 1wim h GLU 40 Ca 0.22 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.74 1wim h GLU 40 Cb -0.00 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.26 1wim h GLU 40 CO -0.04 -0.33 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.52 1wim h LEU 41 N -0.52 -0.36 -0.82 1.33 4.07 -0.86 0.26 115.31 118.41 1wim h LEU 41 Ca -0.04 0.16 0.15 0.00 0.08 0.00 0.00 57.88 58.23 1wim h LEU 41 Cb 0.44 0.30 -0.10 0.00 1.08 0.00 0.00 40.66 42.38 1wim h LEU 41 CO -0.00 -0.14 0.39 -0.07 -1.08 0.00 0.00 178.44 177.54 1wim h LEU 42 N 0.08 0.44 -0.18 1.67 3.38 -1.29 0.19 115.31 119.60 1wim h LEU 42 Ca 0.30 0.10 -0.20 0.00 0.09 0.00 0.00 57.88 58.17 1wim h LEU 42 Cb 0.48 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1wim h LEU 42 CO -0.54 0.18 -0.69 0.40 0.09 0.00 0.00 178.44 177.88 1wim h ILE 43 N 0.56 1.29 -0.52 1.22 2.04 0.45 -3.14 117.51 119.40 1wim h ILE 43 Ca 0.45 -1.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 1wim h ILE 43 Cb 0.66 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 1wim h ILE 43 CO -0.38 0.60 0.25 0.11 0.00 0.00 0.00 178.15 178.73 1wim h LYS 44 N 0.51 0.72 0.83 2.37 1.57 0.61 -3.06 116.57 120.12 1wim h LYS 44 Ca -0.04 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1wim h LYS 44 Cb 1.31 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1wim h LYS 44 CO 0.14 0.56 -0.40 1.49 -0.57 0.00 0.00 179.45 180.68 1wim h GLU 45 N 0.73 -1.07 -0.04 3.15 4.57 -0.65 -3.48 114.58 117.78 1wim h GLU 45 Ca 0.18 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1wim h GLU 45 Cb 0.08 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1wim h GLU 45 CO -0.02 -0.71 0.00 0.41 -1.18 0.00 0.00 179.01 177.51 1wim n GLY 46 N -1.41 1.29 0.26 1.92 0.00 -1.16 -5.03 105.19 101.06 1wim n GLY 46 Ca -0.15 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1wim n GLY 46 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wim n LEU 47 N -0.02 0.00 -4.47 0.99 7.94 -1.26 -4.94 117.00 115.24 1wim n LEU 47 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 1wim n LEU 47 Cb 0.21 -0.12 -0.04 0.00 0.53 0.00 0.00 43.42 44.00 1wim n LEU 47 CO 0.00 -0.25 0.79 -1.83 -1.11 0.00 0.00 177.39 174.99 1wim s GLU 48 N -0.50 3.14 0.07 1.96 -1.05 -1.26 -4.93 118.70 116.13 1wim s GLU 48 Ca 0.00 -0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 53.82 1wim s GLU 48 Cb 0.00 -4.20 -0.14 0.00 -0.44 0.00 0.00 34.13 29.35 1wim s GLU 48 CO 0.00 -1.80 1.45 1.15 0.95 0.00 0.00 175.26 177.01 1wim h THR 49 N 5.98 0.00 -3.17 1.83 2.02 -1.92 -3.42 112.91 114.24 1wim h THR 49 Ca -0.28 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.37 1wim h THR 49 Cb 1.07 0.00 0.07 0.00 -1.74 0.00 0.00 68.15 67.55 1wim h THR 49 CO 1.18 0.00 0.88 0.00 0.37 0.00 0.00 175.52 177.95 1wim s ALA 50 N -5.36 3.76 -0.35 6.16 0.00 -1.26 -4.98 121.76 119.73 1wim s ALA 50 Ca -0.15 1.51 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 1wim s ALA 50 Cb 0.03 -3.64 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1wim s ALA 50 CO 0.49 -0.91 0.19 0.42 0.00 0.00 0.00 175.76 175.95 1wim s ILE 51 N 0.32 4.62 0.67 0.00 1.01 -1.26 -5.08 121.20 121.48 1wim s ILE 51 Ca 0.65 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 1wim s ILE 51 Cb -0.47 -3.49 0.14 0.00 0.01 0.00 0.00 42.46 38.65 1wim s ILE 51 CO 0.42 -0.12 0.92 -1.54 0.00 0.00 0.00 174.94 174.62 1wim n SER 52 N 5.00 0.79 -4.75 3.58 3.41 -1.26 -1.19 113.62 119.19 1wim n SER 52 Ca -0.13 -1.77 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 1wim n SER 52 Cb 0.47 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 1wim n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wim n PRO 54 N 2.11 0.49 -3.59 0.00 -0.04 -1.26 -4.59 135.00 128.12 1wim n PRO 54 Ca 0.06 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 1wim n PRO 54 Cb 0.40 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.95 5.86 0.08 3.54 2.15 -1.26 -4.94 116.67 120.15 1wim s ASP 55 Ca 0.21 -0.38 0.22 0.00 0.43 0.00 0.00 52.55 53.03 1wim s ASP 55 Cb 0.10 -2.08 0.90 0.00 -0.30 0.00 0.00 42.92 41.53 1wim s ASP 55 CO 0.16 -0.18 1.69 0.00 -0.17 0.00 0.00 175.17 176.67 1wim n ALA 56 N 5.05 1.94 -1.13 3.66 0.00 -1.26 -2.65 120.51 126.12 1wim n ALA 56 Ca -0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 1wim n ALA 56 Cb 0.50 -1.37 0.27 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.60 4.19 -2.59 0.00 0.00 -1.26 -4.92 120.51 114.34 1wim n ALA 57 Ca 0.04 -2.54 -0.43 0.00 0.00 0.00 0.00 53.44 50.51 1wim n ALA 57 Cb 0.27 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 5.79 0.05 -0.10 0.00 -0.04 -1.26 -2.53 135.00 136.91 1wim n PRO 59 Ca -0.07 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.52 1wim n PRO 59 Cb 0.47 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.45 0.75 -3.74 0.54 3.00 -1.26 -5.01 118.16 110.99 1wim n LYS 60 Ca 0.04 -0.01 -0.23 0.00 -0.00 0.00 0.00 58.31 58.12 1wim n LYS 60 Cb 0.15 -1.51 0.03 0.00 0.00 0.00 0.00 35.03 33.70 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 -2.74 -4.87 -1.93 1.64 6.02 -1.05 -4.87 117.38 109.57 1wim n GLN 61 Ca -0.32 0.60 -0.42 0.00 -0.01 0.00 0.00 57.00 56.85 1wim n GLN 61 Cb 1.15 -5.17 -0.03 0.00 1.02 0.00 0.00 30.24 27.21 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 -4.25 1.56 0.77 1.08 0.00 -1.26 -4.47 107.32 100.75 1wim s GLY 62 Ca 0.07 1.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.90 1wim s GLY 62 CO 0.82 2.85 1.14 0.30 0.00 0.00 0.00 173.10 178.21 1wim s HIS 63 N 2.46 3.09 -0.24 1.90 0.09 -1.26 -1.57 115.29 119.74 1wim s HIS 63 Ca 0.73 0.85 -0.08 0.00 -0.00 0.00 0.00 55.06 56.56 1wim s HIS 63 Cb -0.40 -3.33 -0.03 0.00 -0.00 0.00 0.00 32.58 28.81 1wim s HIS 63 CO 0.32 -1.55 0.09 -0.51 -0.00 0.00 0.00 174.74 173.10 1wim s LEU 64 N -5.49 3.61 0.58 0.89 2.01 -0.34 -4.76 118.68 115.19 1wim s LEU 64 Ca 0.60 -0.12 -0.18 0.00 0.01 0.00 0.00 54.13 54.45 1wim s LEU 64 Cb -0.11 -1.97 -0.04 0.00 0.01 0.00 0.00 46.19 44.08 1wim s LEU 64 CO 0.50 -0.00 1.12 -1.10 1.01 0.00 0.00 176.35 177.88 1wim s GLN 65 N 1.42 3.18 0.16 1.70 -0.21 -1.26 -4.75 119.66 119.90 1wim s GLN 65 Ca 0.06 1.53 -0.21 0.00 0.02 0.00 0.00 55.36 56.76 1wim s GLN 65 Cb -0.15 -1.99 0.05 0.00 1.00 0.00 0.00 33.01 31.93 1wim s GLN 65 CO 0.05 -0.97 1.63 1.49 -2.12 0.00 0.00 175.29 175.37 1wim h GLU 66 N 0.81 -0.18 -0.84 2.91 4.81 -2.00 -1.73 114.58 118.37 1wim h GLU 66 Ca -0.49 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 58.95 1wim h GLU 66 Cb 1.26 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.52 1wim h GLU 66 CO 0.56 -0.12 -0.12 0.27 -0.73 0.00 0.00 179.01 178.87 1wim n ASN 67 N -5.37 -0.22 0.25 1.04 0.23 -1.26 -0.45 115.26 109.48 1wim n ASN 67 Ca 0.00 1.43 -0.12 0.00 -0.53 0.00 0.00 54.58 55.36 1wim n ASN 67 Cb 0.28 -0.47 -0.06 0.00 -2.08 0.00 0.00 39.78 37.45 1wim n ASN 67 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wim h GLU 68 N 0.00 -0.70 -0.78 -3.83 4.39 -1.68 -2.93 114.58 109.06 1wim h GLU 68 Ca 0.44 0.05 0.18 0.00 0.34 0.00 0.00 59.36 60.37 1wim h GLU 68 Cb 0.78 0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 29.47 1wim h GLU 68 CO -0.83 -0.47 0.18 0.82 -1.16 0.00 0.00 179.01 177.56 1wim h ILE 69 N -0.72 0.45 -0.28 3.13 2.04 -0.80 0.56 117.51 121.89 1wim h ILE 69 Ca -0.06 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1wim h ILE 69 Cb 0.59 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1wim h ILE 69 CO 0.05 0.05 -0.16 1.21 0.00 0.00 0.00 178.15 179.29 1wim n GLU 70 N -5.18 -0.12 -0.01 2.37 0.00 0.40 -0.82 120.64 117.28 1wim n GLU 70 Ca 0.16 0.90 -0.17 0.00 0.00 0.00 0.00 57.16 58.05 1wim n GLU 70 Cb 0.51 -1.34 -0.09 0.00 0.00 0.00 0.00 31.44 30.53 1wim n GLU 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wim n MET 72 N -4.12 -0.08 -4.40 0.00 0.00 0.15 -4.52 117.12 104.14 1wim n MET 72 Ca -0.09 1.41 -0.28 0.00 -0.00 0.00 0.00 57.70 58.74 1wim n MET 72 Cb 0.68 -2.16 -0.07 0.00 0.00 0.00 0.00 33.22 31.67 1wim n MET 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1wim s VAL 73 N -6.06 1.81 0.79 1.12 -7.23 0.00 -4.89 120.40 105.94 1wim s VAL 73 Ca -0.13 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1wim s VAL 73 Cb 0.26 -2.64 0.15 0.00 0.56 0.00 0.00 36.38 34.70 1wim s VAL 73 CO 0.72 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.59 1wim s ALA 74 N -2.73 3.34 0.10 1.32 0.00 -1.26 -4.78 121.76 117.75 1wim s ALA 74 Ca 0.28 -1.63 -0.22 0.00 0.00 0.00 0.00 51.96 50.40 1wim s ALA 74 Cb 0.04 -2.18 -0.13 0.00 0.00 0.00 0.00 23.12 20.85 1wim s ALA 74 CO 0.16 -1.73 1.74 0.00 0.00 0.00 0.00 175.76 175.93 1wim h ALA 75 N -0.82 0.05 -0.97 0.00 0.00 -1.98 0.11 119.26 115.65 1wim h ALA 75 Ca -0.38 0.01 0.28 0.00 0.00 0.00 0.00 54.91 54.82 1wim h ALA 75 Cb 1.26 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1wim h ALA 75 CO 0.39 -0.46 0.49 1.05 0.00 0.00 0.00 179.25 180.72 1wim h GLU 76 N 0.04 0.35 0.00 0.00 4.11 -2.01 -0.63 114.58 116.44 1wim h GLU 76 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wim h GLU 76 Cb 0.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1wim h GLU 76 CO -0.02 0.23 -0.03 0.82 0.07 0.00 0.00 179.01 180.08 1wim h ILE 77 N 0.36 0.00 -0.72 -1.06 1.08 -1.83 -3.36 117.51 111.98 1wim h ILE 77 Ca 0.67 -0.66 0.20 0.00 -0.39 0.00 0.00 64.86 64.69 1wim h ILE 77 Cb 1.43 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.05 1wim h ILE 77 CO -0.59 0.00 0.03 0.80 -0.69 0.00 0.00 178.15 177.71 1wim n MET 78 N -3.82 -0.06 -0.22 2.37 1.56 0.34 0.13 117.12 117.42 1wim n MET 78 Ca -0.00 1.07 -0.01 0.00 -0.27 0.00 0.00 57.70 58.49 1wim n MET 78 Cb 0.01 -1.72 0.06 0.00 2.15 0.00 0.00 33.22 33.73 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 -0.03 -0.32 2.12 4.15 -1.26 -0.38 115.11 119.39 1wim h GLN 79 Ca 0.44 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.94 1wim h GLN 79 Cb 0.93 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.56 1wim h GLN 79 CO -0.67 -0.02 -0.19 0.00 -1.93 0.00 0.00 178.83 176.02 1wim h ARG 80 N -0.04 -0.14 -0.14 1.69 3.08 0.94 -2.22 114.38 117.55 1wim h ARG 80 Ca 0.31 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.41 1wim h ARG 80 Cb 0.51 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 1wim h ARG 80 CO -0.69 -0.10 -0.39 -0.92 -1.07 0.00 0.00 179.97 176.80 1wim h TYR 81 N -0.15 -1.10 -0.84 3.04 3.20 -1.05 -1.02 116.97 119.05 1wim h TYR 81 Ca 0.16 0.05 0.21 0.00 3.14 0.00 0.00 58.73 62.29 1wim h TYR 81 Cb 0.40 0.50 -0.13 0.00 1.54 0.00 0.00 36.73 39.05 1wim h TYR 81 CO -0.39 -0.45 0.25 0.87 -1.64 0.00 0.00 178.16 176.80 1wim h LYS 82 N -0.45 0.26 -0.62 1.82 1.57 -0.89 0.17 116.57 118.43 1wim h LYS 82 Ca 0.09 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1wim h LYS 82 Cb 0.60 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1wim h LYS 82 CO -0.39 0.17 0.31 -0.22 -0.57 0.00 0.00 179.45 178.75 1wim h LYS 83 N 0.27 0.56 -0.97 3.15 1.63 -0.63 -1.45 116.57 119.14 1wim h LYS 83 Ca 0.51 -0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.36 1wim h LYS 83 Cb 0.98 -0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.41 1wim h LYS 83 CO -0.59 0.37 0.61 -0.07 -3.45 0.00 0.00 179.45 176.33 1wim h LEU 84 N 0.57 0.96 0.25 5.20 3.38 -0.17 -2.64 115.31 122.86 1wim h LEU 84 Ca 0.29 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1wim h LEU 84 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1wim h LEU 84 CO -0.21 0.59 -0.12 1.56 0.09 0.00 0.00 178.44 180.35 1wim h GLN 85 N 1.08 -0.32 -0.84 1.13 1.08 -0.89 -3.19 115.11 113.16 1wim h GLN 85 Ca 0.43 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.79 1wim h GLN 85 Cb 0.24 0.07 -0.14 0.00 -0.05 0.00 0.00 27.48 27.60 1wim h GLN 85 CO -0.19 -0.05 -0.36 0.35 -0.95 0.00 0.00 178.83 177.63 1wim h PHE 86 N -0.57 -0.98 -0.76 2.96 3.57 -0.98 0.65 116.94 120.82 1wim h PHE 86 Ca -0.03 0.09 0.15 0.00 3.53 0.00 0.00 57.97 61.71 1wim h PHE 86 Cb 0.41 0.56 -0.14 0.00 2.79 0.00 0.00 35.95 39.57 1wim h PHE 86 CO 0.00 -0.40 -0.20 0.39 -2.23 0.00 0.00 178.31 175.87 1wim n GLU 87 N -5.47 -0.08 -0.01 1.11 1.02 -1.07 -3.21 120.64 112.93 1wim n GLU 87 Ca 0.08 1.19 -0.01 0.00 -0.02 0.00 0.00 57.16 58.40 1wim n GLU 87 Cb 0.39 -1.78 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1wim n GLU 87 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wim n ARG 88 N -5.23 0.08 -1.02 3.49 1.74 0.34 -4.98 116.66 111.08 1wim n ARG 88 Ca 0.12 0.14 -0.34 0.00 -0.77 0.00 0.00 57.85 57.00 1wim n ARG 88 Cb 0.37 -0.75 -0.01 0.00 -1.02 0.00 0.00 32.46 31.05 1wim n ARG 88 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wim n SER 89 N -2.75 -1.49 0.00 0.55 2.88 0.20 -4.29 113.62 108.72 1wim n SER 89 Ca -0.02 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1wim n SER 89 Cb 0.07 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1wim n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wim n GLY 90 N 1.62 1.11 0.27 0.46 0.00 -1.26 -4.63 105.19 102.75 1wim n GLY 90 Ca 0.11 -0.49 0.16 0.00 0.00 0.00 0.00 46.02 45.80 1wim n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wim h PRO 91 N 0.00 0.00 -5.53 1.61 0.13 -1.95 -3.43 132.00 122.83 1wim h PRO 91 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1wim h PRO 91 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1wim h PRO 91 CO 0.00 0.06 -0.49 -1.12 -0.23 0.00 0.00 178.00 176.22 1wim s SER 92 N -5.82 6.29 0.54 1.44 0.01 -1.26 -5.08 113.70 109.82 1wim s SER 92 Ca 0.01 0.38 -0.20 0.00 1.31 0.00 0.00 55.95 57.44 1wim s SER 92 Cb 0.10 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 1wim s SER 92 CO 0.56 0.34 1.19 -0.55 0.41 0.00 0.00 173.24 175.19 1wim s SER 93 N -0.59 5.58 0.00 2.44 0.15 -1.26 -4.78 113.70 115.24 1wim s SER 93 Ca 0.13 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.13 1wim s SER 93 Cb -0.12 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1wim s SER 93 CO 0.02 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 173.75