#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwv s SER 2 N 0.00 0.78 0.44 1.61 0.01 -1.26 -5.15 113.70 110.14 1wwv s SER 2 Ca 0.00 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.26 1wwv s SER 2 Cb 0.00 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 1wwv s SER 2 CO 0.00 -0.22 0.84 -0.55 0.41 0.00 0.00 173.24 173.72 1wwv s SER 3 N 1.90 6.55 -0.96 2.44 0.15 -1.26 -5.03 113.70 117.49 1wwv s SER 3 Ca 0.01 1.28 -0.04 0.00 0.70 0.00 0.00 55.95 57.89 1wwv s SER 3 Cb -0.12 -2.38 0.24 0.00 -1.71 0.00 0.00 66.02 62.04 1wwv s SER 3 CO -0.04 -0.47 0.88 -0.83 1.20 0.00 0.00 173.24 173.99 1wwv s GLY 4 N -3.15 3.12 -1.47 9.45 0.00 -1.26 -4.76 107.32 109.26 1wwv s GLY 4 Ca 0.54 -3.83 -0.17 0.00 0.00 0.00 0.00 44.72 41.25 1wwv s GLY 4 CO 0.32 1.24 0.52 1.44 0.00 0.00 0.00 173.10 176.61 1wwv n SER 5 N 2.47 -2.19 -4.18 1.64 7.64 -1.26 -4.89 113.62 112.85 1wwv n SER 5 Ca 0.22 -0.81 -0.35 0.00 1.01 0.00 0.00 58.87 58.95 1wwv n SER 5 Cb 0.38 -1.88 -0.14 0.00 -1.01 0.00 0.00 64.21 61.56 1wwv n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wwv s SER 6 N -2.98 4.63 0.00 6.43 0.01 -1.26 -5.02 113.70 115.51 1wwv s SER 6 Ca 0.63 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1wwv s SER 6 Cb -0.36 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1wwv s SER 6 CO 0.77 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.83 1wwv n GLY 7 N 4.64 0.94 3.12 3.44 0.00 -1.26 -4.89 105.19 111.17 1wwv n GLY 7 Ca -0.15 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 1wwv n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wwv s MET 8 N -3.41 3.16 0.69 1.61 1.75 -1.26 -5.08 119.30 116.77 1wwv s MET 8 Ca 0.00 -3.09 -0.15 0.00 -1.25 0.00 0.00 55.69 51.20 1wwv s MET 8 Cb 0.00 -3.94 0.02 0.00 2.84 0.00 0.00 34.83 33.74 1wwv s MET 8 CO 0.00 -1.25 1.14 -1.83 -0.65 0.00 0.00 175.02 172.44 1wwv s GLU 9 N -1.01 2.53 0.45 4.11 -1.05 -1.26 -4.99 118.70 117.48 1wwv s GLU 9 Ca 0.25 1.52 -0.23 0.00 -0.15 0.00 0.00 54.97 56.36 1wwv s GLU 9 Cb -0.10 -1.90 -0.07 0.00 -0.44 0.00 0.00 34.13 31.61 1wwv s GLU 9 CO -0.10 -1.48 1.17 -1.25 0.95 0.00 0.00 175.26 174.54 1wwv s PRO 10 N -4.04 3.78 0.36 -4.83 0.04 -1.26 -4.94 135.00 124.11 1wwv s PRO 10 Ca 0.69 1.79 0.14 0.00 0.04 0.00 0.00 61.00 63.66 1wwv s PRO 10 Cb -0.24 -2.43 0.70 0.00 0.04 0.00 0.00 34.50 32.57 1wwv s PRO 10 CO 0.43 -0.54 1.79 0.28 0.04 0.00 0.00 177.00 179.00 1wwv h VAL 11 N 1.91 1.20 0.00 -0.36 2.07 -1.90 -2.47 116.25 116.71 1wwv h VAL 11 Ca -0.49 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1wwv h VAL 11 Cb 1.25 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1wwv h VAL 11 CO 0.60 0.39 0.00 -1.84 0.02 0.00 0.00 177.57 176.75 1wwv n GLU 12 N -3.94 0.08 -0.02 1.57 0.28 -1.26 -1.40 120.64 115.95 1wwv n GLU 12 Ca -0.02 0.56 0.02 0.00 -0.16 0.00 0.00 57.16 57.56 1wwv n GLU 12 Cb 0.45 -1.76 -0.09 0.00 1.43 0.00 0.00 31.44 31.47 1wwv n GLU 12 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1wwv n THR 13 N -1.94 0.28 -1.11 3.84 -2.24 -0.95 -2.60 114.28 109.56 1wwv n THR 13 Ca -0.00 -0.34 -0.37 0.00 -2.27 0.00 0.00 64.05 61.07 1wwv n THR 13 Cb 0.04 -0.12 0.05 0.00 -2.10 0.00 0.00 70.33 68.20 1wwv n THR 13 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1wwv n TRP 14 N -2.09 -3.01 -2.98 4.78 7.02 -0.49 -4.80 117.44 115.87 1wwv n TRP 14 Ca -0.08 0.23 -0.27 0.00 -1.02 0.00 0.00 57.50 56.36 1wwv n TRP 14 Cb 0.51 -1.67 -0.01 0.00 -2.42 0.00 0.00 31.31 27.72 1wwv n TRP 14 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1wwv s THR 15 N -2.02 4.97 -2.00 -0.99 -4.23 -1.26 -2.24 115.64 107.87 1wwv s THR 15 Ca 0.53 0.05 0.11 0.00 -1.18 0.00 0.00 61.69 61.20 1wwv s THR 15 Cb -0.31 -3.82 0.30 0.00 1.34 0.00 0.00 72.50 70.01 1wwv s THR 15 CO 0.70 -0.64 1.07 -0.81 -0.54 0.00 0.00 174.62 174.40 1wwv n PRO 16 N -1.78 0.48 -0.01 3.99 -0.04 -1.26 -2.20 135.00 134.20 1wwv n PRO 16 Ca -0.01 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1wwv n PRO 16 Cb 0.55 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.54 1wwv n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wwv n GLY 17 N -0.03 -0.74 0.14 0.55 0.00 -1.26 -4.13 105.19 99.72 1wwv n GLY 17 Ca 0.08 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1wwv n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wwv n LYS 18 N -1.94 0.75 -0.30 1.61 5.02 -0.93 -4.28 118.16 118.09 1wwv n LYS 18 Ca -0.02 0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.60 1wwv n LYS 18 Cb 0.41 -1.70 0.18 0.00 -0.02 0.00 0.00 35.03 33.90 1wwv n LYS 18 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wwv h VAL 19 N 0.06 0.18 -1.21 -0.18 2.07 -1.78 0.67 116.25 116.06 1wwv h VAL 19 Ca -0.43 -0.02 0.36 0.00 0.82 0.00 0.00 66.70 67.43 1wwv h VAL 19 Cb 2.03 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.83 1wwv h VAL 19 CO 0.08 0.01 0.79 0.00 0.02 0.00 0.00 177.57 178.47 1wwv h ALA 20 N 1.84 2.60 -0.01 1.67 0.00 -1.81 0.96 119.26 124.51 1wwv h ALA 20 Ca 0.47 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 55.25 1wwv h ALA 20 Cb 0.83 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1wwv h ALA 20 CO -0.82 -1.10 -0.85 1.15 0.00 0.00 0.00 179.25 177.63 1wwv h THR 21 N 0.20 1.46 0.00 0.00 2.02 0.11 -1.83 112.91 114.87 1wwv h THR 21 Ca 0.70 -2.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 1wwv h THR 21 Cb 2.13 2.39 -0.00 0.00 -1.74 0.00 0.00 68.15 70.93 1wwv h THR 21 CO -0.31 0.73 -0.03 -0.25 0.37 0.00 0.00 175.52 176.03 1wwv h TRP 22 N 0.15 0.00 0.16 3.16 7.01 0.96 -3.03 115.95 124.37 1wwv h TRP 22 Ca -0.05 0.00 -0.33 0.00 2.11 0.00 0.00 58.89 60.62 1wwv h TRP 22 Cb 1.47 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.53 1wwv h TRP 22 CO 0.04 0.02 -1.70 -0.07 -2.79 0.00 0.00 178.44 173.93 1wwv h LEU 23 N 0.00 0.53 -1.39 0.65 3.38 -0.32 -3.17 115.31 115.00 1wwv h LEU 23 Ca -0.00 -0.92 -0.06 0.00 0.09 0.00 0.00 57.88 56.99 1wwv h LEU 23 Cb 1.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1wwv h LEU 23 CO 0.00 1.76 -0.31 0.08 0.09 0.00 0.00 178.44 180.06 1wwv h ARG 24 N -0.01 0.00 0.03 1.13 -0.00 -1.41 -2.96 114.38 111.17 1wwv h ARG 24 Ca -0.35 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.37 1wwv h ARG 24 Cb 2.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 31.99 1wwv h ARG 24 CO 0.14 0.31 -1.06 0.78 -0.00 0.00 0.00 179.97 180.13 1wwv h GLY 25 N 1.04 0.63 -0.97 0.08 0.00 -1.65 -3.32 103.07 98.87 1wwv h GLY 25 Ca -0.00 -1.16 0.18 0.00 0.00 0.00 0.00 47.33 46.34 1wwv h GLY 25 CO 0.04 1.03 -0.30 1.04 0.00 0.00 0.00 176.54 178.35 1wwv n LEU 26 N -3.78 -0.47 -3.59 3.11 4.77 -1.12 -4.77 117.00 111.15 1wwv n LEU 26 Ca -0.10 1.68 -0.04 0.00 -0.03 0.00 0.00 56.01 57.52 1wwv n LEU 26 Cb 0.90 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1wwv n LEU 26 CO 0.55 -1.57 0.94 -1.81 -1.33 0.00 0.00 177.39 174.17 1wwv s ASP 27 N -5.29 -0.17 0.13 -1.43 1.01 -1.25 -5.04 116.67 104.63 1wwv s ASP 27 Ca -0.14 -0.05 -0.10 0.00 0.71 0.00 0.00 52.55 52.97 1wwv s ASP 27 Cb 0.23 0.21 -0.08 0.00 1.01 0.00 0.00 42.92 44.29 1wwv s ASP 27 CO 0.73 -0.35 1.38 -2.24 0.21 0.00 0.00 175.17 174.89 1wwv h ASP 28 N 2.00 0.90 -0.01 0.27 3.04 -1.86 -2.50 116.42 118.26 1wwv h ASP 28 Ca -0.16 -0.53 0.00 0.00 -3.24 0.00 0.00 57.03 53.10 1wwv h ASP 28 Cb 1.19 -0.26 -0.00 0.00 -1.04 0.00 0.00 39.33 39.22 1wwv h ASP 28 CO 0.25 1.32 0.43 0.28 -2.04 0.00 0.00 179.24 179.48 1wwv h SER 29 N 0.57 0.00 0.00 4.15 0.02 -1.96 0.39 113.55 116.72 1wwv h SER 29 Ca -0.02 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1wwv h SER 29 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1wwv h SER 29 CO 0.14 0.00 -1.79 0.18 -1.14 0.00 0.00 176.83 174.21 1wwv n LEU 30 N -2.85 0.00 0.19 5.07 4.77 -1.14 -4.38 117.00 118.67 1wwv n LEU 30 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 1wwv n LEU 30 Cb 0.47 0.09 0.53 0.00 -2.33 0.00 0.00 43.42 42.18 1wwv n LEU 30 CO 0.12 0.09 0.87 1.56 -1.33 0.00 0.00 177.39 178.70 1wwv h GLN 31 N 0.00 0.00 -0.05 3.23 4.20 0.24 -0.51 115.11 122.22 1wwv h GLN 31 Ca -0.10 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1wwv h GLN 31 Cb 1.03 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.81 1wwv h GLN 31 CO 0.01 0.00 -0.33 0.22 -0.67 0.00 0.00 178.83 178.06 1wwv h ASP 32 N 0.00 0.37 -2.42 1.46 3.58 -1.76 -3.46 116.42 114.19 1wwv h ASP 32 Ca 0.00 -0.68 -0.61 0.00 0.42 0.00 0.00 57.03 56.16 1wwv h ASP 32 Cb 0.38 -0.11 0.10 0.00 1.72 0.00 0.00 39.33 41.42 1wwv h ASP 32 CO 0.00 0.99 0.27 -1.22 -2.88 0.00 0.00 179.24 176.41 1wwv n TYR 33 N -4.43 1.50 -2.07 0.28 4.01 -0.20 -4.79 117.16 111.46 1wwv n TYR 33 Ca -0.09 0.64 -0.28 0.00 -0.16 0.00 0.00 57.90 58.01 1wwv n TYR 33 Cb 0.51 -2.30 -0.06 0.00 -0.31 0.00 0.00 39.34 37.18 1wwv n TYR 33 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wwv s PRO 34 N -1.07 2.49 0.01 -0.72 0.04 -1.26 -4.74 135.00 129.74 1wwv s PRO 34 Ca 0.64 -1.19 -0.24 0.00 0.04 0.00 0.00 61.00 60.25 1wwv s PRO 34 Cb -0.72 -5.25 -0.18 0.00 0.04 0.00 0.00 34.50 28.39 1wwv s PRO 34 CO 0.56 -4.01 1.37 0.74 0.04 0.00 0.00 177.00 175.71 1wwv h PHE 35 N 9.69 0.07 -0.24 0.56 0.04 -1.91 -0.87 116.94 124.29 1wwv h PHE 35 Ca 0.22 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.04 1wwv h PHE 35 Cb 0.94 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 1wwv h PHE 35 CO 1.21 0.44 0.49 0.93 -0.60 0.00 0.00 178.31 180.78 1wwv h GLU 36 N -0.32 0.00 0.04 1.51 5.08 -1.92 0.17 114.58 119.14 1wwv h GLU 36 Ca 0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1wwv h GLU 36 Cb 0.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1wwv h GLU 36 CO 0.00 0.00 -2.13 -3.47 -1.00 0.00 0.00 179.01 172.41 1wwv n ASP 37 N -3.22 1.30 -0.42 1.42 -0.08 -1.06 -4.22 116.55 110.27 1wwv n ASP 37 Ca 0.04 0.13 0.36 0.00 -1.51 0.00 0.00 54.79 53.81 1wwv n ASP 37 Cb 0.60 -0.14 0.68 0.00 2.34 0.00 0.00 41.12 44.61 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1wwv h TRP 38 N 0.02 0.28 -6.33 -0.67 4.06 0.80 -3.43 115.95 110.67 1wwv h TRP 38 Ca -0.45 0.01 -0.46 0.00 2.06 0.00 0.00 58.89 60.05 1wwv h TRP 38 Cb 2.05 -0.08 -0.28 0.00 -1.00 0.00 0.00 29.16 29.85 1wwv h TRP 38 CO 0.03 -0.04 -0.66 1.04 -3.56 0.00 0.00 178.44 175.25 1wwv n GLN 39 N -4.37 -1.12 -3.14 0.49 6.02 -1.18 -4.84 117.38 109.23 1wwv n GLN 39 Ca 0.32 0.10 -0.40 0.00 -0.01 0.00 0.00 57.00 57.01 1wwv n GLN 39 Cb 1.34 -4.16 -0.06 0.00 1.02 0.00 0.00 30.24 28.38 1wwv n GLN 39 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wwv s LEU 40 N -6.16 4.10 0.73 1.08 2.96 -1.26 -4.85 118.68 115.28 1wwv s LEU 40 Ca 0.61 0.74 -0.12 0.00 -0.22 0.00 0.00 54.13 55.13 1wwv s LEU 40 Cb -0.35 -2.84 0.03 0.00 0.50 0.00 0.00 46.19 43.54 1wwv s LEU 40 CO 0.74 -0.30 1.10 -2.16 -1.32 0.00 0.00 176.35 174.41 1wwv s PRO 41 N 2.15 2.46 0.11 0.98 0.04 -1.26 -4.14 135.00 135.35 1wwv s PRO 41 Ca 0.26 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.33 1wwv s PRO 41 Cb -0.16 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1wwv s PRO 41 CO 0.09 -1.49 1.69 0.78 0.04 0.00 0.00 177.00 178.11 1wwv h GLY 42 N -0.69 -0.08 -1.32 0.56 0.00 -1.62 -1.34 103.07 98.58 1wwv h GLY 42 Ca -0.45 0.12 0.48 0.00 0.00 0.00 0.00 47.33 47.47 1wwv h GLY 42 CO 0.52 -0.11 1.11 0.07 0.00 0.00 0.00 176.54 178.14 1wwv h LYS 43 N -0.15 0.04 0.00 4.80 2.10 -1.58 1.91 116.57 123.68 1wwv h LYS 43 Ca 0.05 -0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.55 1wwv h LYS 43 Cb 0.22 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 1wwv h LYS 43 CO -0.13 0.02 -1.38 0.09 -2.00 0.00 0.00 179.45 176.06 1wwv n ASN 44 N -4.24 0.85 0.01 7.07 3.02 -0.68 -3.47 115.26 117.81 1wwv n ASN 44 Ca 0.38 0.37 -0.02 0.00 -0.03 0.00 0.00 54.58 55.27 1wwv n ASN 44 Cb 1.65 0.21 0.24 0.00 -0.61 0.00 0.00 39.78 41.27 1wwv n ASN 44 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wwv h LEU 45 N 0.00 0.48 0.00 3.41 5.85 0.40 -1.11 115.31 124.34 1wwv h LEU 45 Ca -0.15 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1wwv h LEU 45 Cb 1.52 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1wwv h LEU 45 CO 0.04 0.66 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.23 1wwv h LEU 46 N 0.45 0.00 -3.37 2.25 3.38 -1.42 -3.28 115.31 113.31 1wwv h LEU 46 Ca 0.08 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1wwv h LEU 46 Cb 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1wwv h LEU 46 CO 0.03 0.06 0.03 0.00 0.09 0.00 0.00 178.44 178.65 1wwv n GLN 47 N -2.36 2.84 -1.03 1.13 1.13 -0.93 -4.97 117.38 113.19 1wwv n GLN 47 Ca 0.03 -2.97 -0.29 0.00 -1.94 0.00 0.00 57.00 51.83 1wwv n GLN 47 Cb 0.47 -1.91 0.22 0.00 0.11 0.00 0.00 30.24 29.12 1wwv n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wwv s LEU 48 N -2.96 0.94 0.10 1.08 1.43 -0.46 -4.98 118.68 113.83 1wwv s LEU 48 Ca 0.45 0.93 -0.25 0.00 -1.03 0.00 0.00 54.13 54.24 1wwv s LEU 48 Cb 0.38 -2.84 0.08 0.00 0.03 0.00 0.00 46.19 43.83 1wwv s LEU 48 CO 0.08 -3.82 0.73 0.00 0.23 0.00 0.00 176.35 173.57 1wwv n PRO 50 N -0.34 0.14 0.04 0.00 -0.04 -1.26 -1.75 135.00 131.79 1wwv n PRO 50 Ca -0.13 0.38 0.01 0.00 -0.04 0.00 0.00 63.50 63.72 1wwv n PRO 50 Cb 0.63 -1.77 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 1wwv n PRO 50 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1wwv h GLN 51 N 0.00 0.00 0.00 0.54 7.50 -1.97 -3.37 115.11 117.82 1wwv h GLN 51 Ca 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.04 1wwv h GLN 51 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 1wwv h GLN 51 CO 0.00 0.30 -0.84 0.66 -1.50 0.00 0.00 178.83 177.45 1wwv h SER 52 N 0.00 0.00 -0.84 1.46 4.64 -1.87 -3.38 113.55 113.56 1wwv h SER 52 Ca -0.14 -0.25 0.31 0.00 -0.47 0.00 0.00 61.79 61.25 1wwv h SER 52 Cb 1.55 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.48 1wwv h SER 52 CO 0.05 1.09 0.32 0.18 -0.87 0.00 0.00 176.83 177.59 1wwv n LEU 53 N -4.54 0.17 -0.26 5.97 4.77 -0.72 0.11 117.00 122.50 1wwv n LEU 53 Ca -0.19 1.40 0.05 0.00 -0.03 0.00 0.00 56.01 57.25 1wwv n LEU 53 Cb 0.45 -0.63 0.15 0.00 -2.33 0.00 0.00 43.42 41.06 1wwv n LEU 53 CO 0.14 -1.52 0.80 -0.33 -1.33 0.00 0.00 177.39 175.15 1wwv h GLU 54 N 0.00 0.07 -0.97 3.23 5.08 -1.71 0.57 114.58 120.86 1wwv h GLU 54 Ca 0.65 -0.00 0.24 0.00 -1.00 0.00 0.00 59.36 59.25 1wwv h GLU 54 Cb 1.63 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.79 1wwv h GLU 54 CO -0.69 0.05 0.65 0.00 -1.00 0.00 0.00 179.01 178.01 1wwv h ALA 55 N 1.73 2.38 -0.15 3.43 0.00 0.53 0.59 119.26 127.77 1wwv h ALA 55 Ca 0.41 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1wwv h ALA 55 Cb 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1wwv h ALA 55 CO -0.70 -0.70 0.05 1.28 0.00 0.00 0.00 179.25 179.18 1wwv n LEU 56 N -4.48 2.64 -1.63 0.00 4.77 0.20 -4.79 117.00 113.70 1wwv n LEU 56 Ca 0.21 -1.35 -0.13 0.00 -0.03 0.00 0.00 56.01 54.72 1wwv n LEU 56 Cb 0.84 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1wwv n LEU 56 CO 0.31 0.43 -0.13 0.00 -1.33 0.00 0.00 177.39 176.68 1wwv n ALA 57 N 0.14 -0.45 -3.39 -1.18 0.00 0.20 -4.96 120.51 110.88 1wwv n ALA 57 Ca 0.08 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1wwv n ALA 57 Cb 0.55 -1.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 1wwv n ALA 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wwv n VAL 58 N -4.02 2.84 0.00 0.00 0.31 -1.03 -4.84 118.33 111.60 1wwv n VAL 58 Ca -0.14 -5.32 -0.21 0.00 -0.01 0.00 0.00 64.34 58.66 1wwv n VAL 58 Cb 0.61 -2.11 -0.14 0.00 -0.91 0.00 0.00 33.84 31.29 1wwv n VAL 58 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1wwv h ARG 59 N 4.50 0.23 -6.27 5.55 -0.00 -1.85 -3.16 114.38 113.37 1wwv h ARG 59 Ca 0.20 -0.39 -0.61 0.00 -0.50 0.00 0.00 59.98 58.68 1wwv h ARG 59 Cb 0.66 0.14 0.15 0.00 0.00 0.00 0.00 29.97 30.92 1wwv h ARG 59 CO 0.91 1.19 -0.47 0.45 0.00 0.00 0.00 179.97 182.05 1wwv n SER 60 N -4.01 -1.14 -0.07 7.04 2.88 -1.26 -4.93 113.62 112.14 1wwv n SER 60 Ca -0.23 0.91 -0.12 0.00 -1.33 0.00 0.00 58.87 58.10 1wwv n SER 60 Cb 0.86 -1.08 -0.10 0.00 -0.75 0.00 0.00 64.21 63.14 1wwv n SER 60 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1wwv h LEU 61 N 0.76 0.00 -0.98 2.46 7.12 -1.99 -3.24 115.31 119.44 1wwv h LEU 61 Ca -0.39 -0.73 0.23 0.00 0.13 0.00 0.00 57.88 57.12 1wwv h LEU 61 Cb 1.41 0.00 -0.18 0.00 -0.53 0.00 0.00 40.66 41.35 1wwv h LEU 61 CO 0.51 0.94 -0.13 1.23 -0.13 0.00 0.00 178.44 180.86 1wwv h GLY 62 N -1.00 0.93 1.06 3.75 0.00 -2.00 0.79 103.07 106.60 1wwv h GLY 62 Ca -0.03 0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 1wwv h GLY 62 CO -0.02 -0.43 0.22 0.45 0.00 0.00 0.00 176.54 176.76 1wwv h HIS 63 N 0.00 1.21 -0.35 5.60 3.86 -1.96 -2.36 115.15 121.14 1wwv h HIS 63 Ca 0.52 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.59 1wwv h HIS 63 Cb 0.93 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 1wwv h HIS 63 CO -0.65 0.95 0.15 1.96 0.86 0.00 0.00 177.93 181.20 1wwv h GLN 64 N 1.11 0.52 -1.00 2.45 4.20 0.43 -2.77 115.11 120.05 1wwv h GLN 64 Ca 0.24 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.88 1wwv h GLN 64 Cb 0.32 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 1wwv h GLN 64 CO -0.01 0.50 0.66 0.93 -0.67 0.00 0.00 178.83 180.25 1wwv h GLU 65 N 0.42 1.28 0.05 1.46 4.39 -0.61 0.19 114.58 121.75 1wwv h GLU 65 Ca 0.12 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1wwv h GLU 65 Cb 0.17 -0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1wwv h GLU 65 CO -0.01 0.84 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.44 1wwv h LEU 66 N 1.32 -0.51 0.02 1.33 3.38 -1.16 -0.35 115.31 119.33 1wwv h LEU 66 Ca 0.38 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1wwv h LEU 66 Cb -0.08 0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wwv h LEU 66 CO -0.10 -0.25 -0.01 0.40 0.09 0.00 0.00 178.44 178.57 1wwv h ILE 67 N -0.32 0.00 -0.83 1.22 2.04 -1.26 -3.16 117.51 115.21 1wwv h ILE 67 Ca 0.04 -0.04 0.33 0.00 1.00 0.00 0.00 64.86 66.19 1wwv h ILE 67 Cb 0.36 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.29 1wwv h ILE 67 CO -0.14 0.00 0.40 0.18 0.00 0.00 0.00 178.15 178.59 1wwv n LEU 68 N -2.19 0.25 0.11 1.44 4.77 0.63 0.86 117.00 122.87 1wwv n LEU 68 Ca -0.00 1.38 -0.13 0.00 -0.03 0.00 0.00 56.01 57.22 1wwv n LEU 68 Cb 0.01 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.38 1wwv n LEU 68 CO 0.01 -1.53 0.80 1.23 -1.33 0.00 0.00 177.39 176.57 1wwv h GLY 69 N 0.00 -0.24 1.37 -0.72 0.00 -1.14 -2.38 103.07 99.96 1wwv h GLY 69 Ca 0.68 0.11 -0.07 0.00 0.00 0.00 0.00 47.33 48.05 1wwv h GLY 69 CO -0.65 -0.10 -0.02 -1.33 0.00 0.00 0.00 176.54 174.43 1wwv h GLY 70 N -0.24 0.83 0.75 4.60 0.00 0.50 -2.91 103.07 106.59 1wwv h GLY 70 Ca -0.01 -0.56 0.06 0.00 0.00 0.00 0.00 47.33 46.82 1wwv h GLY 70 CO 0.00 0.52 0.56 -2.08 0.00 0.00 0.00 176.54 175.54 1wwv h VAL 71 N 0.72 1.07 -0.96 4.60 2.07 -0.99 -1.44 116.25 121.31 1wwv h VAL 71 Ca 0.14 -0.35 0.22 0.00 0.82 0.00 0.00 66.70 67.53 1wwv h VAL 71 Cb 0.47 -0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.11 1wwv h VAL 71 CO 0.02 0.19 0.62 -0.33 0.02 0.00 0.00 177.57 178.09 1wwv h GLU 72 N 1.02 0.45 -0.11 1.57 5.08 -1.22 0.23 114.58 121.60 1wwv h GLU 72 Ca 0.38 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.53 1wwv h GLU 72 Cb 0.14 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1wwv h GLU 72 CO -0.16 0.30 -0.69 1.96 -1.00 0.00 0.00 179.01 179.42 1wwv h GLN 73 N 0.46 0.48 0.24 2.33 1.08 -1.36 -3.30 115.11 115.04 1wwv h GLN 73 Ca 0.52 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1wwv h GLN 73 Cb 1.23 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1wwv h GLN 73 CO -0.24 0.99 -0.12 -0.07 -0.95 0.00 0.00 178.83 178.45 1wwv h LEU 74 N 0.34 -0.27 -1.56 1.46 3.38 -0.42 -2.84 115.31 115.39 1wwv h LEU 74 Ca -0.02 -0.20 0.36 0.00 0.09 0.00 0.00 57.88 58.10 1wwv h LEU 74 Cb 1.26 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 1wwv h LEU 74 CO 0.12 0.07 1.13 1.56 0.09 0.00 0.00 178.44 181.42 1wwv h GLN 75 N -0.65 0.00 0.06 1.13 4.20 -1.21 0.22 115.11 118.85 1wwv h GLN 75 Ca -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wwv h GLN 75 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1wwv h GLN 75 CO 0.05 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.19 1wwv h ALA 76 N 0.90 -0.20 -0.91 3.87 0.00 -1.58 -1.36 119.26 119.98 1wwv h ALA 76 Ca 0.59 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.67 1wwv h ALA 76 Cb 2.84 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 20.59 1wwv h ALA 76 CO -0.01 -0.19 0.59 1.37 0.00 0.00 0.00 179.25 181.01 1wwv h LEU 77 N -0.33 0.50 0.16 0.00 8.10 -1.11 -2.10 115.31 120.53 1wwv h LEU 77 Ca -0.01 0.05 -0.01 0.00 0.11 0.00 0.00 57.88 58.02 1wwv h LEU 77 Cb 0.06 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1wwv h LEU 77 CO 0.01 0.21 -0.08 -1.28 -4.11 0.00 0.00 178.44 173.20 1wwv h SER 78 N 0.51 -0.18 -1.51 0.17 0.87 -0.75 -3.40 113.55 109.26 1wwv h SER 78 Ca 0.47 -0.35 -0.53 0.00 -1.23 0.00 0.00 61.79 60.15 1wwv h SER 78 Cb 1.03 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.96 1wwv h SER 78 CO -0.21 0.33 1.25 -0.44 -0.53 0.00 0.00 176.83 177.22 1wwv s SER 79 N -5.44 6.09 0.37 6.23 0.01 -0.51 -4.80 113.70 115.65 1wwv s SER 79 Ca -0.14 -0.88 0.07 0.00 1.31 0.00 0.00 55.95 56.32 1wwv s SER 79 Cb 0.01 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1wwv s SER 79 CO 0.53 -1.86 0.46 -0.13 0.41 0.00 0.00 173.24 172.65 1wwv s ARG 80 N 5.69 2.89 -0.45 12.44 0.52 -1.26 -4.77 118.95 134.00 1wwv s ARG 80 Ca 0.48 -1.20 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 1wwv s ARG 80 Cb -0.05 -2.69 0.08 0.00 0.52 0.00 0.00 34.95 32.82 1wwv s ARG 80 CO 0.02 -0.07 0.34 -1.17 0.02 0.00 0.00 175.30 174.44 1wwv s LEU 81 N -4.19 5.48 -1.45 2.53 2.96 -1.26 -4.66 118.68 118.09 1wwv s LEU 81 Ca 0.48 -1.50 -0.08 0.00 -0.22 0.00 0.00 54.13 52.81 1wwv s LEU 81 Cb -0.08 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.53 1wwv s LEU 81 CO 0.30 -0.62 0.15 0.00 -1.32 0.00 0.00 176.35 174.86 1wwv n GLN 82 N 5.06 -0.77 0.17 1.98 1.13 -1.26 -4.81 117.38 118.87 1wwv n GLN 82 Ca -0.11 0.08 0.02 0.00 -1.94 0.00 0.00 57.00 55.05 1wwv n GLN 82 Cb 0.43 -3.25 0.27 0.00 0.11 0.00 0.00 30.24 27.80 1wwv n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wwv h THR 83 N -1.93 1.18 -0.79 5.09 1.03 -1.83 -2.98 112.91 112.68 1wwv h THR 83 Ca -0.66 -1.75 0.19 0.00 -0.01 0.00 0.00 66.41 64.18 1wwv h THR 83 Cb 1.38 1.99 -0.13 0.00 -1.07 0.00 0.00 68.15 70.32 1wwv h THR 83 CO 0.65 0.47 0.13 -0.08 -0.01 0.00 0.00 175.52 176.69 1wwv h GLU 84 N 0.00 0.18 0.00 0.00 4.57 -1.98 -2.80 114.58 114.56 1wwv h GLU 84 Ca -0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1wwv h GLU 84 Cb 0.95 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1wwv h GLU 84 CO 0.06 0.12 -0.22 -2.95 -1.18 0.00 0.00 179.01 174.84 1wwv h ASN 85 N 0.19 0.00 -4.05 1.04 -1.07 -1.93 -3.48 115.58 106.27 1wwv h ASN 85 Ca 0.46 -0.45 -0.06 0.00 0.07 0.00 0.00 56.30 56.31 1wwv h ASN 85 Cb 0.85 0.00 -0.22 0.00 -2.07 0.00 0.00 38.32 36.88 1wwv h ASN 85 CO -0.62 0.85 0.03 -0.55 0.07 0.00 0.00 177.43 177.22 1wwv s SER 86 N -6.00 -0.65 0.00 6.14 0.15 -1.06 -5.18 113.70 107.10 1wwv s SER 86 Ca -0.13 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1wwv s SER 86 Cb -0.00 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.54 1wwv s SER 86 CO 0.37 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1wwv n GLY 87 N 2.60 4.09 3.77 9.45 0.00 -1.26 -3.97 105.19 119.88 1wwv n GLY 87 Ca -0.14 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1wwv n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwv s PRO 88 N -2.00 3.07 -0.19 1.61 0.04 -1.26 -5.05 135.00 131.22 1wwv s PRO 88 Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1wwv s PRO 88 Cb 0.00 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1wwv s PRO 88 CO 0.00 -1.06 -0.17 0.45 0.04 0.00 0.00 177.00 176.26 1wwv s SER 89 N -2.20 3.35 -0.64 6.66 0.15 -1.26 -5.08 113.70 114.69 1wwv s SER 89 Ca 0.70 -0.64 -0.18 0.00 0.70 0.00 0.00 55.95 56.53 1wwv s SER 89 Cb -0.22 -1.52 0.12 0.00 -1.71 0.00 0.00 66.02 62.69 1wwv s SER 89 CO 0.35 -0.01 0.71 -0.44 1.20 0.00 0.00 173.24 175.05 1wwv s SER 90 N 1.31 6.28 0.00 5.45 0.01 -1.26 -5.38 113.70 120.12 1wwv s SER 90 Ca 0.05 -1.68 0.00 0.00 1.31 0.00 0.00 55.95 55.63 1wwv s SER 90 Cb -0.13 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1wwv s SER 90 CO -0.11 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.14