#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 4.42 -0.01 1.61 1.04 -1.26 -4.83 113.70 114.67 1wwv s SER 2 Ca 0.00 -0.85 -0.24 0.00 0.48 0.00 0.00 55.95 55.34 1wwv s SER 2 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.60 1wwv s SER 2 CO 0.00 -3.58 0.54 -0.94 0.98 0.00 0.00 173.24 170.24 1wwv s SER 3 N 8.38 -0.48 0.00 7.02 1.04 -1.26 -5.18 113.70 123.23 1wwv s SER 3 Ca 0.77 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1wwv s SER 3 Cb -0.06 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1wwv s SER 3 CO 0.09 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1wwv n GLY 4 N 0.82 1.25 3.22 7.32 0.00 -1.26 -5.16 105.19 111.39 1wwv n GLY 4 Ca -0.19 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.25 1wwv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wwv s SER 5 N 0.00 -0.55 -0.45 1.61 1.04 -1.26 -5.12 113.70 108.97 1wwv s SER 5 Ca 0.00 0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1wwv s SER 5 Cb 0.00 1.51 0.13 0.00 0.10 0.00 0.00 66.02 67.76 1wwv s SER 5 CO 0.00 -0.10 0.22 -0.55 0.98 0.00 0.00 173.24 173.79 1wwv s SER 6 N 2.75 3.97 0.00 7.02 0.15 -1.26 -5.00 113.70 121.33 1wwv s SER 6 Ca 0.01 -2.66 0.00 0.00 0.70 0.00 0.00 55.95 54.00 1wwv s SER 6 Cb -0.09 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1wwv s SER 6 CO -0.14 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1wwv n GLY 7 N 3.53 -1.78 3.55 9.45 0.00 -1.26 -4.78 105.19 113.89 1wwv n GLY 7 Ca 0.06 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 1wwv n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wwv n MET 8 N 1.09 0.77 -1.76 1.61 1.56 -1.26 -4.91 117.12 114.21 1wwv n MET 8 Ca 0.00 -1.97 -0.36 0.00 -0.27 0.00 0.00 57.70 55.10 1wwv n MET 8 Cb 0.00 -3.70 0.06 0.00 2.15 0.00 0.00 33.22 31.73 1wwv n MET 8 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1wwv s GLU 9 N 7.41 2.60 0.33 2.12 0.41 -1.26 -4.82 118.70 125.48 1wwv s GLU 9 Ca 0.74 1.90 -0.28 0.00 -0.41 0.00 0.00 54.97 56.92 1wwv s GLU 9 Cb -0.01 -1.87 -0.10 0.00 -1.78 0.00 0.00 34.13 30.37 1wwv s GLU 9 CO 0.18 -1.51 1.22 -1.25 -0.49 0.00 0.00 175.26 173.40 1wwv s PRO 10 N -3.50 4.39 0.62 0.39 0.04 -1.26 -4.90 135.00 130.78 1wwv s PRO 10 Ca 0.79 2.03 0.36 0.00 0.04 0.00 0.00 61.00 64.22 1wwv s PRO 10 Cb -0.33 -3.04 1.98 0.00 0.04 0.00 0.00 34.50 33.15 1wwv s PRO 10 CO 0.39 -0.09 2.11 0.28 0.04 0.00 0.00 177.00 179.73 1wwv h VAL 11 N 2.94 0.00 -0.02 -0.36 2.07 -1.89 0.76 116.25 119.74 1wwv h VAL 11 Ca -0.48 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.88 1wwv h VAL 11 Cb 1.22 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1wwv h VAL 11 CO 0.65 0.00 -0.71 1.05 0.02 0.00 0.00 177.57 178.59 1wwv h GLU 12 N 0.00 0.11 0.00 1.57 4.11 -1.91 -3.19 114.58 115.27 1wwv h GLU 12 Ca 0.00 -0.09 -0.16 0.00 0.07 0.00 0.00 59.36 59.17 1wwv h GLU 12 Cb 0.24 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1wwv h GLU 12 CO 0.00 0.77 -1.29 1.79 0.07 0.00 0.00 179.01 180.35 1wwv h THR 13 N 0.07 0.57 -1.99 -1.06 1.35 -1.20 0.69 112.91 111.34 1wwv h THR 13 Ca -0.01 -2.06 -0.54 0.00 -0.55 0.00 0.00 66.41 63.25 1wwv h THR 13 Cb 1.25 2.10 0.24 0.00 -1.73 0.00 0.00 68.15 70.01 1wwv h THR 13 CO 0.10 0.33 -1.86 0.79 -0.25 0.00 0.00 175.52 174.63 1wwv n TRP 14 N -2.94 -4.07 -3.77 4.73 7.02 -0.78 -4.79 117.44 112.83 1wwv n TRP 14 Ca -0.08 0.11 -0.22 0.00 -1.02 0.00 0.00 57.50 56.29 1wwv n TRP 14 Cb 0.83 -1.46 -0.02 0.00 -2.42 0.00 0.00 31.31 28.24 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 -2.05 5.21 -2.00 -0.99 -4.23 -1.26 -2.70 115.64 107.63 1wwv s THR 15 Ca 0.42 -0.78 0.11 0.00 -1.18 0.00 0.00 61.69 60.25 1wwv s THR 15 Cb -0.13 -3.85 0.30 0.00 1.34 0.00 0.00 72.50 70.16 1wwv s THR 15 CO 0.78 -0.38 1.07 -0.81 -0.54 0.00 0.00 174.62 174.74 1wwv n PRO 16 N -1.45 0.49 -0.01 3.99 -0.04 -1.26 -2.22 135.00 134.50 1wwv n PRO 16 Ca -0.07 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1wwv n PRO 16 Cb 0.56 -1.34 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.02 -0.76 0.13 0.55 0.00 -1.26 -4.20 105.19 99.63 1wwv n GLY 17 Ca 0.08 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.03 0.73 -0.23 1.61 5.02 -0.94 -4.35 118.16 117.98 1wwv n LYS 18 Ca -0.03 0.25 -0.04 0.00 -2.02 0.00 0.00 58.31 56.47 1wwv n LYS 18 Cb 0.43 -1.70 0.02 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.05 0.16 -1.42 -0.18 2.07 -1.78 0.42 116.25 115.58 1wwv h VAL 19 Ca -0.43 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.51 1wwv h VAL 19 Cb 2.02 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 1wwv h VAL 19 CO 0.07 0.00 1.25 0.00 0.02 0.00 0.00 177.57 178.91 1wwv n ALA 20 N -3.18 1.37 -0.03 1.67 0.00 -1.26 0.15 120.51 119.22 1wwv n ALA 20 Ca 0.05 0.47 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 1wwv n ALA 20 Cb 0.36 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 1wwv n ALA 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wwv h THR 21 N 0.00 1.59 -0.65 0.00 2.02 -0.41 -2.70 112.91 112.76 1wwv h THR 21 Ca 0.68 -2.07 -0.09 0.00 0.77 0.00 0.00 66.41 65.70 1wwv h THR 21 Cb 3.17 2.92 -0.02 0.00 -1.74 0.00 0.00 68.15 72.47 1wwv h THR 21 CO -0.01 0.56 0.06 -0.25 0.37 0.00 0.00 175.52 176.26 1wwv h TRP 22 N -0.58 1.19 -0.72 3.16 7.01 0.13 -1.71 115.95 124.43 1wwv h TRP 22 Ca -0.04 -0.18 -0.06 0.00 2.11 0.00 0.00 58.89 60.72 1wwv h TRP 22 Cb 1.06 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 27.77 1wwv h TRP 22 CO 0.20 1.01 0.22 -0.07 -2.79 0.00 0.00 178.44 177.02 1wwv h LEU 23 N 1.02 1.05 -0.88 0.65 3.38 -1.14 -1.16 115.31 118.22 1wwv h LEU 23 Ca 0.19 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1wwv h LEU 23 Cb 0.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1wwv h LEU 23 CO 0.02 0.98 -0.50 -0.09 0.09 0.00 0.00 178.44 178.94 1wwv h ARG 24 N 1.08 0.14 0.00 1.13 1.12 -1.27 -2.92 114.38 113.65 1wwv h ARG 24 Ca 0.23 -0.08 -0.05 0.00 -1.11 0.00 0.00 59.98 58.98 1wwv h ARG 24 Cb 0.30 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.26 1wwv h ARG 24 CO -0.01 0.61 -0.22 0.78 -3.11 0.00 0.00 179.97 178.02 1wwv h GLY 25 N 1.42 0.00 0.00 2.80 0.00 -0.88 -3.37 103.07 103.04 1wwv h GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wwv h GLY 25 CO 0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.65 1wwv n LEU 26 N -3.18 0.00 -4.14 3.11 4.77 -0.48 -4.87 117.00 112.22 1wwv n LEU 26 Ca 0.03 0.93 -0.12 0.00 -0.03 0.00 0.00 56.01 56.82 1wwv n LEU 26 Cb 0.59 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1wwv n LEU 26 CO 0.36 -0.43 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.27 1wwv s ASP 27 N -2.65 0.17 0.37 -1.43 2.15 -1.26 -5.05 116.67 108.97 1wwv s ASP 27 Ca 0.00 -1.27 0.23 0.00 0.43 0.00 0.00 52.55 51.94 1wwv s ASP 27 Cb 0.00 0.46 0.23 0.00 -0.30 0.00 0.00 42.92 43.31 1wwv s ASP 27 CO 0.00 -0.96 1.44 -2.24 -0.17 0.00 0.00 175.17 173.24 1wwv h ASP 28 N 2.47 0.00 1.30 -0.34 3.04 -1.89 -2.62 116.42 118.38 1wwv h ASP 28 Ca -0.32 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.47 1wwv h ASP 28 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1wwv h ASP 28 CO 0.46 0.01 -0.18 -1.20 -2.04 0.00 0.00 179.24 176.30 1wwv n SER 29 N -2.98 0.79 -0.07 4.15 7.64 -1.26 -3.70 113.62 118.19 1wwv n SER 29 Ca 0.03 0.44 -0.06 0.00 1.01 0.00 0.00 58.87 60.29 1wwv n SER 29 Cb 0.54 -0.52 -0.14 0.00 -1.01 0.00 0.00 64.21 63.08 1wwv n SER 29 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1wwv n LEU 30 N -2.23 0.00 0.32 -3.43 4.77 -1.21 -4.34 117.00 110.88 1wwv n LEU 30 Ca 0.05 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.18 1wwv n LEU 30 Cb 0.43 0.37 0.81 0.00 -2.33 0.00 0.00 43.42 42.71 1wwv n LEU 30 CO 0.32 0.37 1.11 0.06 -1.33 0.00 0.00 177.39 177.92 1wwv h GLN 31 N 0.00 0.00 0.17 3.23 3.07 -1.54 -1.28 115.11 118.75 1wwv h GLN 31 Ca -0.41 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.33 1wwv h GLN 31 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.46 1wwv h GLN 31 CO 0.02 0.00 -0.08 0.22 0.09 0.00 0.00 178.83 179.08 1wwv h ASP 32 N 0.00 -0.20 -1.86 0.06 3.58 -1.76 -3.45 116.42 112.80 1wwv h ASP 32 Ca 0.00 -0.24 -0.63 0.00 0.42 0.00 0.00 57.03 56.58 1wwv h ASP 32 Cb 0.61 0.05 0.11 0.00 1.72 0.00 0.00 39.33 41.82 1wwv h ASP 32 CO 0.00 0.14 -0.12 -1.22 -2.88 0.00 0.00 179.24 175.16 1wwv n TYR 33 N -5.05 0.58 -2.07 0.28 4.01 -0.49 -4.76 117.16 109.67 1wwv n TYR 33 Ca -0.09 0.81 -0.28 0.00 -0.16 0.00 0.00 57.90 58.18 1wwv n TYR 33 Cb 0.22 -2.14 -0.06 0.00 -0.31 0.00 0.00 39.34 37.06 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 -1.27 2.49 0.04 -0.72 0.04 -1.26 -4.74 135.00 129.59 1wwv s PRO 34 Ca 0.62 -1.12 -0.20 0.00 0.04 0.00 0.00 61.00 60.34 1wwv s PRO 34 Cb -0.80 -5.23 -0.14 0.00 0.04 0.00 0.00 34.50 28.37 1wwv s PRO 34 CO 0.58 -3.96 1.36 0.74 0.04 0.00 0.00 177.00 175.76 1wwv h PHE 35 N 9.81 0.44 0.00 0.56 0.04 -1.89 -2.75 116.94 123.16 1wwv h PHE 35 Ca 0.21 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1wwv h PHE 35 Cb 0.94 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1wwv h PHE 35 CO 1.21 0.74 0.09 -1.91 -0.60 0.00 0.00 178.31 177.84 1wwv n GLU 36 N -4.55 0.07 -0.39 1.51 2.13 -1.26 0.09 120.64 118.23 1wwv n GLU 36 Ca -0.06 0.54 0.06 0.00 0.66 0.00 0.00 57.16 58.36 1wwv n GLU 36 Cb 0.36 -1.82 0.19 0.00 0.27 0.00 0.00 31.44 30.44 1wwv n GLU 36 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1wwv n ASP 37 N -1.87 2.69 -0.07 4.31 8.00 -1.05 -4.60 116.55 123.96 1wwv n ASP 37 Ca -0.01 -3.32 -0.16 0.00 0.71 0.00 0.00 54.79 52.01 1wwv n ASP 37 Cb 0.10 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.55 1wwv n ASP 37 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1wwv n TRP 38 N -1.08 0.49 -3.79 1.24 7.02 0.11 -5.00 117.44 116.44 1wwv n TRP 38 Ca 0.21 0.12 -0.26 0.00 -1.02 0.00 0.00 57.50 56.55 1wwv n TRP 38 Cb 0.79 -1.07 0.04 0.00 -2.42 0.00 0.00 31.31 28.64 1wwv n TRP 38 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1wwv n GLN 39 N -3.20 -5.73 -3.59 -0.99 1.13 -1.26 -4.95 117.38 98.80 1wwv n GLN 39 Ca -0.36 0.65 -0.40 0.00 -1.94 0.00 0.00 57.00 54.95 1wwv n GLN 39 Cb 1.05 -5.47 -0.11 0.00 0.11 0.00 0.00 30.24 25.82 1wwv n GLN 39 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1wwv s LEU 40 N -7.07 4.41 0.73 1.08 2.96 -1.26 -4.95 118.68 114.57 1wwv s LEU 40 Ca 0.43 -0.56 -0.12 0.00 -0.22 0.00 0.00 54.13 53.66 1wwv s LEU 40 Cb -0.21 -2.07 0.03 0.00 0.50 0.00 0.00 46.19 44.44 1wwv s LEU 40 CO 0.81 -0.25 1.10 -2.16 -1.32 0.00 0.00 176.35 174.53 1wwv s PRO 41 N 1.66 2.47 0.09 0.98 0.04 -1.26 -4.11 135.00 134.85 1wwv s PRO 41 Ca 0.05 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 1wwv s PRO 41 Cb -0.18 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 1wwv s PRO 41 CO 0.08 -1.49 1.66 0.78 0.04 0.00 0.00 177.00 178.07 1wwv h GLY 42 N -0.68 -0.55 -1.04 0.56 0.00 -1.67 0.07 103.07 99.76 1wwv h GLY 42 Ca -0.45 0.24 0.42 0.00 0.00 0.00 0.00 47.33 47.54 1wwv h GLY 42 CO 0.52 -0.21 0.66 0.07 0.00 0.00 0.00 176.54 177.58 1wwv h LYS 43 N -0.53 0.05 0.09 4.80 2.10 0.33 1.05 116.57 124.47 1wwv h LYS 43 Ca -0.03 -0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.33 1wwv h LYS 43 Cb 0.44 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 1wwv h LYS 43 CO 0.03 0.03 -1.44 -0.91 -2.00 0.00 0.00 179.45 175.16 1wwv h ASN 44 N 0.05 0.31 -1.01 7.07 2.35 -1.72 -3.27 115.58 119.36 1wwv h ASN 44 Ca 0.84 -0.41 0.25 0.00 -0.55 0.00 0.00 56.30 56.43 1wwv h ASN 44 Cb 2.35 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 40.50 1wwv h ASN 44 CO -0.64 1.34 0.61 0.25 -1.65 0.00 0.00 177.43 177.34 1wwv h LEU 45 N 0.05 0.63 0.00 1.61 5.85 0.32 1.05 115.31 124.82 1wwv h LEU 45 Ca -0.20 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1wwv h LEU 45 Cb 1.98 0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.04 1wwv h LEU 45 CO 0.16 0.10 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.96 1wwv h LEU 46 N 0.54 0.00 -2.08 2.25 -0.00 -1.55 -3.21 115.31 111.26 1wwv h LEU 46 Ca 0.64 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.43 1wwv h LEU 46 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1wwv h LEU 46 CO -0.44 0.04 0.00 0.00 -0.00 0.00 0.00 178.44 178.04 1wwv n GLN 47 N -2.32 2.35 -0.45 1.13 6.02 0.30 -4.99 117.38 119.42 1wwv n GLN 47 Ca 0.04 -2.05 -0.24 0.00 -0.01 0.00 0.00 57.00 54.74 1wwv n GLN 47 Cb 0.45 -1.47 0.20 0.00 1.02 0.00 0.00 30.24 30.44 1wwv n GLN 47 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wwv n LEU 48 N 1.38 -1.19 -3.47 1.08 4.77 0.21 -5.03 117.00 114.75 1wwv n LEU 48 Ca 0.16 -0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 1wwv n LEU 48 Cb 0.59 -0.89 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1wwv n LEU 48 CO 0.15 -3.64 0.40 0.00 -1.33 0.00 0.00 177.39 172.97 1wwv h PRO 50 N 2.01 0.00 0.08 0.00 0.13 -1.97 -1.82 132.00 130.43 1wwv h PRO 50 Ca -0.32 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.49 1wwv h PRO 50 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1wwv h PRO 50 CO 0.37 0.01 -1.71 0.37 -0.23 0.00 0.00 178.00 176.82 1wwv h GLN 51 N 0.00 0.18 -0.52 0.86 5.75 -1.96 -3.38 115.11 116.04 1wwv h GLN 51 Ca -0.00 -0.30 -0.08 0.00 -0.15 0.00 0.00 58.65 58.12 1wwv h GLN 51 Cb 0.50 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1wwv h GLN 51 CO 0.00 1.14 0.02 0.77 -2.65 0.00 0.00 178.83 178.12 1wwv h SER 52 N -0.33 0.88 -1.06 -0.69 0.02 -1.95 -2.88 113.55 107.54 1wwv h SER 52 Ca -0.39 -0.30 0.30 0.00 -0.84 0.00 0.00 61.79 60.56 1wwv h SER 52 Cb 1.77 -0.24 -0.12 0.00 0.14 0.00 0.00 62.40 63.95 1wwv h SER 52 CO -0.02 0.96 0.65 -0.07 -1.14 0.00 0.00 176.83 177.22 1wwv h LEU 53 N 0.77 0.49 -1.47 5.07 3.38 -1.51 0.38 115.31 122.43 1wwv h LEU 53 Ca 0.15 0.13 0.30 0.00 0.09 0.00 0.00 57.88 58.55 1wwv h LEU 53 Cb 0.50 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1wwv h LEU 53 CO 0.02 -0.00 0.72 -0.33 0.09 0.00 0.00 178.44 178.94 1wwv h GLU 54 N 0.38 0.28 -0.74 1.13 5.08 -1.25 0.50 114.58 119.96 1wwv h GLU 54 Ca 0.68 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 59.07 1wwv h GLU 54 Cb 1.64 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.78 1wwv h GLU 54 CO -0.43 0.18 0.49 0.00 -1.00 0.00 0.00 179.01 178.25 1wwv h ALA 55 N 1.59 1.65 -0.21 3.43 0.00 -0.40 0.03 119.26 125.34 1wwv h ALA 55 Ca 0.62 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.46 1wwv h ALA 55 Cb 1.78 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1wwv h ALA 55 CO -0.27 0.24 0.07 1.28 0.00 0.00 0.00 179.25 180.57 1wwv n LEU 56 N -4.47 3.00 -1.73 0.00 4.77 0.17 -4.81 117.00 113.93 1wwv n LEU 56 Ca 0.10 -1.53 -0.13 0.00 -0.03 0.00 0.00 56.01 54.42 1wwv n LEU 56 Cb 0.20 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1wwv n LEU 56 CO 0.34 0.47 -0.07 0.00 -1.33 0.00 0.00 177.39 176.80 1wwv n ALA 57 N 0.13 -0.50 -3.86 -1.18 0.00 -0.01 -4.98 120.51 110.10 1wwv n ALA 57 Ca 0.12 0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 1wwv n ALA 57 Cb 0.64 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 17.83 1wwv n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wwv s VAL 58 N -2.80 2.51 -0.19 0.00 1.01 -1.08 -4.86 120.40 114.97 1wwv s VAL 58 Ca 0.11 -3.75 0.07 0.00 0.00 0.00 0.00 61.98 58.41 1wwv s VAL 58 Cb -0.05 -2.68 -0.17 0.00 0.00 0.00 0.00 36.38 33.48 1wwv s VAL 58 CO 0.13 -0.95 -0.09 0.54 0.00 0.00 0.00 175.10 174.73 1wwv n ARG 59 N 2.50 0.84 -1.63 2.72 1.74 -1.26 -2.46 116.66 119.10 1wwv n ARG 59 Ca 0.15 0.07 -0.51 0.00 -0.77 0.00 0.00 57.85 56.78 1wwv n ARG 59 Cb 0.35 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 1wwv n ARG 59 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wwv n SER 60 N -2.92 2.22 0.38 0.55 7.64 -1.26 -4.90 113.62 115.33 1wwv n SER 60 Ca -0.34 1.09 -0.15 0.00 1.01 0.00 0.00 58.87 60.49 1wwv n SER 60 Cb 0.97 -1.24 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 1wwv n SER 60 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1wwv h LEU 61 N 5.66 -0.83 -0.73 -3.43 7.12 -1.99 -2.40 115.31 118.71 1wwv h LEU 61 Ca -0.47 0.03 0.18 0.00 0.13 0.00 0.00 57.88 57.75 1wwv h LEU 61 Cb 1.31 0.22 -0.14 0.00 -0.53 0.00 0.00 40.66 41.52 1wwv h LEU 61 CO 0.85 -0.55 -0.07 0.61 -0.13 0.00 0.00 178.44 179.14 1wwv n GLY 62 N -1.19 -1.10 0.10 3.75 0.00 -1.26 0.12 105.19 105.60 1wwv n GLY 62 Ca -0.12 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.53 1wwv n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1wwv h HIS 63 N 0.00 0.23 0.54 1.61 3.86 -1.93 -2.60 115.15 116.86 1wwv h HIS 63 Ca 0.40 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.56 1wwv h HIS 63 Cb 0.75 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1wwv h HIS 63 CO -0.46 0.40 -0.45 1.96 0.86 0.00 0.00 177.93 180.25 1wwv h GLN 64 N -0.01 -0.94 -0.87 2.45 4.20 0.14 -2.43 115.11 117.65 1wwv h GLN 64 Ca 0.04 0.06 0.22 0.00 0.06 0.00 0.00 58.65 59.04 1wwv h GLN 64 Cb 0.30 0.21 -0.13 0.00 0.30 0.00 0.00 27.48 28.16 1wwv h GLN 64 CO 0.00 -0.63 0.31 0.93 -0.67 0.00 0.00 178.83 178.78 1wwv h GLU 65 N -0.97 0.30 -0.46 1.46 4.39 -0.93 0.33 114.58 118.69 1wwv h GLU 65 Ca -0.06 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.69 1wwv h GLU 65 Cb 0.83 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.35 1wwv h GLU 65 CO -0.01 0.20 0.12 -0.07 -1.16 0.00 0.00 179.01 178.08 1wwv h LEU 66 N 0.31 0.06 0.17 1.33 3.38 -1.04 -1.03 115.31 118.49 1wwv h LEU 66 Ca 0.55 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.58 1wwv h LEU 66 Cb 1.06 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1wwv h LEU 66 CO -0.58 0.06 -0.08 0.40 0.09 0.00 0.00 178.44 178.33 1wwv h ILE 67 N 0.26 0.00 -0.84 1.22 2.04 -0.38 -3.27 117.51 116.53 1wwv h ILE 67 Ca 0.23 -0.47 0.30 0.00 1.00 0.00 0.00 64.86 65.92 1wwv h ILE 67 Cb 0.27 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.20 1wwv h ILE 67 CO -0.27 0.00 0.26 0.18 0.00 0.00 0.00 178.15 178.31 1wwv n LEU 68 N -3.91 0.12 -0.07 1.44 7.99 0.88 0.10 117.00 123.55 1wwv n LEU 68 Ca -0.03 1.42 -0.07 0.00 -0.01 0.00 0.00 56.01 57.32 1wwv n LEU 68 Cb 0.09 -0.61 -0.01 0.00 -0.11 0.00 0.00 43.42 42.78 1wwv n LEU 68 CO 0.07 -1.52 0.87 1.23 -1.51 0.00 0.00 177.39 176.53 1wwv h GLY 69 N 0.00 0.28 0.83 -0.72 0.00 -1.27 -1.58 103.07 100.61 1wwv h GLY 69 Ca 0.62 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.93 1wwv h GLY 69 CO -0.72 -0.04 -0.01 -1.33 0.00 0.00 0.00 176.54 174.44 1wwv h GLY 70 N 0.11 0.45 0.24 4.60 0.00 0.66 -3.11 103.07 106.00 1wwv h GLY 70 Ca 0.13 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.15 1wwv h GLY 70 CO -0.20 0.31 -0.37 -2.08 0.00 0.00 0.00 176.54 174.21 1wwv h VAL 71 N 0.17 0.23 -1.09 4.60 2.07 -1.09 -0.39 116.25 120.76 1wwv h VAL 71 Ca 0.06 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.88 1wwv h VAL 71 Cb 0.43 0.23 -0.09 0.00 -1.52 0.00 0.00 31.29 30.34 1wwv h VAL 71 CO 0.01 0.00 0.72 -0.33 0.02 0.00 0.00 177.57 177.99 1wwv h GLU 72 N -0.53 0.28 -0.09 1.57 4.39 -1.33 0.62 114.58 119.50 1wwv h GLU 72 Ca 0.05 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 1wwv h GLU 72 Cb 0.61 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1wwv h GLU 72 CO -0.29 0.19 -0.64 1.96 -1.16 0.00 0.00 179.01 179.07 1wwv h GLN 73 N 0.29 0.34 0.16 2.33 1.08 -1.05 -3.28 115.11 114.98 1wwv h GLN 73 Ca 0.61 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.55 1wwv h GLN 73 Cb 1.73 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.21 1wwv h GLN 73 CO -0.25 0.87 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.34 1wwv h LEU 74 N 0.24 -0.18 -1.73 1.46 3.38 0.13 -3.04 115.31 115.57 1wwv h LEU 74 Ca -0.01 -0.30 0.47 0.00 0.09 0.00 0.00 57.88 58.12 1wwv h LEU 74 Cb 1.18 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 1wwv h LEU 74 CO 0.11 0.24 1.07 1.56 0.09 0.00 0.00 178.44 181.50 1wwv h GLN 75 N -0.64 0.04 0.00 1.13 4.20 -1.29 0.11 115.11 118.67 1wwv h GLN 75 Ca -0.02 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1wwv h GLN 75 Cb 0.47 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1wwv h GLN 75 CO 0.04 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 1wwv n ALA 76 N -2.72 -0.32 0.32 3.87 0.00 -1.15 -1.12 120.51 119.39 1wwv n ALA 76 Ca 0.38 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.98 1wwv n ALA 76 Cb 1.62 0.00 0.85 0.00 0.00 0.00 0.00 19.45 21.91 1wwv n ALA 76 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1wwv h LEU 77 N 0.00 0.00 0.22 0.00 8.10 -1.31 0.11 115.31 122.44 1wwv h LEU 77 Ca 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.66 1wwv h LEU 77 Cb 0.00 0.00 0.04 0.00 -0.44 0.00 0.00 40.66 40.26 1wwv h LEU 77 CO 0.00 0.00 -1.43 -1.28 -4.11 0.00 0.00 178.44 171.62 1wwv h SER 78 N 0.00 0.84 -0.49 0.17 0.87 -0.77 -3.35 113.55 110.81 1wwv h SER 78 Ca 0.01 -0.87 0.07 0.00 -1.23 0.00 0.00 61.79 59.77 1wwv h SER 78 Cb 0.64 -0.27 -0.09 0.00 -0.44 0.00 0.00 62.40 62.23 1wwv h SER 78 CO -0.00 1.68 -0.49 -1.28 -0.53 0.00 0.00 176.83 176.21 1wwv h SER 79 N 0.17 -1.66 -3.88 6.23 0.87 0.83 -3.40 113.55 112.70 1wwv h SER 79 Ca -0.24 0.24 -0.69 0.00 -1.23 0.00 0.00 61.79 59.88 1wwv h SER 79 Cb 2.12 0.71 -0.21 0.00 -0.44 0.00 0.00 62.40 64.58 1wwv h SER 79 CO 0.27 -0.37 -0.74 0.00 -0.53 0.00 0.00 176.83 175.46 1wwv s ARG 80 N -5.75 2.58 0.61 2.24 1.70 -1.24 -5.13 118.95 113.97 1wwv s ARG 80 Ca -0.14 -0.65 -0.05 0.00 -0.47 0.00 0.00 55.73 54.42 1wwv s ARG 80 Cb 0.11 -2.46 0.02 0.00 -0.57 0.00 0.00 34.95 32.05 1wwv s ARG 80 CO 0.64 0.64 0.91 -0.51 -1.08 0.00 0.00 175.30 175.90 1wwv s LEU 81 N -0.80 3.16 -1.22 -1.89 1.02 -1.26 -4.40 118.68 113.29 1wwv s LEU 81 Ca 0.12 0.61 -0.03 0.00 0.02 0.00 0.00 54.13 54.85 1wwv s LEU 81 Cb -0.11 -3.41 -0.01 0.00 0.02 0.00 0.00 46.19 42.68 1wwv s LEU 81 CO 0.01 -1.16 0.81 1.67 0.02 0.00 0.00 176.35 177.70 1wwv n GLN 82 N -2.62 -4.47 -1.57 1.70 7.27 -1.26 -4.97 117.38 111.46 1wwv n GLN 82 Ca 0.05 0.70 -0.30 0.00 0.07 0.00 0.00 57.00 57.52 1wwv n GLN 82 Cb 0.58 -5.33 0.09 0.00 2.41 0.00 0.00 30.24 27.99 1wwv n GLN 82 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1wwv s THR 83 N -3.53 3.08 0.04 1.69 -4.23 -1.26 -5.08 115.64 106.35 1wwv s THR 83 Ca 0.13 0.35 0.07 0.00 -1.18 0.00 0.00 61.69 61.06 1wwv s THR 83 Cb -0.03 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 1wwv s THR 83 CO 0.79 -0.46 -0.21 -0.70 -0.54 0.00 0.00 174.62 173.50 1wwv s GLU 84 N -5.16 1.41 0.17 3.99 2.12 -1.26 -5.14 118.70 114.83 1wwv s GLU 84 Ca 0.61 -0.94 -0.24 0.00 0.36 0.00 0.00 54.97 54.76 1wwv s GLU 84 Cb -0.14 -1.52 0.06 0.00 0.26 0.00 0.00 34.13 32.78 1wwv s GLU 84 CO 0.54 0.39 0.79 0.54 -0.54 0.00 0.00 175.26 176.98 1wwv s ASN 85 N -1.17 -0.31 -0.28 -1.70 2.20 -1.26 -5.14 114.94 107.28 1wwv s ASN 85 Ca 0.08 -0.33 0.01 0.00 -0.94 0.00 0.00 52.86 51.67 1wwv s ASN 85 Cb -0.09 0.58 0.08 0.00 -2.00 0.00 0.00 41.25 39.82 1wwv s ASN 85 CO 0.02 -1.03 0.02 -0.55 -2.94 0.00 0.00 177.10 172.62 1wwv s SER 86 N -2.83 4.08 0.00 3.54 0.15 -1.26 -4.92 113.70 112.46 1wwv s SER 86 Ca 0.08 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.20 1wwv s SER 86 Cb -0.03 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1wwv s SER 86 CO -0.01 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1wwv n GLY 87 N 4.64 0.55 0.22 9.45 0.00 -1.26 -4.99 105.19 113.81 1wwv n GLY 87 Ca -0.05 -0.66 0.15 0.00 0.00 0.00 0.00 46.02 45.46 1wwv n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwv h PRO 88 N 0.00 0.00 -0.51 1.61 0.13 -2.05 -3.18 132.00 128.00 1wwv h PRO 88 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1wwv h PRO 88 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1wwv h PRO 88 CO 0.00 0.00 0.09 0.77 -0.23 0.00 0.00 178.00 178.63 1wwv h SER 89 N 0.00 -0.03 -6.36 1.44 0.02 -2.03 -3.45 113.55 103.14 1wwv h SER 89 Ca 0.00 0.09 -0.48 0.00 -0.84 0.00 0.00 61.79 60.56 1wwv h SER 89 Cb 0.44 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 1wwv h SER 89 CO 0.00 0.01 -0.80 -0.24 -1.14 0.00 0.00 176.83 174.66 1wwv n SER 90 N -5.13 -3.21 0.00 3.07 2.88 -1.21 -5.30 113.62 104.72 1wwv n SER 90 Ca 0.06 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1wwv n SER 90 Cb 0.26 -3.62 0.00 0.00 -0.75 0.00 0.00 64.21 60.10 1wwv n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42