#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl s MET 2 N 0.00 3.69 0.00 4.33 1.00 -1.26 -4.96 119.30 122.10 2wwl s MET 2 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 55.69 55.79 2wwl s MET 2 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 34.83 32.17 2wwl s MET 2 CO 0.00 0.26 0.00 1.04 0.00 0.00 0.00 175.02 176.32 2wwl n GLN 3 N -0.58 1.38 -4.04 2.03 1.13 -1.26 -4.88 117.38 111.15 2wwl n GLN 3 Ca -0.01 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.74 2wwl n GLN 3 Cb 0.53 -0.88 -0.16 0.00 0.11 0.00 0.00 30.24 29.84 2wwl n GLN 3 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2wwl s ASP 4 N -3.21 3.01 0.02 1.08 3.68 -1.26 -4.87 116.67 115.13 2wwl s ASP 4 Ca 0.00 -0.65 -0.27 0.00 2.13 0.00 0.00 52.55 53.76 2wwl s ASP 4 Cb 0.00 -1.29 -0.16 0.00 -1.45 0.00 0.00 42.92 40.02 2wwl s ASP 4 CO 0.00 -0.06 1.24 1.55 0.13 0.00 0.00 175.17 178.03 2wwl h PRO 5 N 8.00 -0.75 -0.89 4.34 0.13 -2.00 -3.37 132.00 137.46 2wwl h PRO 5 Ca -0.38 0.05 0.24 0.00 -0.87 0.00 0.00 66.00 65.05 2wwl h PRO 5 Cb 1.13 0.17 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 2wwl h PRO 5 CO 0.55 -0.44 0.26 0.82 -0.23 0.00 0.00 178.00 178.96 2wwl h ILE 6 N -1.03 0.31 -0.21 -3.56 2.04 -1.97 0.19 117.51 113.28 2wwl h ILE 6 Ca -0.08 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.76 2wwl h ILE 6 Cb 0.66 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2wwl h ILE 6 CO 0.13 0.04 -0.14 0.00 0.00 0.00 0.00 178.15 178.18 2wwl h ALA 7 N 1.79 0.02 -0.99 1.87 0.00 -1.99 -2.51 119.26 117.44 2wwl h ALA 7 Ca 0.57 0.08 0.36 0.00 0.00 0.00 0.00 54.91 55.91 2wwl h ALA 7 Cb 1.15 0.31 -0.18 0.00 0.00 0.00 0.00 17.79 19.08 2wwl h ALA 7 CO -0.65 -0.56 0.37 -0.44 0.00 0.00 0.00 179.25 177.97 2wwl h ASP 8 N -0.13 0.08 0.00 0.00 3.32 -1.12 0.21 116.42 118.77 2wwl h ASP 8 Ca 0.12 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2wwl h ASP 8 Cb 0.31 0.33 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2wwl h ASP 8 CO -0.29 -0.38 0.00 0.80 -1.72 0.00 0.00 179.24 177.65 2wwl n MET 9 N -5.31 0.00 -0.28 3.56 1.56 -0.97 -3.19 117.12 112.49 2wwl n MET 9 Ca 0.32 0.30 0.09 0.00 -0.27 0.00 0.00 57.70 58.14 2wwl n MET 9 Cb 1.08 -1.26 0.24 0.00 2.15 0.00 0.00 33.22 35.43 2wwl n MET 9 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 2wwl h LEU 10 N 0.00 0.18 -0.58 -0.89 3.38 -0.88 -2.26 115.31 114.26 2wwl h LEU 10 Ca 0.00 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2wwl h LEU 10 Cb 0.00 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2wwl h LEU 10 CO 0.00 -0.01 0.34 0.74 0.09 0.00 0.00 178.44 179.60 2wwl h THR 11 N 0.35 1.04 0.00 0.22 2.02 -0.81 -2.70 112.91 113.03 2wwl h THR 11 Ca 0.48 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.43 2wwl h THR 11 Cb 0.86 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2wwl h THR 11 CO -0.51 0.12 -0.14 0.54 0.37 0.00 0.00 175.52 175.90 2wwl n ARG 12 N -4.77 0.26 0.02 6.66 1.74 -0.88 -2.75 116.66 116.94 2wwl n ARG 12 Ca 0.05 0.18 -0.12 0.00 -0.77 0.00 0.00 57.85 57.19 2wwl n ARG 12 Cb 0.10 -1.76 -0.09 0.00 -1.02 0.00 0.00 32.46 29.68 2wwl n ARG 12 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wwl h ILE 13 N 0.00 1.14 -0.19 0.55 2.04 -1.33 -2.41 117.51 117.31 2wwl h ILE 13 Ca 0.00 -1.22 -0.20 0.00 1.00 0.00 0.00 64.86 64.44 2wwl h ILE 13 Cb 0.73 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2wwl h ILE 13 CO 0.00 0.28 -0.68 0.08 0.00 0.00 0.00 178.15 177.83 2wwl h ARG 14 N -0.73 0.75 -0.88 2.37 0.11 -1.49 -1.62 114.38 112.90 2wwl h ARG 14 Ca -0.01 -0.56 0.15 0.00 0.10 0.00 0.00 59.98 59.66 2wwl h ARG 14 Cb 0.56 0.10 -0.07 0.00 1.11 0.00 0.00 29.97 31.67 2wwl h ARG 14 CO 0.02 1.18 0.57 -0.91 0.10 0.00 0.00 179.97 180.93 2wwl h ASN 15 N 0.54 0.60 0.03 0.08 4.21 -1.67 -2.74 115.58 116.65 2wwl h ASN 15 Ca -0.02 0.04 -0.37 0.00 1.21 0.00 0.00 56.30 57.16 2wwl h ASN 15 Cb 1.29 -0.08 -0.07 0.00 -1.12 0.00 0.00 38.32 38.35 2wwl h ASN 15 CO 0.14 0.30 -2.35 0.61 -1.29 0.00 0.00 177.43 174.83 2wwl n GLY 16 N -1.45 -0.88 0.19 2.83 0.00 -0.91 -1.72 105.19 103.26 2wwl n GLY 16 Ca 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 2wwl n GLY 16 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2wwl h GLN 17 N 0.00 0.05 0.00 1.61 1.08 -1.30 -0.87 115.11 115.69 2wwl h GLN 17 Ca -0.54 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.64 2wwl h GLN 17 Cb 2.17 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 29.59 2wwl h GLN 17 CO 0.01 0.03 -0.13 0.00 -0.95 0.00 0.00 178.83 177.80 2wwl h ALA 18 N 1.45 1.58 0.00 3.87 0.00 -1.37 -2.67 119.26 122.11 2wwl h ALA 18 Ca 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2wwl h ALA 18 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wwl h ALA 18 CO -0.44 0.16 -1.17 0.00 0.00 0.00 0.00 179.25 177.79 2wwl n ALA 19 N -2.42 2.38 -2.68 0.00 0.00 -0.70 -4.99 120.51 112.11 2wwl n ALA 19 Ca -0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 53.44 53.01 2wwl n ALA 19 Cb 0.21 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.64 2wwl n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wwl n ASN 20 N -2.71 -2.68 -2.07 0.00 3.02 -0.35 -5.05 115.26 105.42 2wwl n ASN 20 Ca -0.03 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 2wwl n ASN 20 Cb 0.63 -2.15 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 2wwl n ASN 20 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wwl n LYS 21 N -2.12 3.29 0.00 3.52 5.02 -1.11 -5.06 118.16 121.70 2wwl n LYS 21 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2wwl n LYS 21 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 2wwl n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wwl n ALA 22 N -3.00 0.42 -3.65 7.82 0.00 -1.26 -5.02 120.51 115.82 2wwl n ALA 22 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 2wwl n ALA 22 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2wwl n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwl s ALA 23 N 0.00 -2.25 0.34 0.00 0.00 -1.26 -0.80 121.76 117.78 2wwl s ALA 23 Ca 0.00 1.66 0.07 0.00 0.00 0.00 0.00 51.96 53.69 2wwl s ALA 23 Cb 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 23.12 21.23 2wwl s ALA 23 CO 0.00 -0.08 -0.04 0.54 0.00 0.00 0.00 175.76 176.18 2wwl s VAL 24 N -0.01 1.84 0.09 0.00 0.11 -1.10 -4.94 120.40 116.39 2wwl s VAL 24 Ca 0.08 -2.10 0.07 0.00 -2.93 0.00 0.00 61.98 57.10 2wwl s VAL 24 Cb -0.05 -2.69 -0.03 0.00 -1.53 0.00 0.00 36.38 32.08 2wwl s VAL 24 CO -0.17 -0.15 -0.18 0.42 -3.33 0.00 0.00 175.10 171.68 2wwl s THR 25 N -2.86 1.50 -0.23 5.04 -4.23 -1.26 -2.85 115.64 110.75 2wwl s THR 25 Ca 0.33 -1.47 -0.33 0.00 -1.18 0.00 0.00 61.69 59.03 2wwl s THR 25 Cb 0.06 -1.40 0.15 0.00 1.34 0.00 0.00 72.50 72.65 2wwl s THR 25 CO 0.15 -0.13 1.25 0.00 -0.54 0.00 0.00 174.62 175.35 2wwl s MET 26 N -1.88 0.23 0.13 3.99 0.23 -1.24 -5.03 119.30 115.73 2wwl s MET 26 Ca 0.04 -0.04 -0.31 0.00 -1.03 0.00 0.00 55.69 54.35 2wwl s MET 26 Cb -0.10 0.11 -0.10 0.00 -1.53 0.00 0.00 34.83 33.21 2wwl s MET 26 CO 0.04 -0.09 1.74 -2.14 -2.03 0.00 0.00 175.02 172.53 2wwl s PRO 27 N -1.85 4.16 0.90 3.16 0.02 -1.26 -1.79 135.00 138.33 2wwl s PRO 27 Ca 0.08 2.51 -0.12 0.00 0.02 0.00 0.00 61.00 63.49 2wwl s PRO 27 Cb -0.01 -3.45 0.13 0.00 0.02 0.00 0.00 34.50 31.19 2wwl s PRO 27 CO -0.05 -0.77 1.10 0.45 -0.33 0.00 0.00 177.00 177.40 2wwl s SER 28 N 2.18 3.55 0.10 2.53 0.15 -1.20 -4.70 113.70 116.31 2wwl s SER 28 Ca 0.77 1.27 -0.25 0.00 0.70 0.00 0.00 55.95 58.44 2wwl s SER 28 Cb -0.45 -1.94 0.07 0.00 -1.71 0.00 0.00 66.02 62.00 2wwl s SER 28 CO 0.34 -2.56 0.65 -0.55 1.20 0.00 0.00 173.24 172.32 2wwl s SER 29 N -3.68 -0.56 0.22 5.45 0.15 -1.26 -4.89 113.70 109.14 2wwl s SER 29 Ca 0.63 0.12 -0.16 0.00 0.70 0.00 0.00 55.95 57.24 2wwl s SER 29 Cb -0.17 0.56 0.24 0.00 -1.71 0.00 0.00 66.02 64.94 2wwl s SER 29 CO 0.56 -0.86 1.57 0.50 1.20 0.00 0.00 173.24 176.21 2wwl h LYS 30 N 2.17 -0.05 -0.52 5.44 3.64 -2.01 0.02 116.57 125.26 2wwl h LYS 30 Ca -0.31 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.11 2wwl h LYS 30 Cb 1.27 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 2wwl h LYS 30 CO 0.37 -0.04 0.28 1.25 -2.27 0.00 0.00 179.45 179.04 2wwl h LEU 31 N -0.06 0.41 -2.02 5.20 5.85 -1.99 -2.79 115.31 119.92 2wwl h LEU 31 Ca 0.33 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 2wwl h LEU 31 Cb 0.59 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2wwl h LEU 31 CO -0.85 0.28 -0.00 0.11 -0.34 0.00 0.00 178.44 177.64 2wwl h LYS 32 N 0.54 0.00 0.38 1.25 1.57 -1.42 -1.60 116.57 117.28 2wwl h LYS 32 Ca 0.23 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2wwl h LYS 32 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wwl h LYS 32 CO -0.14 0.00 -0.18 0.28 -0.57 0.00 0.00 179.45 178.83 2wwl h VAL 33 N 0.00 0.00 0.00 0.50 2.07 -1.09 -2.49 116.25 115.24 2wwl h VAL 33 Ca -0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2wwl h VAL 33 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2wwl h VAL 33 CO 0.00 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.16 2wwl h ALA 34 N -1.67 1.56 0.00 1.67 0.00 -1.34 -1.94 119.26 117.54 2wwl h ALA 34 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2wwl h ALA 34 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2wwl h ALA 34 CO 0.09 -0.56 -0.27 0.82 0.00 0.00 0.00 179.25 179.32 2wwl h ILE 35 N 0.00 1.14 -0.28 0.00 2.04 -1.22 -3.30 117.51 115.90 2wwl h ILE 35 Ca 0.00 -1.95 0.08 0.00 1.00 0.00 0.00 64.86 63.99 2wwl h ILE 35 Cb 1.14 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2wwl h ILE 35 CO 0.00 0.39 0.33 0.00 0.00 0.00 0.00 178.15 178.87 2wwl h ALA 36 N -0.37 1.91 -0.44 1.87 0.00 -0.90 -1.50 119.26 119.84 2wwl h ALA 36 Ca -0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2wwl h ALA 36 Cb 0.82 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2wwl h ALA 36 CO -0.04 -0.47 -0.17 -0.91 0.00 0.00 0.00 179.25 177.66 2wwl h ASN 37 N 0.00 0.84 0.26 0.00 4.21 -1.52 -2.43 115.58 116.94 2wwl h ASN 37 Ca 0.13 -0.28 -0.34 0.00 1.21 0.00 0.00 56.30 57.02 2wwl h ASN 37 Cb 0.79 -0.23 0.02 0.00 -1.12 0.00 0.00 38.32 37.78 2wwl h ASN 37 CO -0.00 1.00 -1.59 0.58 -1.29 0.00 0.00 177.43 176.13 2wwl h VAL 38 N 0.74 1.15 -0.99 2.81 2.07 -1.36 -2.45 116.25 118.23 2wwl h VAL 38 Ca 0.11 -2.65 0.17 0.00 0.82 0.00 0.00 66.70 65.15 2wwl h VAL 38 Cb 0.68 2.92 -0.09 0.00 -1.52 0.00 0.00 31.29 33.28 2wwl h VAL 38 CO 0.05 0.83 0.62 -0.07 0.02 0.00 0.00 177.57 179.02 2wwl h LEU 39 N 0.13 0.79 -0.01 2.57 3.38 -1.59 -1.99 115.31 118.58 2wwl h LEU 39 Ca -0.29 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2wwl h LEU 39 Cb 2.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2wwl h LEU 39 CO 0.23 0.34 -0.05 0.50 0.09 0.00 0.00 178.44 179.56 2wwl h LYS 40 N 0.80 0.05 0.19 1.13 3.11 -1.22 0.25 116.57 120.89 2wwl h LYS 40 Ca 0.53 -0.04 0.01 0.00 -2.81 0.00 0.00 60.65 58.34 2wwl h LYS 40 Cb 0.78 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.98 2wwl h LYS 40 CO -0.31 0.67 -0.49 0.93 -2.81 0.00 0.00 179.45 177.44 2wwl h GLU 41 N -0.55 -0.75 0.00 1.90 3.07 -1.28 -2.48 114.58 114.50 2wwl h GLU 41 Ca -0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2wwl h GLU 41 Cb 0.68 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2wwl h GLU 41 CO 0.01 -0.50 0.00 0.93 -1.40 0.00 0.00 179.01 178.05 2wwl h GLU 42 N -0.78 0.00 -3.31 2.33 4.39 -1.40 -3.47 114.58 112.34 2wwl h GLU 42 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wwl h GLU 42 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2wwl h GLU 42 CO -0.23 0.00 -0.48 0.41 -1.16 0.00 0.00 179.01 177.55 2wwl n GLY 43 N -1.09 -4.06 0.00 -3.84 0.00 -0.67 -5.05 105.19 90.48 2wwl n GLY 43 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2wwl n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wwl n PHE 44 N 0.76 0.00 -4.04 1.61 3.72 0.80 -4.94 117.46 115.37 2wwl n PHE 44 Ca -0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.24 2wwl n PHE 44 Cb 0.07 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 2wwl n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2wwl s ILE 45 N -0.14 0.42 0.00 4.37 -4.36 -1.25 -4.72 121.20 115.53 2wwl s ILE 45 Ca 0.00 -1.08 0.00 0.00 -0.26 0.00 0.00 60.65 59.31 2wwl s ILE 45 Cb 0.00 -0.57 0.00 0.00 1.25 0.00 0.00 42.46 43.14 2wwl s ILE 45 CO 0.00 -0.44 0.95 1.21 0.24 0.00 0.00 174.94 176.89 2wwl n GLU 46 N 1.42 0.00 -0.96 0.37 4.07 -0.27 -4.58 120.64 120.70 2wwl n GLU 46 Ca -0.23 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 2wwl n GLU 46 Cb 0.55 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.48 2wwl n GLU 46 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2wwl n ASP 47 N -1.91 0.00 -3.53 4.31 8.00 -1.19 -4.95 116.55 117.28 2wwl n ASP 47 Ca 0.00 -0.86 -0.17 0.00 0.71 0.00 0.00 54.79 54.47 2wwl n ASP 47 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2wwl n ASP 47 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2wwl s PHE 48 N -7.42 -0.63 -0.08 1.24 -0.71 -1.26 -0.57 117.98 108.56 2wwl s PHE 48 Ca 0.00 1.06 -0.06 0.00 -1.04 0.00 0.00 56.93 56.90 2wwl s PHE 48 Cb 0.00 0.42 0.03 0.00 -1.21 0.00 0.00 43.02 42.25 2wwl s PHE 48 CO 0.00 -0.58 0.19 0.21 -1.34 0.00 0.00 175.22 173.70 2wwl s LYS 49 N -1.21 0.20 -0.30 1.99 2.47 -0.66 -4.94 119.74 117.29 2wwl s LYS 49 Ca -0.10 0.32 -0.06 0.00 -1.56 0.00 0.00 55.97 54.58 2wwl s LYS 49 Cb -0.00 0.03 0.02 0.00 -1.46 0.00 0.00 37.83 36.42 2wwl s LYS 49 CO 0.09 -0.07 0.06 0.08 0.16 0.00 0.00 175.35 175.67 2wwl s VAL 50 N 0.45 3.67 -0.55 4.02 1.01 -1.26 -1.16 120.40 126.58 2wwl s VAL 50 Ca -0.03 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 2wwl s VAL 50 Cb -0.04 -2.96 0.11 0.00 0.00 0.00 0.00 36.38 33.49 2wwl s VAL 50 CO -0.02 -0.00 0.55 -0.70 0.00 0.00 0.00 175.10 174.93 2wwl s GLU 51 N 1.42 3.01 -0.01 2.72 -6.30 -0.68 -4.82 118.70 114.04 2wwl s GLU 51 Ca 0.00 -1.52 0.11 0.00 -2.50 0.00 0.00 54.97 51.06 2wwl s GLU 51 Cb -0.18 -4.26 -0.14 0.00 0.00 0.00 0.00 34.13 29.55 2wwl s GLU 51 CO 0.01 -1.35 0.37 0.41 0.02 0.00 0.00 175.26 174.72 2wwl n GLY 52 N 5.25 -0.22 0.32 -1.50 0.00 -1.26 -1.27 105.19 106.50 2wwl n GLY 52 Ca -0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 2wwl n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wwl h ASP 53 N 0.00 1.03 0.00 1.61 3.32 -1.99 -3.31 116.42 117.07 2wwl h ASP 53 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2wwl h ASP 53 Cb 0.36 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2wwl h ASP 53 CO 0.00 0.95 0.00 0.41 -1.72 0.00 0.00 179.24 178.88 2wwl n THR 54 N -4.31 0.00 -4.44 0.35 -1.04 -1.26 -5.03 114.28 98.55 2wwl n THR 54 Ca 0.06 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.78 2wwl n THR 54 Cb 0.21 -0.19 -0.17 0.00 -1.82 0.00 0.00 70.33 68.36 2wwl n THR 54 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2wwl s LYS 55 N 0.00 2.16 -0.00 -2.82 -0.14 -1.25 -5.11 119.74 112.59 2wwl s LYS 55 Ca 0.00 -0.54 -0.36 0.00 -1.36 0.00 0.00 55.97 53.71 2wwl s LYS 55 Cb 0.00 -1.85 -0.14 0.00 -1.68 0.00 0.00 37.83 34.16 2wwl s LYS 55 CO 0.00 -0.07 1.66 -2.30 -0.76 0.00 0.00 175.35 173.88 2wwl n PRO 56 N 4.21 1.81 -3.89 -1.68 -0.02 -1.24 -4.55 135.00 129.63 2wwl n PRO 56 Ca -0.19 0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 2wwl n PRO 56 Cb 0.51 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 2wwl n PRO 56 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wwl s GLU 57 N 2.26 0.27 -0.45 -0.52 0.41 -0.39 -3.21 118.70 117.06 2wwl s GLU 57 Ca 0.87 -0.23 -0.16 0.00 -0.41 0.00 0.00 54.97 55.04 2wwl s GLU 57 Cb -0.80 0.11 0.05 0.00 -1.78 0.00 0.00 34.13 31.71 2wwl s GLU 57 CO 0.48 -0.05 0.41 -1.17 -0.49 0.00 0.00 175.26 174.44 2wwl s LEU 58 N -0.78 5.28 -0.89 1.80 2.96 -0.74 -1.69 118.68 124.62 2wwl s LEU 58 Ca -0.09 -1.05 -0.15 0.00 -0.22 0.00 0.00 54.13 52.62 2wwl s LEU 58 Cb -0.05 -2.25 0.19 0.00 0.50 0.00 0.00 46.19 44.58 2wwl s LEU 58 CO 0.00 -0.62 0.92 -0.70 -1.32 0.00 0.00 176.35 174.64 2wwl s GLU 59 N 1.87 3.65 -0.18 1.98 2.12 -0.31 -3.63 118.70 124.21 2wwl s GLU 59 Ca 0.07 -2.29 -0.09 0.00 0.36 0.00 0.00 54.97 53.02 2wwl s GLU 59 Cb -0.21 -4.61 -0.05 0.00 0.26 0.00 0.00 34.13 29.52 2wwl s GLU 59 CO 0.09 -1.46 0.13 -0.48 -0.54 0.00 0.00 175.26 173.01 2wwl s LEU 60 N 0.93 4.25 -0.12 2.70 0.05 -1.13 -1.65 118.68 123.71 2wwl s LEU 60 Ca 0.24 0.29 -0.19 0.00 0.05 0.00 0.00 54.13 54.52 2wwl s LEU 60 Cb -0.08 -2.08 -0.04 0.00 -2.05 0.00 0.00 46.19 41.94 2wwl s LEU 60 CO -0.09 0.25 0.53 -0.89 -0.55 0.00 0.00 176.35 175.60 2wwl s THR 61 N -0.04 5.14 0.01 5.48 2.01 0.26 -2.71 115.64 125.79 2wwl s THR 61 Ca 0.10 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.88 2wwl s THR 61 Cb -0.11 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2wwl s THR 61 CO -0.00 0.28 0.92 -0.76 -0.69 0.00 0.00 174.62 174.37 2wwl s LEU 62 N 0.83 4.39 -0.06 4.42 1.43 0.02 -1.11 118.68 128.60 2wwl s LEU 62 Ca 0.28 1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 54.81 2wwl s LEU 62 Cb -0.16 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2wwl s LEU 62 CO 0.12 -0.19 0.47 -1.59 0.23 0.00 0.00 176.35 175.38 2wwl s LYS 63 N 0.77 4.21 0.39 1.70 -2.85 -1.26 -4.54 119.74 118.16 2wwl s LYS 63 Ca 0.48 0.48 0.08 0.00 -1.00 0.00 0.00 55.97 56.01 2wwl s LYS 63 Cb -0.21 -3.35 -0.06 0.00 -2.06 0.00 0.00 37.83 32.15 2wwl s LYS 63 CO 0.26 0.37 0.08 0.71 0.10 0.00 0.00 175.35 176.87 2wwl s TYR 64 N -0.07 2.56 -0.24 1.78 1.51 -1.26 -4.60 117.35 117.03 2wwl s TYR 64 Ca 0.26 -0.56 -0.16 0.00 -1.01 0.00 0.00 57.07 55.60 2wwl s TYR 64 Cb -0.16 -1.76 -0.10 0.00 -0.11 0.00 0.00 41.96 39.83 2wwl s TYR 64 CO 0.12 0.35 -0.33 0.34 -1.11 0.00 0.00 175.55 174.93 2wwl n PHE 65 N -1.07 0.07 -0.62 2.71 -0.00 -1.07 -4.91 117.46 112.58 2wwl n PHE 65 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2wwl n PHE 65 Cb 0.64 -0.84 0.00 0.00 -0.00 0.00 0.00 39.48 39.29 2wwl n PHE 65 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wwl n GLN 66 N -4.34 0.00 0.00 -4.13 0.00 -1.26 -4.96 117.38 102.69 2wwl n GLN 66 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.60 2wwl n GLN 66 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.99 2wwl n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wwl n GLY 67 N 0.00 1.92 3.75 2.61 0.00 -1.26 -5.10 105.19 107.11 2wwl n GLY 67 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2wwl n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wwl s LYS 68 N 0.00 3.20 0.80 1.61 2.20 -1.26 -5.04 119.74 121.25 2wwl s LYS 68 Ca 0.00 2.11 -0.09 0.00 -0.36 0.00 0.00 55.97 57.64 2wwl s LYS 68 Cb 0.00 -2.24 0.13 0.00 -1.51 0.00 0.00 37.83 34.21 2wwl s LYS 68 CO 0.00 -1.10 1.12 0.00 -0.36 0.00 0.00 175.35 175.01 2wwl s ALA 69 N -1.37 2.97 -0.81 3.13 0.00 -1.26 -2.58 121.76 121.83 2wwl s ALA 69 Ca 0.71 -1.22 0.09 0.00 0.00 0.00 0.00 51.96 51.54 2wwl s ALA 69 Cb -0.37 -2.52 0.27 0.00 0.00 0.00 0.00 23.12 20.49 2wwl s ALA 69 CO 0.44 -1.75 1.22 1.33 0.00 0.00 0.00 175.76 177.00 2wwl n VAL 70 N -3.20 1.00 -3.86 0.00 0.24 -1.26 -4.69 118.33 106.56 2wwl n VAL 70 Ca 0.12 -1.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.07 2wwl n VAL 70 Cb 0.60 0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 33.39 2wwl n VAL 70 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2wwl s VAL 71 N -1.01 5.26 0.00 3.34 -7.23 -1.26 -4.92 120.40 114.59 2wwl s VAL 71 Ca 0.20 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 2wwl s VAL 71 Cb 0.11 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2wwl s VAL 71 CO 0.14 0.51 0.00 -1.84 -0.31 0.00 0.00 175.10 173.59 2wwl n GLU 72 N 2.99 0.00 0.00 4.82 0.28 -1.26 -4.95 120.64 122.52 2wwl n GLU 72 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2wwl n GLU 72 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 2wwl n GLU 72 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2wwl n SER 73 N 0.00 0.00 -4.68 -1.84 7.64 -1.26 -5.07 113.62 108.41 2wwl n SER 73 Ca 0.00 -0.53 -0.49 0.00 1.01 0.00 0.00 58.87 58.86 2wwl n SER 73 Cb 0.18 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.33 2wwl n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wwl n ILE 74 N 0.00 0.55 -3.55 0.44 3.06 -1.25 -4.43 119.36 114.18 2wwl n ILE 74 Ca 0.00 -0.11 -0.06 0.00 -2.50 0.00 0.00 62.75 60.08 2wwl n ILE 74 Cb 0.13 -1.82 -0.02 0.00 0.54 0.00 0.00 39.64 38.47 2wwl n ILE 74 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 2wwl s GLN 75 N 4.13 0.55 -0.28 9.51 0.74 -1.13 -5.04 119.66 128.14 2wwl s GLN 75 Ca 0.94 -0.18 -0.09 0.00 0.05 0.00 0.00 55.36 56.08 2wwl s GLN 75 Cb -0.73 0.25 -0.02 0.00 1.10 0.00 0.00 33.01 33.62 2wwl s GLN 75 CO 0.53 -0.24 0.12 0.50 -0.55 0.00 0.00 175.29 175.65 2wwl s ARG 76 N -2.66 3.47 0.20 1.67 3.52 -1.26 -3.03 118.95 120.86 2wwl s ARG 76 Ca 0.07 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2wwl s ARG 76 Cb -0.01 -3.46 0.12 0.00 -1.56 0.00 0.00 34.95 30.04 2wwl s ARG 76 CO -0.06 -0.32 1.48 0.28 -0.81 0.00 0.00 175.30 175.87 2wwl h VAL 77 N 5.62 1.38 -1.19 7.11 2.07 -1.82 -3.45 116.25 125.98 2wwl h VAL 77 Ca -0.35 -2.08 -0.46 0.00 0.82 0.00 0.00 66.70 64.63 2wwl h VAL 77 Cb 1.16 2.06 0.03 0.00 -1.52 0.00 0.00 31.29 33.02 2wwl h VAL 77 CO 0.59 0.62 -0.14 -0.44 0.02 0.00 0.00 177.57 178.23 2wwl s SER 78 N -6.94 5.27 0.24 0.57 0.01 -1.23 -5.04 113.70 106.58 2wwl s SER 78 Ca -0.05 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.48 2wwl s SER 78 Cb 0.11 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 2wwl s SER 78 CO 0.83 -1.15 0.42 -0.13 0.41 0.00 0.00 173.24 173.61 2wwl s ARG 79 N -4.59 1.49 0.32 12.44 0.52 -1.14 -4.97 118.95 123.02 2wwl s ARG 79 Ca 0.59 -1.33 0.09 0.00 -0.52 0.00 0.00 55.73 54.56 2wwl s ARG 79 Cb -0.07 0.44 0.53 0.00 0.52 0.00 0.00 34.95 36.36 2wwl s ARG 79 CO 0.37 -0.60 1.74 -1.35 0.02 0.00 0.00 175.30 175.47 2wwl h PRO 80 N 2.32 0.16 -0.65 3.54 0.11 -1.98 -2.46 132.00 133.02 2wwl h PRO 80 Ca -0.28 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2wwl h PRO 80 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wwl h PRO 80 CO 0.38 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 2wwl n GLY 81 N -0.25 2.32 2.66 -0.55 0.00 -1.26 -3.99 105.19 104.12 2wwl n GLY 81 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 2wwl n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wwl n LEU 82 N 0.65 -1.25 -4.75 0.99 7.94 -1.18 -5.14 117.00 114.26 2wwl n LEU 82 Ca 0.20 -1.93 -0.42 0.00 -1.11 0.00 0.00 56.01 52.75 2wwl n LEU 82 Cb 0.82 0.96 -0.01 0.00 0.53 0.00 0.00 43.42 45.72 2wwl n LEU 82 CO 0.21 1.54 1.11 -1.14 -1.11 0.00 0.00 177.39 178.00 2wwl n ARG 83 N 0.30 2.54 -3.85 1.96 3.00 -0.93 -2.89 116.66 116.79 2wwl n ARG 83 Ca -0.09 0.89 -0.09 0.00 -0.00 0.00 0.00 57.85 58.56 2wwl n ARG 83 Cb 0.74 -2.61 -0.07 0.00 0.00 0.00 0.00 32.46 30.52 2wwl n ARG 83 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2wwl s ILE 84 N -0.78 0.13 -0.12 5.15 -4.36 -1.26 -4.96 121.20 115.00 2wwl s ILE 84 Ca 0.57 -1.08 -0.13 0.00 -0.26 0.00 0.00 60.65 59.75 2wwl s ILE 84 Cb -0.51 -1.21 0.03 0.00 1.25 0.00 0.00 42.46 42.03 2wwl s ILE 84 CO 0.59 -0.60 0.36 -0.31 0.24 0.00 0.00 174.94 175.23 2wwl s TYR 85 N -3.47 -0.37 -0.05 1.37 1.51 -1.26 -4.33 117.35 110.75 2wwl s TYR 85 Ca 0.02 0.87 -0.01 0.00 -1.01 0.00 0.00 57.07 56.94 2wwl s TYR 85 Cb 0.03 0.13 0.03 0.00 -0.11 0.00 0.00 41.96 42.04 2wwl s TYR 85 CO -0.09 -0.23 0.01 0.15 -1.11 0.00 0.00 175.55 174.28 2wwl s LYS 86 N -0.07 0.35 1.10 -0.62 -0.14 -1.02 -4.95 119.74 114.39 2wwl s LYS 86 Ca -0.02 0.16 -0.18 0.00 -1.36 0.00 0.00 55.97 54.56 2wwl s LYS 86 Cb -0.03 -0.70 0.10 0.00 -1.68 0.00 0.00 37.83 35.52 2wwl s LYS 86 CO 0.01 -0.25 0.05 0.54 -0.76 0.00 0.00 175.35 174.94 2wwl n ARG 87 N 4.82 -1.46 -0.29 1.68 1.74 -1.26 -1.74 116.66 120.14 2wwl n ARG 87 Ca -0.13 -0.41 0.20 0.00 -0.77 0.00 0.00 57.85 56.75 2wwl n ARG 87 Cb 0.50 -1.72 0.50 0.00 -1.02 0.00 0.00 32.46 30.72 2wwl n ARG 87 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2wwl h LYS 88 N -2.01 0.41 0.00 5.56 3.64 -1.88 -2.53 116.57 119.76 2wwl h LYS 88 Ca -0.53 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2wwl h LYS 88 Cb 1.35 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2wwl h LYS 88 CO 0.38 0.27 -0.01 -0.25 -2.27 0.00 0.00 179.45 177.57 2wwl n ASP 89 N -4.57 1.73 -0.28 4.20 10.43 -1.26 -4.54 116.55 122.26 2wwl n ASP 89 Ca 0.22 -1.98 0.07 0.00 2.57 0.00 0.00 54.79 55.67 2wwl n ASP 89 Cb 0.77 -0.05 0.10 0.00 1.84 0.00 0.00 41.12 43.79 2wwl n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2wwl n GLU 90 N -0.52 0.87 -3.07 -1.24 1.02 -1.10 -5.00 120.64 111.59 2wwl n GLU 90 Ca 0.02 -2.12 -0.39 0.00 -0.02 0.00 0.00 57.16 54.64 2wwl n GLU 90 Cb 0.33 -1.16 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 2wwl n GLU 90 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wwl s LEU 91 N -1.93 4.36 0.48 -4.62 2.96 -0.97 -4.56 118.68 114.40 2wwl s LEU 91 Ca 0.23 1.23 -0.20 0.00 -0.22 0.00 0.00 54.13 55.16 2wwl s LEU 91 Cb 0.20 -3.07 -0.09 0.00 0.50 0.00 0.00 46.19 43.74 2wwl s LEU 91 CO 0.01 -0.04 1.01 -2.16 -1.32 0.00 0.00 176.35 173.85 2wwl s PRO 92 N 0.40 3.93 0.11 0.98 0.04 -1.26 -5.03 135.00 134.17 2wwl s PRO 92 Ca 0.36 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.48 2wwl s PRO 92 Cb -0.18 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 2wwl s PRO 92 CO 0.19 -0.31 0.56 0.21 0.04 0.00 0.00 177.00 177.69 2wwl s LYS 93 N -3.32 4.08 0.61 4.56 2.47 -1.26 -5.05 119.74 121.84 2wwl s LYS 93 Ca 0.65 0.61 -0.03 0.00 -1.56 0.00 0.00 55.97 55.64 2wwl s LYS 93 Cb -0.13 -3.07 0.04 0.00 -1.46 0.00 0.00 37.83 33.21 2wwl s LYS 93 CO 0.19 0.55 0.88 0.14 0.16 0.00 0.00 175.35 177.28 2wwl s VAL 94 N -1.30 2.60 0.00 4.02 -7.23 -1.26 -4.95 120.40 112.28 2wwl s VAL 94 Ca 0.34 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2wwl s VAL 94 Cb -0.17 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.72 2wwl s VAL 94 CO 0.19 -0.04 0.00 0.80 -0.31 0.00 0.00 175.10 175.74 2wwl n MET 95 N -2.59 0.00 0.00 4.82 0.00 -1.26 -4.43 117.12 113.65 2wwl n MET 95 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.78 2wwl n MET 95 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.82 2wwl n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2wwl n ALA 96 N 0.00 0.00 1.17 -5.12 0.00 -1.26 -2.99 120.51 112.31 2wwl n ALA 96 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2wwl n ALA 96 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 2wwl n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwl n GLY 97 N -2.33 0.33 0.33 0.00 0.00 -1.26 -3.78 105.19 98.48 2wwl n GLY 97 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.65 2wwl n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wwl n LEU 98 N 0.34 2.24 -4.81 0.99 7.99 -1.26 -5.04 117.00 117.46 2wwl n LEU 98 Ca 0.15 -1.71 -0.30 0.00 -0.01 0.00 0.00 56.01 54.14 2wwl n LEU 98 Cb 0.32 -0.09 0.08 0.00 -0.11 0.00 0.00 43.42 43.61 2wwl n LEU 98 CO 0.12 0.54 0.71 -0.83 -1.51 0.00 0.00 177.39 176.42 2wwl s GLY 99 N -0.86 1.64 -0.18 -0.72 0.00 -1.16 -4.97 107.32 101.07 2wwl s GLY 99 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 2wwl s GLY 99 CO 0.09 0.29 0.42 -0.42 0.00 0.00 0.00 173.10 173.47 2wwl s ILE 100 N -3.11 -0.26 -0.09 0.90 -1.09 -0.96 -4.92 121.20 111.67 2wwl s ILE 100 Ca 0.60 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 59.16 2wwl s ILE 100 Cb -0.14 -0.63 0.02 0.00 -1.58 0.00 0.00 42.46 40.12 2wwl s ILE 100 CO 0.55 0.05 -0.13 0.00 -1.23 0.00 0.00 174.94 174.18 2wwl s ALA 101 N 1.88 1.43 0.05 9.38 0.00 -1.26 -2.55 121.76 130.69 2wwl s ALA 101 Ca -0.06 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 2wwl s ALA 101 Cb -0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 23.12 22.22 2wwl s ALA 101 CO -0.13 -0.02 1.83 0.08 0.00 0.00 0.00 175.76 177.52 2wwl s VAL 102 N 0.92 2.96 -0.06 0.00 1.01 -1.07 -0.77 120.40 123.38 2wwl s VAL 102 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2wwl s VAL 102 Cb -0.15 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2wwl s VAL 102 CO 0.00 -0.01 -0.03 -0.69 0.00 0.00 0.00 175.10 174.37 2wwl s VAL 103 N 3.60 0.53 0.32 2.92 1.01 -1.09 -1.51 120.40 126.17 2wwl s VAL 103 Ca 0.82 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 2wwl s VAL 103 Cb -0.42 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.27 2wwl s VAL 103 CO 0.37 0.25 0.81 -0.55 0.00 0.00 0.00 175.10 175.98 2wwl s SER 104 N 1.36 6.97 0.12 3.32 0.15 0.77 0.04 113.70 126.45 2wwl s SER 104 Ca -0.04 1.49 0.01 0.00 0.70 0.00 0.00 55.95 58.10 2wwl s SER 104 Cb -0.13 -2.45 -0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2wwl s SER 104 CO -0.03 -0.15 0.15 0.35 1.20 0.00 0.00 173.24 174.77 2wwl n THR 105 N 0.03 0.00 0.20 6.45 -2.24 -0.72 -2.32 114.28 115.68 2wwl n THR 105 Ca 0.02 -0.73 0.11 0.00 -2.27 0.00 0.00 64.05 61.18 2wwl n THR 105 Cb 0.52 0.41 0.65 0.00 -2.10 0.00 0.00 70.33 69.81 2wwl n THR 105 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wwl h SER 106 N 0.72 0.00 -3.53 3.42 0.02 -1.99 -3.31 113.55 108.89 2wwl h SER 106 Ca -0.09 -0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.14 2wwl h SER 106 Cb 0.43 -0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.72 2wwl h SER 106 CO 0.13 0.00 -0.48 -0.75 -1.14 0.00 0.00 176.83 174.59 2wwl s LYS 107 N -5.06 2.80 0.77 3.45 2.20 -1.26 -5.05 119.74 117.58 2wwl s LYS 107 Ca -0.05 -1.18 0.00 0.00 -0.36 0.00 0.00 55.97 54.38 2wwl s LYS 107 Cb 0.18 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2wwl s LYS 107 CO 0.68 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 2wwl n GLY 108 N 5.01 -2.03 3.33 5.54 0.00 -1.25 -4.70 105.19 111.10 2wwl n GLY 108 Ca -0.11 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 2wwl n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwl s VAL 109 N -0.42 2.69 0.00 1.61 1.01 -1.26 -1.76 120.40 122.27 2wwl s VAL 109 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2wwl s VAL 109 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2wwl s VAL 109 CO 0.00 0.55 0.00 0.23 0.00 0.00 0.00 175.10 175.88 2wwl n MET 110 N 3.30 0.32 -3.48 2.72 2.00 0.11 -4.96 117.12 117.13 2wwl n MET 110 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.39 2wwl n MET 110 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.71 2wwl n MET 110 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2wwl s THR 111 N 3.31 0.01 0.16 2.03 -1.32 -1.14 -2.67 115.64 116.03 2wwl s THR 111 Ca 0.00 -0.08 -0.10 0.00 -1.21 0.00 0.00 61.69 60.30 2wwl s THR 111 Cb 0.00 -1.01 0.21 0.00 -1.51 0.00 0.00 72.50 70.19 2wwl s THR 111 CO 0.00 -0.04 1.04 -0.90 -2.21 0.00 0.00 174.62 172.50 2wwl n ASP 112 N 0.00 -0.37 0.14 8.08 5.75 0.05 -1.63 116.55 128.56 2wwl n ASP 112 Ca -0.18 1.16 -0.06 0.00 -0.01 0.00 0.00 54.79 55.71 2wwl n ASP 112 Cb 0.63 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 2wwl n ASP 112 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2wwl h ARG 113 N 0.00 -0.37 0.23 0.11 2.43 -1.94 -3.14 114.38 111.70 2wwl h ARG 113 Ca 0.26 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2wwl h ARG 113 Cb 0.43 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2wwl h ARG 113 CO -0.67 -0.25 -0.21 0.00 -1.51 0.00 0.00 179.97 177.34 2wwl h ALA 114 N -1.60 -0.94 -1.15 2.80 0.00 -1.95 -2.68 119.26 113.74 2wwl h ALA 114 Ca -0.04 -0.08 0.41 0.00 0.00 0.00 0.00 54.91 55.19 2wwl h ALA 114 Cb 0.29 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 2wwl h ALA 114 CO 0.06 -0.95 0.73 0.00 0.00 0.00 0.00 179.25 179.10 2wwl n ALA 115 N -2.46 1.15 -1.00 0.00 0.00 -0.65 -2.40 120.51 115.15 2wwl n ALA 115 Ca -0.05 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.15 2wwl n ALA 115 Cb 0.19 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2wwl n ALA 115 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wwl n ARG 116 N -4.48 0.00 0.00 0.00 0.63 -1.01 -2.58 116.66 109.23 2wwl n ARG 116 Ca 0.35 0.03 0.04 0.00 -0.92 0.00 0.00 57.85 57.35 2wwl n ARG 116 Cb 1.33 -0.67 0.23 0.00 0.45 0.00 0.00 32.46 33.80 2wwl n ARG 116 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wwl n GLN 117 N -0.20 0.14 0.00 -0.14 0.00 -1.25 -2.88 117.38 113.05 2wwl n GLN 117 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 57.00 57.19 2wwl n GLN 117 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 2wwl n GLN 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wwl n ALA 118 N -1.27 1.85 -1.03 2.61 0.00 -1.01 -4.80 120.51 116.87 2wwl n ALA 118 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 2wwl n ALA 118 Cb 0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 2wwl n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwl n GLY 119 N 0.07 0.48 3.17 0.00 0.00 -1.14 -4.99 105.19 102.78 2wwl n GLY 119 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 2wwl n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wwl s LEU 120 N -0.20 1.77 0.34 0.99 1.43 -1.06 -5.03 118.68 116.93 2wwl s LEU 120 Ca 0.00 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 2wwl s LEU 120 Cb 0.00 0.68 0.00 0.00 0.03 0.00 0.00 46.19 46.91 2wwl s LEU 120 CO 0.00 -0.70 0.47 -0.83 0.23 0.00 0.00 176.35 175.52 2wwl s GLY 121 N -2.91 1.50 0.00 -3.19 0.00 -1.26 -4.07 107.32 97.38 2wwl s GLY 121 Ca 0.09 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2wwl s GLY 121 CO -0.08 -1.00 0.00 0.61 0.00 0.00 0.00 173.10 172.63 2wwl n GLY 122 N -0.57 -0.93 3.65 0.20 0.00 -0.71 -4.34 105.19 102.50 2wwl n GLY 122 Ca 0.01 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2wwl n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wwl s GLU 123 N -1.29 4.04 -0.51 1.61 2.12 -0.98 -2.44 118.70 121.25 2wwl s GLU 123 Ca 0.00 2.54 -0.24 0.00 0.36 0.00 0.00 54.97 57.63 2wwl s GLU 123 Cb 0.00 -4.18 0.04 0.00 0.26 0.00 0.00 34.13 30.25 2wwl s GLU 123 CO 0.00 -1.07 0.89 -1.50 -0.54 0.00 0.00 175.26 173.04 2wwl s ILE 124 N 4.85 4.48 0.05 -3.70 2.07 -1.26 -0.16 121.20 127.52 2wwl s ILE 124 Ca 0.89 0.34 -0.17 0.00 -1.41 0.00 0.00 60.65 60.30 2wwl s ILE 124 Cb -0.41 -4.47 -0.17 0.00 0.13 0.00 0.00 42.46 37.54 2wwl s ILE 124 CO 0.41 -0.97 1.25 0.40 -1.91 0.00 0.00 174.94 174.11 2wwl h ILE 125 N 6.02 1.36 -2.16 2.00 2.04 -1.64 -3.37 117.51 121.75 2wwl h ILE 125 Ca -0.26 -1.79 0.19 0.00 1.00 0.00 0.00 64.86 64.01 2wwl h ILE 125 Cb 1.08 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 2wwl h ILE 125 CO 1.05 0.54 0.57 0.00 0.00 0.00 0.00 178.15 180.31 2wwl s TYR 127 N -2.65 -0.65 -0.00 0.00 -0.85 -1.17 -2.61 117.35 109.41 2wwl s TYR 127 Ca 0.20 1.12 0.00 0.00 -0.52 0.00 0.00 57.07 57.87 2wwl s TYR 127 Cb -0.01 0.41 -0.00 0.00 0.38 0.00 0.00 41.96 42.73 2wwl s TYR 127 CO 0.02 -0.61 0.01 1.33 -1.52 0.00 0.00 175.55 174.78 2wwl n VAL 128 N 0.91 0.00 -1.15 -3.49 0.24 -1.07 -2.85 118.33 110.92 2wwl n VAL 128 Ca -0.19 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2wwl n VAL 128 Cb 0.57 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 2wwl n VAL 128 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69