#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk n LEU 2 N 0.00 -7.22 0.14 3.17 4.77 -1.26 -4.95 117.00 111.65 2wdk n LEU 2 Ca 0.00 1.09 -0.13 0.00 -0.03 0.00 0.00 56.01 56.93 2wdk n LEU 2 Cb 0.00 -3.05 -0.08 0.00 -2.33 0.00 0.00 43.42 37.96 2wdk n LEU 2 CO 0.00 -2.65 0.61 0.71 -1.33 0.00 0.00 177.39 174.73 2wdk h THR 3 N 2.46 0.78 -3.18 -5.08 1.35 -2.06 -3.40 112.91 103.77 2wdk h THR 3 Ca 0.00 -0.52 -0.59 0.00 -0.55 0.00 0.00 66.41 64.75 2wdk h THR 3 Cb 0.18 1.06 -0.40 0.00 -1.73 0.00 0.00 68.15 67.26 2wdk h THR 3 CO 0.10 0.11 -0.75 -0.62 -0.25 0.00 0.00 175.52 174.11 2wdk s ASP 4 N -5.09 4.06 0.18 5.36 -1.08 -1.26 -5.01 116.67 113.83 2wdk s ASP 4 Ca -0.15 -1.66 -0.13 0.00 -0.52 0.00 0.00 52.55 50.10 2wdk s ASP 4 Cb 0.03 -0.90 0.16 0.00 -1.46 0.00 0.00 42.92 40.75 2wdk s ASP 4 CO 0.58 -0.41 1.77 -0.65 0.52 0.00 0.00 175.17 176.98 2wdk h PRO 5 N 8.06 0.41 0.32 4.34 0.11 -1.97 -1.83 132.00 141.44 2wdk h PRO 5 Ca -0.13 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 2wdk h PRO 5 Cb 1.02 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2wdk h PRO 5 CO 0.47 0.27 -0.19 0.82 -0.21 0.00 0.00 178.00 179.17 2wdk h ILE 6 N 0.42 0.00 -1.38 4.15 5.03 -1.99 0.18 117.51 123.93 2wdk h ILE 6 Ca 0.24 0.00 0.40 0.00 -0.12 0.00 0.00 64.86 65.38 2wdk h ILE 6 Cb 0.21 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 33.94 2wdk h ILE 6 CO -0.21 0.00 0.99 0.00 -0.68 0.00 0.00 178.15 178.25 2wdk h ALA 7 N -1.65 3.26 0.64 1.87 0.00 -1.95 0.44 119.26 121.86 2wdk h ALA 7 Ca -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2wdk h ALA 7 Cb 0.38 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2wdk h ALA 7 CO 0.05 -1.67 -0.31 0.22 0.00 0.00 0.00 179.25 177.55 2wdk h ASP 8 N 0.02 -0.73 -0.88 0.00 3.58 -0.64 -2.20 116.42 115.57 2wdk h ASP 8 Ca 0.67 0.03 0.19 0.00 0.42 0.00 0.00 57.03 58.33 2wdk h ASP 8 Cb 2.62 0.19 -0.16 0.00 1.72 0.00 0.00 39.33 43.69 2wdk h ASP 8 CO -0.04 -0.34 -0.16 -0.03 -2.88 0.00 0.00 179.24 175.80 2wdk h MET 9 N -1.22 0.01 -0.28 0.28 4.05 0.29 0.81 114.93 118.87 2wdk h MET 9 Ca -0.09 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2wdk h MET 9 Cb 0.66 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 2wdk h MET 9 CO 0.14 0.01 0.18 -0.07 0.23 0.00 0.00 176.91 177.40 2wdk h LEU 10 N 0.01 0.33 -0.92 3.39 3.38 -1.28 -0.04 115.31 120.18 2wdk h LEU 10 Ca 0.44 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.29 2wdk h LEU 10 Cb 0.73 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2wdk h LEU 10 CO -0.88 0.25 -0.33 0.74 0.09 0.00 0.00 178.44 178.32 2wdk h THR 11 N 0.37 1.28 -0.69 0.22 2.02 0.02 0.14 112.91 116.27 2wdk h THR 11 Ca 0.10 -1.38 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 2wdk h THR 11 Cb -0.02 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2wdk h THR 11 CO -0.02 0.43 0.28 -0.09 0.37 0.00 0.00 175.52 176.48 2wdk h ARG 12 N 0.34 1.04 0.38 6.66 2.43 0.94 -2.45 114.38 123.71 2wdk h ARG 12 Ca 0.04 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 2wdk h ARG 12 Cb 0.74 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2wdk h ARG 12 CO 0.06 0.86 -0.18 0.82 -1.51 0.00 0.00 179.97 180.02 2wdk h ILE 13 N 0.99 0.36 -1.26 1.20 2.04 -0.73 -3.09 117.51 117.03 2wdk h ILE 13 Ca 0.23 -0.67 0.37 0.00 1.00 0.00 0.00 64.86 65.78 2wdk h ILE 13 Cb 0.21 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2wdk h ILE 13 CO -0.02 0.08 1.14 -0.09 0.00 0.00 0.00 178.15 179.26 2wdk h ARG 14 N -1.01 0.00 0.02 2.37 2.43 -0.66 0.22 114.38 117.75 2wdk h ARG 14 Ca -0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wdk h ARG 14 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2wdk h ARG 14 CO 0.09 0.00 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.63 2wdk h ASN 15 N 0.00 -0.02 -0.32 -3.80 2.35 -1.39 -3.17 115.58 109.22 2wdk h ASN 15 Ca 0.60 -0.67 0.07 0.00 -0.55 0.00 0.00 56.30 55.75 2wdk h ASN 15 Cb 2.88 0.01 -0.08 0.00 0.05 0.00 0.00 38.32 41.17 2wdk h ASN 15 CO -0.01 0.79 -0.37 0.00 -1.65 0.00 0.00 177.43 176.19 2wdk h ALA 16 N -0.25 -0.34 -1.00 -0.83 0.00 -0.50 -0.80 119.26 115.54 2wdk h ALA 16 Ca -0.00 0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.19 2wdk h ALA 16 Cb 0.69 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2wdk h ALA 16 CO 0.00 -0.81 0.62 1.79 0.00 0.00 0.00 179.25 180.86 2wdk h THR 17 N -0.33 0.64 0.00 0.00 1.35 -1.56 -0.63 112.91 112.38 2wdk h THR 17 Ca 0.14 -0.20 -0.06 0.00 -0.55 0.00 0.00 66.41 65.73 2wdk h THR 17 Cb 0.57 -0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.97 2wdk h THR 17 CO -0.50 0.11 -0.29 0.03 -0.25 0.00 0.00 175.52 174.61 2wdk h ARG 18 N 0.59 0.00 -0.02 4.72 -0.00 -1.11 -2.14 114.38 116.42 2wdk h ARG 18 Ca 0.57 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.05 2wdk h ARG 18 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.10 2wdk h ARG 18 CO -0.33 0.29 -0.38 1.33 0.00 0.00 0.00 179.97 180.88 2wdk n VAL 19 N -4.10 0.00 -2.74 2.04 0.24 -0.55 -4.99 118.33 108.23 2wdk n VAL 19 Ca -0.02 -0.31 -0.06 0.00 -2.04 0.00 0.00 64.34 61.91 2wdk n VAL 19 Cb 0.35 1.29 0.03 0.00 -1.47 0.00 0.00 33.84 34.03 2wdk n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2wdk n TYR 20 N 0.25 -2.01 -3.07 6.34 4.01 -0.35 -5.05 117.16 117.28 2wdk n TYR 20 Ca 0.10 0.73 -0.18 0.00 -0.16 0.00 0.00 57.90 58.40 2wdk n TYR 20 Cb 0.49 -3.59 0.01 0.00 -0.31 0.00 0.00 39.34 35.94 2wdk n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2wdk s LYS 21 N -3.57 2.72 0.00 -0.72 2.20 -0.98 -5.02 119.74 114.37 2wdk s LYS 21 Ca 0.19 -1.33 -0.03 0.00 -0.36 0.00 0.00 55.97 54.44 2wdk s LYS 21 Cb -0.02 -2.70 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2wdk s LYS 21 CO 0.55 -0.35 0.68 1.49 -0.36 0.00 0.00 175.35 177.36 2wdk h GLU 22 N 0.61 -0.09 -2.98 4.03 4.57 -1.95 -3.44 114.58 115.32 2wdk h GLU 22 Ca -0.39 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 57.71 2wdk h GLU 22 Cb 1.28 0.02 -0.18 0.00 -0.16 0.00 0.00 28.75 29.71 2wdk h GLU 22 CO 0.46 -0.06 -0.15 -1.54 -1.18 0.00 0.00 179.01 176.53 2wdk s SER 23 N -2.60 -0.26 0.39 1.04 1.04 -1.26 -2.28 113.70 109.77 2wdk s SER 23 Ca -0.01 0.06 0.08 0.00 0.48 0.00 0.00 55.95 56.55 2wdk s SER 23 Cb 0.00 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 2wdk s SER 23 CO 0.04 -0.59 0.14 -0.89 0.98 0.00 0.00 173.24 172.92 2wdk s THR 24 N -2.02 2.47 0.19 2.02 2.01 -1.15 -4.91 115.64 114.24 2wdk s THR 24 Ca -0.08 -1.76 0.04 0.00 0.31 0.00 0.00 61.69 60.20 2wdk s THR 24 Cb -0.02 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 2wdk s THR 24 CO 0.01 -0.07 -0.06 -1.81 -0.69 0.00 0.00 174.62 172.00 2wdk s ASP 25 N -3.85 1.86 -0.04 3.53 1.11 -1.26 -1.06 116.67 116.95 2wdk s ASP 25 Ca 0.39 -1.10 -0.18 0.00 0.18 0.00 0.00 52.55 51.84 2wdk s ASP 25 Cb 0.02 -0.01 0.04 0.00 1.07 0.00 0.00 42.92 44.04 2wdk s ASP 25 CO 0.22 -0.40 0.40 0.54 1.18 0.00 0.00 175.17 177.11 2wdk s VAL 26 N -3.34 0.04 0.01 -1.27 0.11 -1.18 -4.91 120.40 109.86 2wdk s VAL 26 Ca 0.22 -0.32 -0.34 0.00 -2.93 0.00 0.00 61.98 58.61 2wdk s VAL 26 Cb 0.04 -0.70 -0.13 0.00 -1.53 0.00 0.00 36.38 34.06 2wdk s VAL 26 CO 0.04 -0.17 1.76 -2.65 -3.33 0.00 0.00 175.10 170.74 2wdk n PRO 27 N 1.38 2.15 -1.59 1.54 -0.02 -1.26 -0.72 135.00 136.48 2wdk n PRO 27 Ca -0.20 0.78 -0.44 0.00 -2.02 0.00 0.00 63.50 61.62 2wdk n PRO 27 Cb 0.56 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 2wdk n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdk n ALA 28 N 5.32 -0.19 -3.54 3.55 0.00 -0.62 -4.85 120.51 120.17 2wdk n ALA 28 Ca 0.20 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2wdk n ALA 28 Cb 0.29 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.68 2wdk n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdk s SER 29 N -0.59 -0.91 0.25 0.00 0.15 -1.26 -4.96 113.70 106.38 2wdk s SER 29 Ca 0.59 1.25 -0.13 0.00 0.70 0.00 0.00 55.95 58.36 2wdk s SER 29 Cb -0.68 2.04 0.33 0.00 -1.71 0.00 0.00 66.02 66.01 2wdk s SER 29 CO 0.60 -0.17 1.57 -0.09 1.20 0.00 0.00 173.24 176.34 2wdk h ARG 30 N 7.79 -0.02 -0.16 5.44 2.43 -2.00 1.11 114.38 128.97 2wdk h ARG 30 Ca -0.17 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 2wdk h ARG 30 Cb 1.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2wdk h ARG 30 CO 0.09 -0.01 -0.10 0.35 -1.51 0.00 0.00 179.97 178.79 2wdk h PHE 31 N -0.02 0.26 -0.05 2.20 3.57 -1.99 -2.24 116.94 118.66 2wdk h PHE 31 Ca 0.39 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 2wdk h PHE 31 Cb 0.64 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2wdk h PHE 31 CO -0.75 0.36 -0.10 0.87 -2.23 0.00 0.00 178.31 176.45 2wdk h LYS 32 N 0.24 0.17 -0.95 1.11 1.57 0.73 -3.11 116.57 116.34 2wdk h LYS 32 Ca 0.05 -0.11 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2wdk h LYS 32 Cb 0.33 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.56 2wdk h LYS 32 CO 0.02 0.68 0.57 0.93 -0.57 0.00 0.00 179.45 181.08 2wdk h GLU 33 N -0.33 0.82 -0.49 3.15 5.08 -0.60 0.21 114.58 122.42 2wdk h GLU 33 Ca 0.00 -0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2wdk h GLU 33 Cb 0.68 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2wdk h GLU 33 CO 0.02 0.54 0.37 0.93 -1.00 0.00 0.00 179.01 179.87 2wdk h GLU 34 N 0.84 0.00 0.01 2.33 4.39 -1.34 0.23 114.58 121.05 2wdk h GLU 34 Ca 0.50 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.20 2wdk h GLU 34 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2wdk h GLU 34 CO -0.31 0.00 -0.01 0.82 -1.16 0.00 0.00 179.01 178.35 2wdk h ILE 35 N 0.00 0.41 -0.91 3.13 2.04 -0.56 -3.30 117.51 118.32 2wdk h ILE 35 Ca 0.23 -1.29 0.15 0.00 1.00 0.00 0.00 64.86 64.96 2wdk h ILE 35 Cb 0.97 0.77 -0.10 0.00 -0.74 0.00 0.00 36.82 37.72 2wdk h ILE 35 CO -0.00 0.14 0.50 -0.07 0.00 0.00 0.00 178.15 178.72 2wdk h LEU 36 N -1.00 0.64 -1.23 1.44 3.38 -1.14 0.29 115.31 117.70 2wdk h LEU 36 Ca -0.00 0.09 0.26 0.00 0.09 0.00 0.00 57.88 58.32 2wdk h LEU 36 Cb 0.24 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 2wdk h LEU 36 CO 0.00 0.27 0.65 -0.09 0.09 0.00 0.00 178.44 179.36 2wdk h ARG 37 N 0.71 0.45 0.00 1.13 2.43 -0.67 0.40 114.38 118.83 2wdk h ARG 37 Ca 0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2wdk h ARG 37 Cb 0.69 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2wdk h ARG 37 CO -0.35 0.29 -0.75 0.82 -1.51 0.00 0.00 179.97 178.48 2wdk h ILE 38 N 0.46 0.00 0.00 1.20 2.04 -0.54 -1.42 117.51 119.25 2wdk h ILE 38 Ca 0.62 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2wdk h ILE 38 Cb 1.42 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2wdk h ILE 38 CO -0.37 0.00 -0.40 -0.07 0.00 0.00 0.00 178.15 177.31 2wdk h LEU 39 N 0.00 0.00 0.00 1.44 -0.00 0.80 -2.66 115.31 114.89 2wdk h LEU 39 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 2wdk h LEU 39 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2wdk h LEU 39 CO 0.00 0.40 -0.53 0.00 -0.00 0.00 0.00 178.44 178.31 2wdk h ALA 40 N 1.60 0.08 0.00 1.53 0.00 -1.22 0.26 119.26 121.50 2wdk h ALA 40 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2wdk h ALA 40 Cb 1.02 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2wdk h ALA 40 CO 0.05 0.37 0.04 -2.13 0.00 0.00 0.00 179.25 177.58 2wdk n ARG 41 N -4.59 0.00 0.00 0.00 0.63 -0.54 0.11 116.66 112.27 2wdk n ARG 41 Ca -0.14 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2wdk n ARG 41 Cb 0.37 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.74 2wdk n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wdk n GLU 42 N -0.96 1.03 -2.89 -0.14 -0.58 -1.00 -5.01 120.64 111.07 2wdk n GLU 42 Ca 0.00 -0.86 -0.11 0.00 -0.42 0.00 0.00 57.16 55.76 2wdk n GLU 42 Cb 0.04 -0.84 0.06 0.00 -0.57 0.00 0.00 31.44 30.14 2wdk n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdk n GLY 43 N -0.21 -0.24 0.00 0.62 0.00 0.31 -4.96 105.19 100.70 2wdk n GLY 43 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wdk n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdk n PHE 44 N -3.01 0.00 -3.57 1.61 3.72 0.90 -5.02 117.46 112.10 2wdk n PHE 44 Ca -0.15 -0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.13 2wdk n PHE 44 Cb 0.61 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.10 2wdk n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2wdk s ILE 45 N -0.00 0.00 -1.81 4.37 -4.36 -1.23 -4.12 121.20 114.05 2wdk s ILE 45 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 60.65 60.45 2wdk s ILE 45 Cb 0.00 -1.00 0.15 0.00 1.25 0.00 0.00 42.46 42.86 2wdk s ILE 45 CO 0.00 0.00 0.89 0.29 0.24 0.00 0.00 174.94 176.36 2wdk n LYS 46 N 0.69 0.15 0.00 0.37 5.02 -0.65 -4.64 118.16 119.11 2wdk n LYS 46 Ca -0.11 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2wdk n LYS 46 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2wdk n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdk n GLY 47 N -0.68 0.25 0.00 0.72 0.00 -1.22 -4.95 105.19 99.31 2wdk n GLY 47 Ca 0.04 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2wdk n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wdk n TYR 48 N 0.00 -0.48 -3.65 1.61 0.18 -1.26 -1.79 117.16 111.77 2wdk n TYR 48 Ca 0.00 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.74 2wdk n TYR 48 Cb 0.00 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 38.89 2wdk n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2wdk s GLU 49 N -1.92 0.13 0.63 -3.48 -1.05 -0.75 -4.98 118.70 107.28 2wdk s GLU 49 Ca 0.00 0.16 -0.18 0.00 -0.15 0.00 0.00 54.97 54.79 2wdk s GLU 49 Cb 0.00 0.06 -0.02 0.00 -0.44 0.00 0.00 34.13 33.73 2wdk s GLU 49 CO 0.00 -0.02 1.21 0.54 0.95 0.00 0.00 175.26 177.95 2wdk n ARG 50 N 1.73 1.08 -2.62 -4.83 1.74 -1.26 -1.79 116.66 110.70 2wdk n ARG 50 Ca -0.11 0.42 -0.06 0.00 -0.77 0.00 0.00 57.85 57.33 2wdk n ARG 50 Cb 0.57 -2.44 -0.00 0.00 -1.02 0.00 0.00 32.46 29.56 2wdk n ARG 50 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2wdk n VAL 51 N -1.84 0.00 -3.99 1.55 0.24 -1.13 -4.81 118.33 108.34 2wdk n VAL 51 Ca 0.15 -0.72 -0.10 0.00 -2.04 0.00 0.00 64.34 61.63 2wdk n VAL 51 Cb 0.48 0.54 -0.11 0.00 -1.47 0.00 0.00 33.84 33.27 2wdk n VAL 51 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2wdk s ASP 52 N -2.09 0.34 -0.39 -1.34 1.11 -1.26 -1.80 116.67 111.24 2wdk s ASP 52 Ca 0.12 -0.48 0.03 0.00 0.18 0.00 0.00 52.55 52.40 2wdk s ASP 52 Cb -0.01 0.08 0.16 0.00 1.07 0.00 0.00 42.92 44.22 2wdk s ASP 52 CO 0.09 -0.26 0.39 -0.69 1.18 0.00 0.00 175.17 175.87 2wdk s VAL 53 N -1.35 -0.25 -0.13 -1.27 1.01 -0.63 -4.89 120.40 112.89 2wdk s VAL 53 Ca -0.14 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 60.56 2wdk s VAL 53 Cb -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2wdk s VAL 53 CO -0.01 -0.66 0.11 0.47 0.00 0.00 0.00 175.10 175.01 2wdk n ASP 54 N 3.92 -2.21 -1.39 3.32 8.00 -1.26 -3.38 116.55 123.55 2wdk n ASP 54 Ca 0.14 -0.06 -0.16 0.00 0.71 0.00 0.00 54.79 55.43 2wdk n ASP 54 Cb 0.46 -0.95 -0.05 0.00 -0.02 0.00 0.00 41.12 40.55 2wdk n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdk n GLY 55 N -0.84 1.14 2.92 0.44 0.00 -1.26 -4.97 105.19 102.63 2wdk n GLY 55 Ca -0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2wdk n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdk s LYS 56 N -3.72 1.54 0.17 1.61 1.02 -1.22 -5.12 119.74 114.02 2wdk s LYS 56 Ca 0.00 -0.84 -0.33 0.00 0.02 0.00 0.00 55.97 54.82 2wdk s LYS 56 Cb 0.00 -2.43 -0.15 0.00 -0.52 0.00 0.00 37.83 34.73 2wdk s LYS 56 CO 0.00 -0.56 1.35 -0.35 -0.92 0.00 0.00 175.35 174.87 2wdk n PRO 57 N 4.74 1.58 -1.42 -1.68 -0.04 -1.26 -1.60 135.00 135.32 2wdk n PRO 57 Ca -0.12 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2wdk n PRO 57 Cb 0.45 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2wdk n PRO 57 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wdk n TYR 58 N 2.21 0.00 -3.33 0.54 4.02 -0.74 -1.60 117.16 118.26 2wdk n TYR 58 Ca 0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.92 2wdk n TYR 58 Cb 0.26 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.51 2wdk n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2wdk s LEU 59 N 0.00 -0.57 -0.02 7.72 1.43 0.10 -2.85 118.68 124.49 2wdk s LEU 59 Ca 0.00 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 2wdk s LEU 59 Cb 0.00 0.91 -0.06 0.00 0.03 0.00 0.00 46.19 47.06 2wdk s LEU 59 CO 0.00 -0.34 1.62 -0.13 0.23 0.00 0.00 176.35 177.73 2wdk s ARG 60 N 2.32 4.20 -0.33 1.70 1.81 -0.74 -3.10 118.95 124.81 2wdk s ARG 60 Ca 0.11 2.20 -0.02 0.00 -1.72 0.00 0.00 55.73 56.30 2wdk s ARG 60 Cb -0.13 -3.84 0.07 0.00 -0.45 0.00 0.00 34.95 30.60 2wdk s ARG 60 CO -0.27 -0.79 0.06 0.08 -0.68 0.00 0.00 175.30 173.71 2wdk s VAL 61 N 3.50 3.02 -0.30 3.52 1.01 -0.23 -1.81 120.40 129.12 2wdk s VAL 61 Ca 0.72 -1.64 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 2wdk s VAL 61 Cb -0.35 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2wdk s VAL 61 CO 0.30 -0.31 1.03 -0.31 0.00 0.00 0.00 175.10 175.81 2wdk s TYR 62 N 1.20 3.20 0.53 5.22 2.02 -0.74 -2.91 117.35 125.86 2wdk s TYR 62 Ca -0.00 1.22 -0.10 0.00 -0.37 0.00 0.00 57.07 57.82 2wdk s TYR 62 Cb -0.21 -3.53 -0.05 0.00 -0.40 0.00 0.00 41.96 37.78 2wdk s TYR 62 CO -0.02 -0.67 0.91 -0.51 -1.57 0.00 0.00 175.55 173.68 2wdk s LEU 63 N 3.46 3.51 -0.02 -1.29 2.01 -0.96 -1.64 118.68 123.75 2wdk s LEU 63 Ca 0.43 1.25 0.07 0.00 0.01 0.00 0.00 54.13 55.90 2wdk s LEU 63 Cb -0.13 -4.23 -0.02 0.00 0.01 0.00 0.00 46.19 41.82 2wdk s LEU 63 CO 0.13 -0.66 -0.24 -0.75 1.01 0.00 0.00 176.35 175.84 2wdk s LYS 64 N -4.64 1.96 0.00 1.70 2.20 -1.26 -4.38 119.74 115.32 2wdk s LYS 64 Ca 0.53 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 2wdk s LYS 64 Cb -0.10 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 2wdk s LYS 64 CO 0.44 0.52 0.00 0.66 -0.36 0.00 0.00 175.35 176.61 2wdk n TYR 65 N 2.47 0.00 -2.44 4.03 4.02 -1.26 -3.82 117.16 120.16 2wdk n TYR 65 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2wdk n TYR 65 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2wdk n TYR 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdk n GLY 66 N 4.22 3.94 3.71 2.72 0.00 -0.83 -3.78 105.19 115.16 2wdk n GLY 66 Ca 0.00 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 2wdk n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wdk s PRO 67 N 0.97 4.27 0.21 1.61 0.04 -1.26 -4.83 135.00 136.01 2wdk s PRO 67 Ca 0.00 0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 2wdk s PRO 67 Cb 0.00 -3.47 -0.16 0.00 0.04 0.00 0.00 34.50 30.91 2wdk s PRO 67 CO 0.00 0.10 0.84 -2.13 0.04 0.00 0.00 177.00 175.85 2wdk n ARG 68 N 3.93 0.67 -3.71 4.56 0.63 -1.26 -4.32 116.66 117.17 2wdk n ARG 68 Ca -0.08 0.24 -0.21 0.00 -0.92 0.00 0.00 57.85 56.88 2wdk n ARG 68 Cb 0.51 -1.48 -0.03 0.00 0.45 0.00 0.00 32.46 31.91 2wdk n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2wdk s ARG 69 N -1.02 2.78 0.49 -0.14 0.52 -1.26 -4.92 118.95 115.41 2wdk s ARG 69 Ca 0.66 -1.26 -0.01 0.00 -0.52 0.00 0.00 55.73 54.60 2wdk s ARG 69 Cb -0.86 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.08 2wdk s ARG 69 CO 0.57 0.05 0.73 -0.65 0.02 0.00 0.00 175.30 176.02 2wdk s GLN 70 N -4.05 2.96 0.90 3.54 -1.52 -1.26 -4.48 119.66 115.74 2wdk s GLN 70 Ca 0.43 -0.45 0.00 0.00 -1.95 0.00 0.00 55.36 53.39 2wdk s GLN 70 Cb -0.06 -2.50 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 2wdk s GLN 70 CO 0.28 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.32 2wdk n GLY 71 N -2.20 -1.91 3.62 3.09 0.00 -1.26 -4.75 105.19 101.77 2wdk n GLY 71 Ca 0.03 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 2wdk n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdk n PRO 72 N -0.95 0.99 -3.04 1.61 -0.02 -1.26 -3.75 135.00 128.57 2wdk n PRO 72 Ca 0.00 0.38 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 2wdk n PRO 72 Cb 0.06 -2.17 0.01 0.00 -0.02 0.00 0.00 33.50 31.37 2wdk n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wdk n ASP 73 N -0.63 -7.52 -2.76 2.55 4.64 -1.26 -4.85 116.55 106.73 2wdk n ASP 73 Ca 0.13 0.15 -0.29 0.00 -1.38 0.00 0.00 54.79 53.40 2wdk n ASP 73 Cb 0.46 -4.84 -0.06 0.00 -1.04 0.00 0.00 41.12 35.64 2wdk n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wdk n PRO 74 N -1.01 3.09 -3.59 -0.67 -0.04 -1.25 -4.87 135.00 126.66 2wdk n PRO 74 Ca 0.03 -2.39 -0.38 0.00 -0.04 0.00 0.00 63.50 60.72 2wdk n PRO 74 Cb 0.51 -2.33 -0.11 0.00 -0.04 0.00 0.00 33.50 31.53 2wdk n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wdk s ARG 75 N -0.62 3.88 -0.16 0.54 0.52 -1.26 -4.11 118.95 117.74 2wdk s ARG 75 Ca 0.60 -0.37 -0.38 0.00 -0.52 0.00 0.00 55.73 55.07 2wdk s ARG 75 Cb 0.29 -3.66 -0.14 0.00 0.52 0.00 0.00 34.95 31.96 2wdk s ARG 75 CO -0.13 -0.21 1.74 -0.35 0.02 0.00 0.00 175.30 176.36 2wdk n PRO 76 N 5.06 1.51 -0.72 3.54 -0.04 -1.26 -4.59 135.00 138.49 2wdk n PRO 76 Ca -0.14 0.55 -0.33 0.00 -0.04 0.00 0.00 63.50 63.55 2wdk n PRO 76 Cb 0.52 -2.28 0.15 0.00 -0.04 0.00 0.00 33.50 31.84 2wdk n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wdk n GLU 77 N 5.36 -1.06 -4.27 0.54 2.13 -1.26 -4.52 120.64 117.56 2wdk n GLU 77 Ca 0.24 -0.28 -0.24 0.00 0.66 0.00 0.00 57.16 57.54 2wdk n GLU 77 Cb 0.19 -1.77 -0.08 0.00 0.27 0.00 0.00 31.44 30.06 2wdk n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2wdk s GLN 78 N -3.53 2.29 0.11 5.31 -0.21 -1.26 -1.97 119.66 120.39 2wdk s GLN 78 Ca 0.56 -1.32 -0.06 0.00 0.02 0.00 0.00 55.36 54.57 2wdk s GLN 78 Cb -0.16 -2.21 -0.15 0.00 1.00 0.00 0.00 33.01 31.49 2wdk s GLN 78 CO 0.67 0.40 1.25 0.28 -2.12 0.00 0.00 175.29 175.76 2wdk h VAL 79 N 2.16 1.40 -3.37 1.09 2.07 -1.66 -3.39 116.25 114.55 2wdk h VAL 79 Ca -0.45 -2.56 -0.65 0.00 0.82 0.00 0.00 66.70 63.86 2wdk h VAL 79 Cb 1.23 2.54 -0.40 0.00 -1.52 0.00 0.00 31.29 33.15 2wdk h VAL 79 CO 0.59 0.76 -0.53 -0.63 0.02 0.00 0.00 177.57 177.78 2wdk s ILE 80 N -3.12 2.99 -0.44 4.57 1.01 -1.26 -4.85 121.20 120.09 2wdk s ILE 80 Ca -0.06 -3.44 0.04 0.00 0.00 0.00 0.00 60.65 57.19 2wdk s ILE 80 Cb 0.08 -3.00 0.65 0.00 0.01 0.00 0.00 42.46 40.19 2wdk s ILE 80 CO 0.88 -0.87 1.88 0.00 0.00 0.00 0.00 174.94 176.83 2wdk n HIS 81 N 2.95 2.88 0.00 3.97 1.44 -0.82 -4.79 115.22 120.84 2wdk n HIS 81 Ca 0.09 -1.86 0.00 0.00 -2.01 0.00 0.00 57.72 53.94 2wdk n HIS 81 Cb 0.34 -0.92 0.00 0.00 0.12 0.00 0.00 29.99 29.53 2wdk n HIS 81 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2wdk n HIS 82 N -1.14 0.00 -3.91 -1.40 -0.00 -0.91 -4.99 115.22 102.86 2wdk n HIS 82 Ca 0.57 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.95 2wdk n HIS 82 Cb 1.58 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 31.44 2wdk n HIS 82 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 2wdk s ILE 83 N 0.00 2.82 -0.03 3.57 2.07 -1.26 -2.40 121.20 125.96 2wdk s ILE 83 Ca 0.00 -1.82 0.04 0.00 -1.41 0.00 0.00 60.65 57.46 2wdk s ILE 83 Cb 0.00 -2.81 -0.03 0.00 0.13 0.00 0.00 42.46 39.75 2wdk s ILE 83 CO 0.00 -0.37 -0.12 -0.60 -1.91 0.00 0.00 174.94 171.94 2wdk s ARG 84 N 1.13 2.49 -0.00 3.50 3.52 -0.92 -4.85 118.95 123.82 2wdk s ARG 84 Ca 0.02 -0.71 -0.24 0.00 -0.13 0.00 0.00 55.73 54.66 2wdk s ARG 84 Cb -0.20 -2.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 2wdk s ARG 84 CO -0.04 0.62 0.73 0.50 -0.81 0.00 0.00 175.30 176.30 2wdk s ARG 85 N -0.95 4.46 -0.01 5.12 3.00 -1.26 -2.52 118.95 126.79 2wdk s ARG 85 Ca 0.13 0.98 -0.01 0.00 -1.00 0.00 0.00 55.73 55.83 2wdk s ARG 85 Cb -0.11 -3.40 -0.00 0.00 0.00 0.00 0.00 34.95 31.44 2wdk s ARG 85 CO 0.02 0.19 -0.01 -0.89 0.00 0.00 0.00 175.30 174.61 2wdk n ILE 86 N 3.22 0.09 -2.34 4.11 2.08 -1.20 -4.85 119.36 120.47 2wdk n ILE 86 Ca -0.02 0.33 -0.36 0.00 0.56 0.00 0.00 62.75 63.26 2wdk n ILE 86 Cb 0.51 -1.38 -0.03 0.00 -0.75 0.00 0.00 39.64 37.98 2wdk n ILE 86 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2wdk s SER 87 N -4.43 5.96 0.75 4.38 0.15 -0.80 -4.78 113.70 114.92 2wdk s SER 87 Ca -0.01 -1.78 -0.12 0.00 0.70 0.00 0.00 55.95 54.74 2wdk s SER 87 Cb 0.00 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.77 2wdk s SER 87 CO 0.02 -2.07 1.11 -0.54 1.20 0.00 0.00 173.24 172.96 2wdk s LYS 88 N 5.47 2.50 0.00 5.44 1.02 -1.24 -4.76 119.74 128.17 2wdk s LYS 88 Ca 0.60 0.47 0.26 0.00 0.02 0.00 0.00 55.97 57.31 2wdk s LYS 88 Cb 0.00 -1.98 1.42 0.00 -0.52 0.00 0.00 37.83 36.76 2wdk s LYS 88 CO 0.05 -1.29 1.89 -0.35 -0.92 0.00 0.00 175.35 174.73 2wdk n PRO 89 N -3.18 0.59 0.00 -1.68 -0.04 -1.26 -2.42 135.00 127.01 2wdk n PRO 89 Ca 0.07 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 2wdk n PRO 89 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 2wdk n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdk n GLY 90 N 0.75 -0.75 2.79 0.55 0.00 -1.26 -4.76 105.19 102.50 2wdk n GLY 90 Ca 0.16 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 2wdk n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdk s ARG 91 N -2.86 0.36 0.63 1.61 3.00 -1.01 -5.15 118.95 115.53 2wdk s ARG 91 Ca 0.11 -0.23 -0.17 0.00 -1.00 0.00 0.00 55.73 54.43 2wdk s ARG 91 Cb 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 34.95 35.07 2wdk s ARG 91 CO 0.78 -0.48 0.65 0.54 0.00 0.00 0.00 175.30 176.79 2wdk n ARG 92 N 3.34 0.53 -3.81 5.12 5.12 -1.10 -3.67 116.66 122.19 2wdk n ARG 92 Ca 0.09 0.22 -0.30 0.00 -1.93 0.00 0.00 57.85 55.93 2wdk n ARG 92 Cb 0.62 -1.88 -0.15 0.00 -1.16 0.00 0.00 32.46 29.90 2wdk n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wdk s VAL 93 N -1.74 1.33 0.11 1.55 1.01 -1.26 -4.90 120.40 116.51 2wdk s VAL 93 Ca 0.70 -1.81 0.05 0.00 0.00 0.00 0.00 61.98 60.92 2wdk s VAL 93 Cb -0.40 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2wdk s VAL 93 CO 0.53 -0.68 0.04 -0.31 0.00 0.00 0.00 175.10 174.68 2wdk s TYR 94 N 1.26 3.05 -0.11 5.22 2.02 -1.26 -0.33 117.35 127.20 2wdk s TYR 94 Ca 0.11 -0.02 -0.06 0.00 -0.37 0.00 0.00 57.07 56.73 2wdk s TYR 94 Cb -0.19 -1.53 0.04 0.00 -0.40 0.00 0.00 41.96 39.89 2wdk s TYR 94 CO -0.18 0.50 0.26 0.14 -1.57 0.00 0.00 175.55 174.70 2wdk s VAL 95 N -1.47 -0.03 0.51 0.71 -7.23 -0.86 -4.91 120.40 107.12 2wdk s VAL 95 Ca 0.28 0.12 -0.21 0.00 -1.81 0.00 0.00 61.98 60.36 2wdk s VAL 95 Cb -0.11 -0.39 -0.06 0.00 0.56 0.00 0.00 36.38 36.38 2wdk s VAL 95 CO 0.20 0.05 1.18 -0.83 -0.31 0.00 0.00 175.10 175.39 2wdk s GLY 96 N 1.07 2.74 0.34 2.32 0.00 -1.26 -2.83 107.32 109.70 2wdk s GLY 96 Ca -0.08 0.95 0.12 0.00 0.00 0.00 0.00 44.72 45.71 2wdk s GLY 96 CO -0.07 1.38 1.60 -0.24 0.00 0.00 0.00 173.10 175.76 2wdk h VAL 97 N 1.48 0.10 0.00 1.40 3.04 -1.91 0.85 116.25 121.20 2wdk h VAL 97 Ca -0.50 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 2wdk h VAL 97 Cb 1.26 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2wdk h VAL 97 CO 0.58 0.02 -0.08 0.11 -1.01 0.00 0.00 177.57 177.18 2wdk h LYS 98 N 0.08 0.00 -0.70 4.17 1.57 -1.92 -2.30 116.57 117.47 2wdk h LYS 98 Ca 0.72 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.39 2wdk h LYS 98 Cb 1.70 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.94 2wdk h LYS 98 CO -0.77 0.08 0.14 0.39 -0.57 0.00 0.00 179.45 178.72 2wdk n GLU 99 N -3.25 4.11 -2.85 3.15 1.02 0.29 -4.95 120.64 118.16 2wdk n GLU 99 Ca -0.00 -2.93 -0.37 0.00 -0.02 0.00 0.00 57.16 53.84 2wdk n GLU 99 Cb 0.32 -2.20 -0.06 0.00 -0.02 0.00 0.00 31.44 29.48 2wdk n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wdk s ILE 100 N -2.75 4.27 0.57 -3.67 1.01 -0.87 -4.72 121.20 115.03 2wdk s ILE 100 Ca 0.52 1.76 -0.18 0.00 0.00 0.00 0.00 60.65 62.74 2wdk s ILE 100 Cb 0.40 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 2wdk s ILE 100 CO 0.14 0.23 1.10 -2.84 0.00 0.00 0.00 174.94 173.57 2wdk s PRO 101 N -1.87 3.30 -0.50 2.79 0.02 -1.26 -5.05 135.00 132.44 2wdk s PRO 101 Ca 0.47 1.48 -0.02 0.00 0.02 0.00 0.00 61.00 62.95 2wdk s PRO 101 Cb -0.19 -2.01 0.13 0.00 0.02 0.00 0.00 34.50 32.45 2wdk s PRO 101 CO 0.24 -0.87 0.29 1.03 -0.33 0.00 0.00 177.00 177.36 2wdk s ARG 102 N -3.54 2.17 -0.16 5.54 0.52 -1.26 -4.83 118.95 117.39 2wdk s ARG 102 Ca 0.70 -2.16 -0.29 0.00 -0.52 0.00 0.00 55.73 53.45 2wdk s ARG 102 Cb -0.21 -3.59 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 2wdk s ARG 102 CO 0.30 -1.11 1.46 0.08 0.02 0.00 0.00 175.30 176.06 2wdk s VAL 103 N 0.54 3.92 -1.48 3.52 1.01 -1.26 -3.69 120.40 122.97 2wdk s VAL 103 Ca 0.12 1.09 -0.13 0.00 0.00 0.00 0.00 61.98 63.07 2wdk s VAL 103 Cb -0.22 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.47 2wdk s VAL 103 CO -0.04 -0.19 0.76 -1.14 0.00 0.00 0.00 175.10 174.49 2wdk n ARG 104 N 7.08 -4.35 -3.42 2.72 3.00 -1.26 -0.67 116.66 119.76 2wdk n ARG 104 Ca 0.16 0.54 -0.17 0.00 -0.00 0.00 0.00 57.85 58.38 2wdk n ARG 104 Cb 0.44 -5.34 0.08 0.00 0.00 0.00 0.00 32.46 27.65 2wdk n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wdk n ARG 105 N -4.26 -5.94 0.00 -0.14 5.12 -1.24 -2.74 116.66 107.45 2wdk n ARG 105 Ca 0.02 0.84 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 2wdk n ARG 105 Cb 0.53 -5.82 0.00 0.00 -1.16 0.00 0.00 32.46 26.01 2wdk n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdk n GLY 106 N -1.17 1.73 0.40 -0.13 0.00 -0.59 -4.77 105.19 100.66 2wdk n GLY 106 Ca -0.26 -0.08 0.22 0.00 0.00 0.00 0.00 46.02 45.90 2wdk n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wdk h LEU 107 N 0.00 0.00 0.00 0.99 3.38 -1.48 -3.43 115.31 114.77 2wdk h LEU 107 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2wdk h LEU 107 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 2wdk h LEU 107 CO 0.00 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.09 2wdk n GLY 108 N -1.57 1.92 3.35 0.83 0.00 0.16 -4.99 105.19 104.87 2wdk n GLY 108 Ca 0.10 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.74 2wdk n GLY 108 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wdk s ILE 109 N -1.87 1.72 -0.36 -0.61 2.07 -0.23 -4.67 121.20 117.26 2wdk s ILE 109 Ca 0.48 -2.21 0.02 0.00 -1.41 0.00 0.00 60.65 57.54 2wdk s ILE 109 Cb -0.04 -2.05 0.15 0.00 0.13 0.00 0.00 42.46 40.65 2wdk s ILE 109 CO 0.31 -0.59 0.35 0.00 -1.91 0.00 0.00 174.94 173.10 2wdk s ALA 110 N -2.98 -0.30 0.58 1.50 0.00 -1.26 -1.08 121.76 118.21 2wdk s ALA 110 Ca 0.23 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 2wdk s ALA 110 Cb -0.01 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2wdk s ALA 110 CO 0.07 -2.07 1.16 0.42 0.00 0.00 0.00 175.76 175.33 2wdk s ILE 111 N 1.54 2.96 -0.23 0.00 1.01 -0.68 -2.01 121.20 123.79 2wdk s ILE 111 Ca 0.16 0.58 -0.28 0.00 0.00 0.00 0.00 60.65 61.11 2wdk s ILE 111 Cb -0.16 -3.20 0.14 0.00 0.01 0.00 0.00 42.46 39.25 2wdk s ILE 111 CO -0.07 -0.15 1.09 -1.48 0.00 0.00 0.00 174.94 174.32 2wdk s LEU 112 N -4.07 -0.33 0.04 2.97 0.05 -0.24 -2.04 118.68 115.06 2wdk s LEU 112 Ca 0.74 0.50 -0.21 0.00 0.05 0.00 0.00 54.13 55.21 2wdk s LEU 112 Cb -0.26 1.71 -0.06 0.00 -2.05 0.00 0.00 46.19 45.54 2wdk s LEU 112 CO 0.31 -0.21 0.62 -0.55 -0.55 0.00 0.00 176.35 175.97 2wdk s SER 113 N -0.49 7.07 0.37 1.48 0.15 -0.89 -1.37 113.70 120.02 2wdk s SER 113 Ca 0.02 1.27 0.04 0.00 0.70 0.00 0.00 55.95 57.98 2wdk s SER 113 Cb -0.03 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 2wdk s SER 113 CO -0.04 0.17 0.13 0.42 1.20 0.00 0.00 173.24 175.12 2wdk s THR 114 N -0.60 0.59 0.58 6.45 -4.23 -0.38 -0.68 115.64 117.37 2wdk s THR 114 Ca 0.31 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.11 2wdk s THR 114 Cb -0.19 -2.45 0.39 0.00 1.34 0.00 0.00 72.50 71.59 2wdk s THR 114 CO 0.19 0.00 1.90 0.28 -0.54 0.00 0.00 174.62 176.45 2wdk h SER 115 N 1.94 0.00 -3.52 3.99 0.02 -1.99 -3.19 113.55 110.80 2wdk h SER 115 Ca -0.35 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.99 2wdk h SER 115 Cb 1.26 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.40 2wdk h SER 115 CO 0.57 0.00 -0.73 -0.54 -1.14 0.00 0.00 176.83 174.98 2wdk s LYS 116 N -4.67 1.24 0.35 3.45 1.02 -1.26 -5.10 119.74 114.77 2wdk s LYS 116 Ca -0.04 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.08 2wdk s LYS 116 Cb 0.16 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 2wdk s LYS 116 CO 0.58 -1.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 2wdk n GLY 117 N 3.80 -1.93 3.68 -3.33 0.00 -1.21 -4.80 105.19 101.40 2wdk n GLY 117 Ca 0.06 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 2wdk n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdk s VAL 118 N -2.43 5.37 0.00 1.61 1.01 -1.26 -1.25 120.40 123.45 2wdk s VAL 118 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2wdk s VAL 118 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2wdk s VAL 118 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.46 2wdk n LEU 119 N 4.11 0.00 -4.74 3.92 -0.00 -0.47 -4.93 117.00 114.89 2wdk n LEU 119 Ca -0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.62 2wdk n LEU 119 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.87 2wdk n LEU 119 CO 0.36 0.00 -0.16 0.42 -0.00 0.00 0.00 177.39 178.01 2wdk s THR 120 N -1.33 2.36 0.52 1.47 -4.23 -1.26 -1.08 115.64 112.09 2wdk s THR 120 Ca 0.00 -1.69 0.31 0.00 -1.18 0.00 0.00 61.69 59.13 2wdk s THR 120 Cb 0.00 -2.99 0.49 0.00 1.34 0.00 0.00 72.50 71.34 2wdk s THR 120 CO 0.00 -0.01 1.85 -2.24 -0.54 0.00 0.00 174.62 173.68 2wdk h ASP 121 N 1.43 0.07 0.00 3.99 2.03 -1.73 0.87 116.42 123.09 2wdk h ASP 121 Ca -0.43 0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 55.84 2wdk h ASP 121 Cb 1.25 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.75 2wdk h ASP 121 CO 0.69 0.02 -0.58 0.03 -1.03 0.00 0.00 179.24 178.37 2wdk h ARG 122 N 0.07 0.00 -0.25 4.15 3.08 -1.90 -3.22 114.38 116.31 2wdk h ARG 122 Ca 0.49 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.59 2wdk h ARG 122 Cb 1.82 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.80 2wdk h ARG 122 CO -0.05 0.22 -0.39 0.93 -1.07 0.00 0.00 179.97 179.62 2wdk h GLU 123 N -1.00 -0.37 -0.31 0.04 5.08 -1.81 0.38 114.58 116.58 2wdk h GLU 123 Ca -0.07 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2wdk h GLU 123 Cb 0.62 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2wdk h GLU 123 CO -0.04 -0.25 0.05 0.00 -1.00 0.00 0.00 179.01 177.77 2wdk h ALA 124 N 0.37 0.32 -0.51 3.43 0.00 0.55 0.34 119.26 123.75 2wdk h ALA 124 Ca 0.11 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2wdk h ALA 124 Cb 0.58 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2wdk h ALA 124 CO -0.46 -0.36 0.34 -0.09 0.00 0.00 0.00 179.25 178.68 2wdk h ARG 125 N 0.15 0.38 -0.44 0.00 2.43 -1.35 0.18 114.38 115.74 2wdk h ARG 125 Ca 0.15 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 2wdk h ARG 125 Cb 0.17 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2wdk h ARG 125 CO -0.21 0.25 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.07 2wdk h LYS 126 N 0.39 0.93 0.00 0.20 3.64 0.16 -2.67 116.57 119.22 2wdk h LYS 126 Ca 0.23 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2wdk h LYS 126 Cb 0.39 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2wdk h LYS 126 CO -0.06 1.06 0.00 1.28 -2.27 0.00 0.00 179.45 179.47 2wdk n LEU 127 N -4.17 0.00 -2.14 5.20 7.99 -0.08 -4.91 117.00 118.89 2wdk n LEU 127 Ca -0.01 0.38 -0.16 0.00 -0.01 0.00 0.00 56.01 56.22 2wdk n LEU 127 Cb 0.45 -0.38 0.02 0.00 -0.11 0.00 0.00 43.42 43.40 2wdk n LEU 127 CO 0.46 -0.06 -0.04 0.61 -1.51 0.00 0.00 177.39 176.85 2wdk n GLY 128 N 0.95 -0.21 3.27 -0.72 0.00 -0.42 -5.02 105.19 103.05 2wdk n GLY 128 Ca 0.09 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 2wdk n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wdk s VAL 129 N -2.95 0.80 0.27 1.61 -7.23 -1.14 -4.92 120.40 106.85 2wdk s VAL 129 Ca 0.17 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 2wdk s VAL 129 Cb -0.08 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 2wdk s VAL 129 CO 0.21 -0.40 0.07 0.61 -0.31 0.00 0.00 175.10 175.28 2wdk n GLY 130 N -0.31 3.61 0.00 2.32 0.00 -1.26 -4.40 105.19 105.15 2wdk n GLY 130 Ca -0.06 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2wdk n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdk n GLY 131 N 0.55 -0.63 3.55 -0.02 0.00 -1.13 -4.24 105.19 103.27 2wdk n GLY 131 Ca -0.06 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 2wdk n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdk s GLU 132 N -0.37 3.21 -0.77 1.61 2.12 0.14 -2.04 118.70 122.60 2wdk s GLU 132 Ca 0.00 -0.22 -0.23 0.00 0.36 0.00 0.00 54.97 54.87 2wdk s GLU 132 Cb 0.00 -4.17 -0.16 0.00 0.26 0.00 0.00 34.13 30.06 2wdk s GLU 132 CO 0.00 -2.11 2.40 -0.11 -0.54 0.00 0.00 175.26 174.90 2wdk n LEU 133 N 9.26 1.25 0.14 2.70 0.00 0.55 -2.09 117.00 128.81 2wdk n LEU 133 Ca 0.03 -0.98 0.03 0.00 0.00 0.00 0.00 56.01 55.09 2wdk n LEU 133 Cb 0.49 -1.40 0.40 0.00 0.00 0.00 0.00 43.42 42.91 2wdk n LEU 133 CO 0.71 -2.04 0.86 0.40 0.00 0.00 0.00 177.39 177.31 2wdk h ILE 134 N 7.60 1.19 0.00 1.96 1.08 -1.77 -2.14 117.51 125.43 2wdk h ILE 134 Ca -0.05 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 2wdk h ILE 134 Cb 1.11 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.17 2wdk h ILE 134 CO 1.18 0.26 0.00 0.00 -0.69 0.00 0.00 178.15 178.89 2wdk s GLU 136 N -1.96 0.92 0.05 0.00 -1.05 -1.05 -1.69 118.70 113.93 2wdk s GLU 136 Ca 0.00 -1.09 -0.14 0.00 -0.15 0.00 0.00 54.97 53.59 2wdk s GLU 136 Cb 0.00 -0.90 0.02 0.00 -0.44 0.00 0.00 34.13 32.82 2wdk s GLU 136 CO 0.00 0.19 0.31 0.08 0.95 0.00 0.00 175.26 176.79 2wdk s VAL 137 N -1.63 0.08 0.00 1.83 1.01 -0.24 -2.16 120.40 119.29 2wdk s VAL 137 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2wdk s VAL 137 Cb -0.08 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2wdk s VAL 137 CO 0.03 -0.38 0.00 -2.67 0.00 0.00 0.00 175.10 172.08