#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk s THR 6 N 0.00 4.24 0.08 3.45 -1.32 -1.26 -4.89 115.64 115.94 2wdk s THR 6 Ca 0.00 0.92 -0.26 0.00 -1.21 0.00 0.00 61.69 61.14 2wdk s THR 6 Cb 0.00 -3.58 -0.16 0.00 -1.51 0.00 0.00 72.50 67.25 2wdk s THR 6 CO 0.00 -0.76 1.69 0.40 -2.21 0.00 0.00 174.62 173.74 2wdk h ILE 7 N 0.16 0.79 -1.02 5.08 1.08 -2.05 -0.96 117.51 120.59 2wdk h ILE 7 Ca -0.46 -0.02 0.25 0.00 -0.39 0.00 0.00 64.86 64.25 2wdk h ILE 7 Cb 1.20 0.80 -0.09 0.00 -3.07 0.00 0.00 36.82 35.66 2wdk h ILE 7 CO 0.59 0.00 0.65 -1.13 -0.69 0.00 0.00 178.15 177.58 2wdk h ASN 8 N -0.30 0.49 -0.31 1.72 -0.73 -1.99 0.85 115.58 115.31 2wdk h ASN 8 Ca -0.03 0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.17 2wdk h ASN 8 Cb 0.23 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 2wdk h ASN 8 CO 0.05 0.11 -0.01 1.56 -0.37 0.00 0.00 177.43 178.77 2wdk h GLN 9 N 0.44 0.55 -0.76 6.67 4.20 -1.71 -2.35 115.11 122.15 2wdk h GLN 9 Ca 0.59 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 59.09 2wdk h GLN 9 Cb 1.41 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.10 2wdk h GLN 9 CO -0.30 0.70 0.38 -0.07 -0.67 0.00 0.00 178.83 178.87 2wdk h LEU 10 N 0.35 0.96 -0.44 1.46 3.38 0.17 0.95 115.31 122.14 2wdk h LEU 10 Ca 0.09 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2wdk h LEU 10 Cb 0.46 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2wdk h LEU 10 CO 0.02 0.80 0.14 0.58 0.09 0.00 0.00 178.44 180.06 2wdk h VAL 11 N 1.07 0.83 0.00 1.22 2.07 0.42 0.11 116.25 121.97 2wdk h VAL 11 Ca 0.26 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2wdk h VAL 11 Cb 0.08 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2wdk h VAL 11 CO -0.04 0.05 0.00 0.54 0.02 0.00 0.00 177.57 178.15 2wdk n ARG 12 N -5.04 0.00 -0.14 1.57 1.74 -0.72 -4.48 116.66 109.59 2wdk n ARG 12 Ca 0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2wdk n ARG 12 Cb 0.18 -0.25 0.02 0.00 -1.02 0.00 0.00 32.46 31.39 2wdk n ARG 12 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wdk h LYS 13 N 0.00 -0.07 0.00 5.56 6.56 -0.99 -3.48 116.57 124.15 2wdk h LYS 13 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2wdk h LYS 13 Cb 0.00 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 2wdk h LYS 13 CO 0.00 -0.04 0.00 0.41 -2.06 0.00 0.00 179.45 177.76 2wdk n GLY 14 N -1.38 -1.18 3.88 3.86 0.00 0.38 -4.91 105.19 105.84 2wdk n GLY 14 Ca 0.04 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 2wdk n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdk s ARG 15 N -1.18 3.71 -0.16 1.61 1.81 -1.26 -4.90 118.95 118.59 2wdk s ARG 15 Ca 0.00 0.09 -0.08 0.00 -1.72 0.00 0.00 55.73 54.03 2wdk s ARG 15 Cb 0.00 -2.90 -0.04 0.00 -0.45 0.00 0.00 34.95 31.56 2wdk s ARG 15 CO 0.00 0.49 0.11 -2.00 -0.68 0.00 0.00 175.30 173.22 2wdk s GLU 16 N -2.30 3.75 0.38 3.54 2.12 -1.26 -5.09 118.70 119.84 2wdk s GLU 16 Ca 0.38 -0.23 -0.26 0.00 0.36 0.00 0.00 54.97 55.22 2wdk s GLU 16 Cb -0.13 -3.23 -0.09 0.00 0.26 0.00 0.00 34.13 30.95 2wdk s GLU 16 CO 0.21 0.51 1.17 0.21 -0.54 0.00 0.00 175.26 176.82 2wdk s LYS 17 N -0.27 4.14 0.00 4.30 2.36 -1.26 -5.02 119.74 123.99 2wdk s LYS 17 Ca 0.10 1.86 -0.05 0.00 -2.55 0.00 0.00 55.97 55.32 2wdk s LYS 17 Cb -0.12 -2.75 -0.03 0.00 -1.05 0.00 0.00 37.83 33.88 2wdk s LYS 17 CO 0.01 -0.25 0.71 -0.39 1.55 0.00 0.00 175.35 176.98 2wdk h VAL 18 N 2.45 0.00 -3.55 4.02 -1.51 -2.08 -3.50 116.25 112.09 2wdk h VAL 18 Ca -0.49 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2wdk h VAL 18 Cb 1.23 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 2wdk h VAL 18 CO 0.63 0.00 -0.73 -1.14 -1.23 0.00 0.00 177.57 175.10 2wdk n ARG 19 N -2.76 -4.27 -4.25 5.19 0.63 -1.26 -5.05 116.66 104.89 2wdk n ARG 19 Ca -0.02 3.15 -0.23 0.00 -0.92 0.00 0.00 57.85 59.82 2wdk n ARG 19 Cb 0.08 -3.25 -0.07 0.00 0.45 0.00 0.00 32.46 29.67 2wdk n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2wdk s LYS 20 N -1.21 2.42 0.04 -0.14 -2.85 -1.26 -5.12 119.74 111.62 2wdk s LYS 20 Ca 0.00 -1.31 -0.19 0.00 -1.00 0.00 0.00 55.97 53.48 2wdk s LYS 20 Cb 0.00 -2.26 -0.06 0.00 -2.06 0.00 0.00 37.83 33.45 2wdk s LYS 20 CO 0.00 0.39 0.54 0.15 0.10 0.00 0.00 175.35 176.53 2wdk s LYS 21 N -3.59 4.18 -0.98 1.78 3.01 -1.26 -4.98 119.74 117.91 2wdk s LYS 21 Ca 0.31 0.67 -0.24 0.00 -1.01 0.00 0.00 55.97 55.70 2wdk s LYS 21 Cb -0.07 -3.26 -0.09 0.00 -1.01 0.00 0.00 37.83 33.40 2wdk s LYS 21 CO 0.21 0.58 2.03 0.45 0.51 0.00 0.00 175.35 179.13 2wdk s SER 22 N -0.86 4.74 0.33 2.83 0.15 -1.26 -4.73 113.70 114.89 2wdk s SER 22 Ca 0.28 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2wdk s SER 22 Cb -0.19 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2wdk s SER 22 CO 0.17 -3.22 0.62 1.17 1.20 0.00 0.00 173.24 173.18 2wdk n LYS 23 N 8.63 0.01 -3.20 5.44 4.81 -1.26 -3.25 118.16 129.34 2wdk n LYS 23 Ca 0.43 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 2wdk n LYS 23 Cb 0.46 -1.78 -0.02 0.00 0.02 0.00 0.00 35.03 33.71 2wdk n LYS 23 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2wdk s VAL 24 N -2.65 -0.89 -1.51 3.15 1.01 -1.26 -5.01 120.40 113.23 2wdk s VAL 24 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 2wdk s VAL 24 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2wdk s VAL 24 CO 0.00 -0.07 2.59 -0.81 0.00 0.00 0.00 175.10 176.81 2wdk n PRO 25 N 5.40 3.53 0.00 2.72 -0.04 -1.20 -4.66 135.00 140.76 2wdk n PRO 25 Ca 0.02 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 2wdk n PRO 25 Cb 0.52 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 2wdk n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdk n ALA 26 N 4.18 1.80 -1.15 0.55 0.00 -1.26 -4.85 120.51 119.79 2wdk n ALA 26 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2wdk n ALA 26 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2wdk n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdk n LEU 27 N 0.31 -1.67 0.00 0.00 7.99 -1.26 -4.43 117.00 117.94 2wdk n LEU 27 Ca 0.00 2.17 0.00 0.00 -0.01 0.00 0.00 56.01 58.17 2wdk n LEU 27 Cb 0.15 -1.93 0.00 0.00 -0.11 0.00 0.00 43.42 41.53 2wdk n LEU 27 CO 0.00 0.03 0.00 0.29 -1.51 0.00 0.00 177.39 176.20 2wdk n LYS 28 N -1.38 -1.58 -0.73 3.23 5.02 -1.26 -0.27 118.16 121.19 2wdk n LYS 28 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2wdk n LYS 28 Cb 0.11 -3.15 0.00 0.00 -0.02 0.00 0.00 35.03 31.97 2wdk n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdk n GLY 29 N 0.27 0.05 3.63 0.72 0.00 -1.26 -4.82 105.19 103.78 2wdk n GLY 29 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 2wdk n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdk n ALA 30 N 1.00 -0.74 -0.27 4.61 0.00 0.63 -4.80 120.51 120.94 2wdk n ALA 30 Ca 0.00 0.47 0.12 0.00 0.00 0.00 0.00 53.44 54.03 2wdk n ALA 30 Cb 0.20 -2.12 0.23 0.00 0.00 0.00 0.00 19.45 17.75 2wdk n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wdk n PRO 31 N 3.55 -0.06 -4.04 0.00 -0.02 -1.26 -4.46 135.00 128.72 2wdk n PRO 31 Ca 0.21 1.16 -0.09 0.00 -2.02 0.00 0.00 63.50 62.77 2wdk n PRO 31 Cb 0.17 -1.85 -0.11 0.00 -0.02 0.00 0.00 33.50 31.69 2wdk n PRO 31 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wdk s PHE 32 N -5.71 0.44 -0.03 6.00 0.08 -1.26 -4.82 117.98 112.68 2wdk s PHE 32 Ca -0.10 -0.71 0.03 0.00 0.12 0.00 0.00 56.93 56.27 2wdk s PHE 32 Cb 0.23 -0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.38 2wdk s PHE 32 CO 0.61 -0.23 -0.12 0.50 -0.10 0.00 0.00 175.22 175.88 2wdk s ARG 33 N -2.36 1.23 -0.17 0.44 6.06 -1.13 -4.96 118.95 118.06 2wdk s ARG 33 Ca -0.06 -0.40 -0.06 0.00 -2.50 0.00 0.00 55.73 52.71 2wdk s ARG 33 Cb -0.04 -1.12 -0.03 0.00 0.06 0.00 0.00 34.95 33.82 2wdk s ARG 33 CO -0.04 0.15 0.02 0.50 -2.50 0.00 0.00 175.30 173.43 2wdk s ARG 34 N 0.16 3.82 0.00 5.12 3.52 -1.26 0.15 118.95 130.46 2wdk s ARG 34 Ca -0.04 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 2wdk s ARG 34 Cb -0.10 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 2wdk s ARG 34 CO 0.01 0.23 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 2wdk n GLY 35 N 3.60 3.57 2.94 8.12 0.00 -0.64 -2.07 105.19 120.71 2wdk n GLY 35 Ca -0.17 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 2wdk n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdk s VAL 36 N -2.20 1.10 0.12 1.61 1.01 0.30 -0.49 120.40 121.86 2wdk s VAL 36 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 2wdk s VAL 36 Cb 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 36.38 35.19 2wdk s VAL 36 CO 0.00 0.37 1.84 0.00 0.00 0.00 0.00 175.10 177.32 2wdk h THR 38 N 4.66 1.04 -3.31 0.00 1.03 -0.10 -3.37 112.91 112.86 2wdk h THR 38 Ca -0.46 -2.41 -0.40 0.00 -0.01 0.00 0.00 66.41 63.13 2wdk h THR 38 Cb 1.22 2.73 -0.38 0.00 -1.07 0.00 0.00 68.15 70.65 2wdk h THR 38 CO 0.95 0.71 -0.75 -0.69 -0.01 0.00 0.00 175.52 175.72 2wdk s VAL 39 N -2.48 0.16 -1.03 0.00 1.01 -1.22 -4.48 120.40 112.37 2wdk s VAL 39 Ca -0.20 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 2wdk s VAL 39 Cb 0.04 -0.35 0.26 0.00 0.00 0.00 0.00 36.38 36.33 2wdk s VAL 39 CO 0.77 0.21 1.00 -0.69 0.00 0.00 0.00 175.10 176.39 2wdk s VAL 40 N 1.89 5.63 0.32 2.92 1.01 -1.26 -1.24 120.40 129.67 2wdk s VAL 40 Ca 0.03 -3.36 0.09 0.00 0.00 0.00 0.00 61.98 58.73 2wdk s VAL 40 Cb -0.12 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 2wdk s VAL 40 CO -0.04 -1.14 0.05 -0.60 0.00 0.00 0.00 175.10 173.37 2wdk s ARG 41 N -1.06 2.22 -0.08 2.72 3.00 -1.22 -4.98 118.95 119.54 2wdk s ARG 41 Ca 0.28 -1.61 -0.01 0.00 -1.00 0.00 0.00 55.73 53.39 2wdk s ARG 41 Cb -0.10 -2.06 -0.03 0.00 0.00 0.00 0.00 34.95 32.76 2wdk s ARG 41 CO -0.09 0.18 -0.01 -0.08 0.00 0.00 0.00 175.30 175.31 2wdk s THR 42 N -2.44 4.25 0.43 4.11 -1.32 -1.26 -1.84 115.64 117.57 2wdk s THR 42 Ca 0.35 -0.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.59 2wdk s THR 42 Cb -0.02 -2.78 -0.05 0.00 -1.51 0.00 0.00 72.50 68.14 2wdk s THR 42 CO 0.20 0.60 0.03 0.68 -2.21 0.00 0.00 174.62 173.92 2wdk s VAL 43 N -0.88 1.38 -0.01 5.08 -7.23 -0.60 -4.96 120.40 113.17 2wdk s VAL 43 Ca 0.13 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 2wdk s VAL 43 Cb -0.11 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2wdk s VAL 43 CO 0.02 0.00 0.14 0.42 -0.31 0.00 0.00 175.10 175.38 2wdk s THR 44 N -2.93 5.16 1.07 5.32 -4.23 -1.26 -2.13 115.64 116.64 2wdk s THR 44 Ca 0.23 -0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 60.37 2wdk s THR 44 Cb 0.06 -3.39 0.23 0.00 1.34 0.00 0.00 72.50 70.74 2wdk s THR 44 CO 0.12 0.34 1.07 -2.16 -0.54 0.00 0.00 174.62 173.44 2wdk s PRO 45 N -1.85 -0.16 0.00 3.99 0.04 -1.26 -4.96 135.00 130.80 2wdk s PRO 45 Ca 0.25 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2wdk s PRO 45 Cb -0.12 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2wdk s PRO 45 CO 0.17 -3.16 0.00 1.17 0.04 0.00 0.00 177.00 175.21 2wdk n LYS 46 N -4.50 2.74 0.00 4.56 4.81 -0.00 -4.87 118.16 120.91 2wdk n LYS 46 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2wdk n LYS 46 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 2wdk n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2wdk n LYS 47 N 0.00 0.00 -0.76 1.64 4.81 -1.26 -2.74 118.16 119.85 2wdk n LYS 47 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2wdk n LYS 47 Cb 0.00 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.28 2wdk n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wdk n PRO 48 N -0.10 2.53 -4.39 1.64 -0.05 -1.26 -5.00 135.00 128.37 2wdk n PRO 48 Ca 0.00 -3.04 -0.25 0.00 -0.05 0.00 0.00 63.50 60.16 2wdk n PRO 48 Cb 0.00 -1.92 -0.09 0.00 -0.05 0.00 0.00 33.50 31.44 2wdk n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 2wdk s ASN 49 N -1.99 4.06 -0.19 3.54 0.02 -1.11 -5.14 114.94 114.13 2wdk s ASN 49 Ca 0.47 -0.99 -0.05 0.00 -1.02 0.00 0.00 52.86 51.27 2wdk s ASN 49 Cb 0.40 -0.50 0.09 0.00 0.02 0.00 0.00 41.25 41.26 2wdk s ASN 49 CO 0.06 -0.16 0.34 -0.55 0.02 0.00 0.00 177.10 176.80 2wdk s SER 50 N -3.66 0.26 0.00 -1.22 0.15 -1.26 -4.54 113.70 103.43 2wdk s SER 50 Ca 0.33 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2wdk s SER 50 Cb -0.01 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 2wdk s SER 50 CO 0.18 -0.26 0.00 0.00 1.20 0.00 0.00 173.24 174.36 2wdk n ALA 51 N 5.36 0.00 -3.10 5.45 0.00 -1.26 -5.01 120.51 121.95 2wdk n ALA 51 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 2wdk n ALA 51 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 2wdk n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdk n LEU 52 N 0.00 -0.34 -4.73 0.00 4.77 -1.26 -4.28 117.00 111.16 2wdk n LEU 52 Ca 0.00 -4.47 -0.42 0.00 -0.03 0.00 0.00 56.01 51.09 2wdk n LEU 52 Cb 0.00 0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 41.76 2wdk n LEU 52 CO 0.00 2.09 1.21 0.54 -1.33 0.00 0.00 177.39 179.89 2wdk n ARG 53 N 1.28 2.60 -2.72 3.23 3.00 -0.91 -4.61 116.66 118.54 2wdk n ARG 53 Ca 0.19 0.93 -0.43 0.00 -0.01 0.00 0.00 57.85 58.53 2wdk n ARG 53 Cb 0.57 -2.69 -0.03 0.00 0.00 0.00 0.00 32.46 30.31 2wdk n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wdk s LYS 54 N -0.52 3.51 0.55 5.56 3.01 -1.26 -1.56 119.74 129.04 2wdk s LYS 54 Ca 0.64 0.16 0.08 0.00 -1.01 0.00 0.00 55.97 55.84 2wdk s LYS 54 Cb -0.52 -3.98 0.06 0.00 -1.01 0.00 0.00 37.83 32.39 2wdk s LYS 54 CO 0.49 -1.43 0.61 0.08 0.51 0.00 0.00 175.35 175.60 2wdk s VAL 55 N 4.24 1.95 -0.30 3.17 1.01 -0.76 -1.74 120.40 127.97 2wdk s VAL 55 Ca 0.39 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 2wdk s VAL 55 Cb -0.09 -2.18 0.18 0.00 0.00 0.00 0.00 36.38 34.28 2wdk s VAL 55 CO 0.26 0.00 0.78 0.00 0.00 0.00 0.00 175.10 176.14 2wdk s ALA 56 N -2.70 -2.64 0.42 5.51 0.00 -0.59 -3.39 121.76 118.37 2wdk s ALA 56 Ca 0.49 1.81 -0.25 0.00 0.00 0.00 0.00 51.96 54.01 2wdk s ALA 56 Cb -0.04 -2.21 -0.08 0.00 0.00 0.00 0.00 23.12 20.79 2wdk s ALA 56 CO 0.31 -1.28 1.21 0.15 0.00 0.00 0.00 175.76 176.14 2wdk s LYS 57 N 2.84 3.95 -0.02 0.00 1.02 -0.37 -1.47 119.74 125.69 2wdk s LYS 57 Ca 0.09 1.92 0.00 0.00 0.02 0.00 0.00 55.97 58.00 2wdk s LYS 57 Cb -0.12 -2.63 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2wdk s LYS 57 CO -0.17 -0.44 0.02 0.08 -0.92 0.00 0.00 175.35 173.92 2wdk s VAL 58 N -1.39 0.00 -0.41 3.17 1.01 0.20 0.51 120.40 123.48 2wdk s VAL 58 Ca 0.59 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 2wdk s VAL 58 Cb -0.32 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2wdk s VAL 58 CO 0.41 0.10 0.88 -0.60 0.00 0.00 0.00 175.10 175.88 2wdk s ARG 59 N 1.01 3.66 0.83 2.72 6.06 0.12 -1.04 118.95 132.30 2wdk s ARG 59 Ca -0.09 0.29 -0.10 0.00 -2.50 0.00 0.00 55.73 53.32 2wdk s ARG 59 Cb -0.13 -3.87 0.13 0.00 0.06 0.00 0.00 34.95 31.15 2wdk s ARG 59 CO -0.03 -1.05 1.17 -0.51 -2.50 0.00 0.00 175.30 172.38 2wdk s LEU 60 N 3.48 2.74 0.59 -0.88 2.01 -1.23 0.11 118.68 125.50 2wdk s LEU 60 Ca 0.35 0.32 0.35 0.00 0.01 0.00 0.00 54.13 55.17 2wdk s LEU 60 Cb -0.12 -2.66 1.88 0.00 0.01 0.00 0.00 46.19 45.31 2wdk s LEU 60 CO 0.22 -2.14 2.21 0.71 1.01 0.00 0.00 176.35 178.35 2wdk h THR 61 N -1.09 0.26 0.00 5.49 1.35 -1.80 -1.43 112.91 115.70 2wdk h THR 61 Ca -0.44 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2wdk h THR 61 Cb 1.28 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2wdk h THR 61 CO 0.50 0.03 0.00 -1.20 -0.25 0.00 0.00 175.52 174.60 2wdk n SER 62 N -3.39 0.64 0.00 5.36 7.64 -1.26 -4.81 113.62 117.80 2wdk n SER 62 Ca -0.02 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.91 2wdk n SER 62 Cb 0.16 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2wdk n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdk n GLY 63 N 0.17 0.66 0.00 0.23 0.00 -0.54 -4.93 105.19 100.79 2wdk n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdk n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wdk n TYR 64 N -2.00 -0.71 0.00 1.61 4.02 -1.25 -4.77 117.16 114.05 2wdk n TYR 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wdk n TYR 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wdk n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2wdk n GLU 65 N 0.00 0.00 -4.01 -0.72 2.13 -1.20 -3.56 120.64 113.27 2wdk n GLU 65 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2wdk n GLU 65 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 2wdk n GLU 65 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2wdk s VAL 66 N 0.00 0.19 -0.02 6.31 -7.23 -0.21 -4.84 120.40 114.61 2wdk s VAL 66 Ca 0.00 -1.60 -0.26 0.00 -1.81 0.00 0.00 61.98 58.31 2wdk s VAL 66 Cb 0.00 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2wdk s VAL 66 CO 0.00 -0.88 0.80 0.42 -0.31 0.00 0.00 175.10 175.14 2wdk s THR 67 N -3.90 4.90 0.45 5.32 -4.23 -1.26 0.59 115.64 117.51 2wdk s THR 67 Ca 0.07 1.69 0.03 0.00 -1.18 0.00 0.00 61.69 62.29 2wdk s THR 67 Cb 0.07 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.72 2wdk s THR 67 CO -0.10 0.25 0.03 0.00 -0.54 0.00 0.00 174.62 174.26 2wdk s ALA 68 N 0.63 3.48 0.08 3.99 0.00 -0.54 -3.97 121.76 125.43 2wdk s ALA 68 Ca 0.42 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 51.24 2wdk s ALA 68 Cb -0.19 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2wdk s ALA 68 CO 0.22 -0.13 -0.17 -0.47 0.00 0.00 0.00 175.76 175.21 2wdk s TYR 69 N -2.93 2.56 -0.60 0.00 5.04 -1.00 -1.54 117.35 118.88 2wdk s TYR 69 Ca 0.20 -0.25 -0.07 0.00 -2.44 0.00 0.00 57.07 54.51 2wdk s TYR 69 Cb 0.05 -1.41 0.16 0.00 0.35 0.00 0.00 41.96 41.11 2wdk s TYR 69 CO 0.10 0.33 0.45 0.42 -1.34 0.00 0.00 175.55 175.51 2wdk s ILE 70 N -1.05 4.16 1.34 3.14 1.01 -0.71 -0.08 121.20 129.02 2wdk s ILE 70 Ca 0.17 -2.46 -0.22 0.00 0.00 0.00 0.00 60.65 58.13 2wdk s ILE 70 Cb -0.11 -3.70 0.34 0.00 0.01 0.00 0.00 42.46 39.01 2wdk s ILE 70 CO 0.08 -0.86 0.92 -0.81 0.00 0.00 0.00 174.94 174.27 2wdk n PRO 71 N 4.07 -4.19 -0.59 2.79 -0.04 -1.26 -4.66 135.00 131.13 2wdk n PRO 71 Ca 0.04 -1.51 0.08 0.00 -0.04 0.00 0.00 63.50 62.07 2wdk n PRO 71 Cb 0.41 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.11 2wdk n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdk n GLY 72 N -5.20 -1.30 3.48 0.55 0.00 -1.26 -4.71 105.19 96.75 2wdk n GLY 72 Ca 0.14 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 2wdk n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdk s GLU 73 N -0.91 3.39 0.00 1.61 8.01 -1.26 -4.99 118.70 124.55 2wdk s GLU 73 Ca 0.00 -0.70 0.00 0.00 0.01 0.00 0.00 54.97 54.28 2wdk s GLU 73 Cb 0.00 -3.69 0.00 0.00 -4.31 0.00 0.00 34.13 26.13 2wdk s GLU 73 CO 0.00 -0.44 0.00 0.41 0.01 0.00 0.00 175.26 175.24 2wdk n GLY 74 N 5.04 -1.15 0.00 -1.39 0.00 -1.26 -4.68 105.19 101.76 2wdk n GLY 74 Ca -0.13 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2wdk n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2wdk n HIS 75 N -1.08 0.00 -2.66 1.61 1.44 -1.26 -4.94 115.22 108.33 2wdk n HIS 75 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 2wdk n HIS 75 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 2wdk n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2wdk n ASN 76 N 0.00 -1.18 -4.42 4.39 6.94 -1.26 -5.01 115.26 114.72 2wdk n ASN 76 Ca 0.00 -1.75 -0.32 0.00 -0.02 0.00 0.00 54.58 52.49 2wdk n ASN 76 Cb 0.00 1.07 -0.14 0.00 -2.36 0.00 0.00 39.78 38.35 2wdk n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wdk s LEU 77 N -1.73 2.51 0.25 -4.53 1.43 -1.26 -4.88 118.68 110.47 2wdk s LEU 77 Ca 0.11 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2wdk s LEU 77 Cb 0.17 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2wdk s LEU 77 CO -0.10 0.34 0.19 -1.10 0.23 0.00 0.00 176.35 175.90 2wdk s GLN 78 N -0.68 1.42 0.30 1.70 -0.21 -1.26 -4.86 119.66 116.07 2wdk s GLN 78 Ca 0.11 -1.78 0.17 0.00 0.02 0.00 0.00 55.36 53.87 2wdk s GLN 78 Cb -0.10 0.29 1.09 0.00 1.00 0.00 0.00 33.01 35.28 2wdk s GLN 78 CO 0.00 -0.49 1.29 -1.91 -2.12 0.00 0.00 175.29 172.06 2wdk n GLU 79 N -0.41 -0.05 -3.78 2.91 2.13 -1.26 -2.89 120.64 117.29 2wdk n GLU 79 Ca 0.04 1.13 -0.29 0.00 0.66 0.00 0.00 57.16 58.71 2wdk n GLU 79 Cb 0.65 -2.03 -0.13 0.00 0.27 0.00 0.00 31.44 30.20 2wdk n GLU 79 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2wdk s HIS 80 N -5.26 2.62 -0.05 4.31 3.76 -1.26 -4.16 115.29 115.26 2wdk s HIS 80 Ca -0.07 -2.86 0.00 0.00 -0.15 0.00 0.00 55.06 51.98 2wdk s HIS 80 Cb 0.28 -2.22 0.03 0.00 1.11 0.00 0.00 32.58 31.77 2wdk s HIS 80 CO 0.64 -0.71 -0.01 -1.12 -0.85 0.00 0.00 174.74 172.69 2wdk s SER 81 N -0.38 1.00 0.40 1.40 0.01 -1.14 -5.04 113.70 109.95 2wdk s SER 81 Ca 0.22 -0.08 -0.25 0.00 1.31 0.00 0.00 55.95 57.15 2wdk s SER 81 Cb -0.15 -0.37 -0.08 0.00 0.21 0.00 0.00 66.02 65.62 2wdk s SER 81 CO -0.08 -0.12 1.14 -0.69 0.41 0.00 0.00 173.24 173.91 2wdk s VAL 82 N 1.30 3.30 0.18 3.43 1.01 -1.26 -2.39 120.40 125.97 2wdk s VAL 82 Ca -0.05 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 2wdk s VAL 82 Cb -0.13 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2wdk s VAL 82 CO -0.02 0.07 0.39 -0.69 0.00 0.00 0.00 175.10 174.84 2wdk s VAL 83 N -1.48 0.05 -0.10 2.92 1.01 0.36 -1.85 120.40 121.31 2wdk s VAL 83 Ca 0.58 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2wdk s VAL 83 Cb -0.28 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 2wdk s VAL 83 CO 0.35 -0.22 -0.20 -0.22 0.00 0.00 0.00 175.10 174.82 2wdk s LEU 84 N -2.93 2.35 0.10 3.92 0.20 -1.26 -1.62 118.68 119.43 2wdk s LEU 84 Ca 0.14 -0.44 -0.06 0.00 0.69 0.00 0.00 54.13 54.46 2wdk s LEU 84 Cb 0.01 -1.48 -0.05 0.00 -0.43 0.00 0.00 46.19 44.24 2wdk s LEU 84 CO -0.01 0.19 0.35 -0.63 -0.29 0.00 0.00 176.35 175.96 2wdk s ILE 85 N 0.17 5.19 -0.04 6.68 -1.09 0.40 -0.35 121.20 132.17 2wdk s ILE 85 Ca -0.11 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 2wdk s ILE 85 Cb -0.16 -3.62 -0.06 0.00 -1.58 0.00 0.00 42.46 37.05 2wdk s ILE 85 CO 0.06 0.15 0.02 -1.14 -1.23 0.00 0.00 174.94 172.80 2wdk n ARG 86 N 0.42 2.95 -0.05 2.79 0.63 0.49 -2.84 116.66 121.05 2wdk n ARG 86 Ca -0.05 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 2wdk n ARG 86 Cb 0.52 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 32.32 2wdk n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wdk n GLY 87 N 2.68 -3.13 0.00 5.14 0.00 -1.24 -4.76 105.19 103.87 2wdk n GLY 87 Ca -0.06 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2wdk n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdk n GLY 88 N -0.85 3.03 2.72 -0.02 0.00 -0.91 -4.47 105.19 104.68 2wdk n GLY 88 Ca 0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 2wdk n GLY 88 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdk n ARG 89 N 0.00 -4.38 -3.75 1.61 -4.01 -1.18 -4.09 116.66 100.86 2wdk n ARG 89 Ca 0.00 -1.23 -0.30 0.00 -1.04 0.00 0.00 57.85 55.29 2wdk n ARG 89 Cb 0.00 -1.62 -0.14 0.00 -3.04 0.00 0.00 32.46 27.66 2wdk n ARG 89 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2wdk s VAL 90 N -1.93 1.26 0.00 8.89 1.01 -1.17 -4.93 120.40 123.52 2wdk s VAL 90 Ca 0.56 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.50 2wdk s VAL 90 Cb -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2wdk s VAL 90 CO 0.47 -0.77 0.10 1.17 0.00 0.00 0.00 175.10 176.06 2wdk n LYS 91 N 4.17 0.00 0.00 2.72 3.00 -1.26 -0.78 118.16 126.00 2wdk n LYS 91 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2wdk n LYS 91 Cb 0.38 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 34.05 2wdk n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wdk n ASP 92 N 2.07 0.00 -4.06 3.14 2.03 -1.26 -5.01 116.55 113.47 2wdk n ASP 92 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 2wdk n ASP 92 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 2wdk n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wdk s LEU 93 N -0.59 4.96 0.31 -2.67 1.43 0.04 -0.82 118.68 121.34 2wdk s LEU 93 Ca 0.00 -2.55 -0.30 0.00 -1.03 0.00 0.00 54.13 50.25 2wdk s LEU 93 Cb 0.00 -1.76 -0.11 0.00 0.03 0.00 0.00 46.19 44.34 2wdk s LEU 93 CO 0.00 -0.39 1.59 -2.84 0.23 0.00 0.00 176.35 174.94 2wdk s PRO 94 N 0.37 4.11 0.00 1.29 0.02 -1.26 -2.36 135.00 137.17 2wdk s PRO 94 Ca 0.14 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.75 2wdk s PRO 94 Cb -0.22 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2wdk s PRO 94 CO -0.04 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 2wdk n GLY 95 N 1.95 3.09 3.57 0.52 0.00 -1.26 -5.00 105.19 108.05 2wdk n GLY 95 Ca 0.07 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2wdk n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdk s VAL 96 N -0.56 3.64 -1.01 1.61 1.01 -0.99 -4.75 120.40 119.35 2wdk s VAL 96 Ca 0.00 0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.57 2wdk s VAL 96 Cb 0.00 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.07 2wdk s VAL 96 CO 0.00 -1.15 0.68 0.54 0.00 0.00 0.00 175.10 175.16 2wdk n ARG 97 N 8.90 1.82 -4.39 2.72 1.74 -1.25 -3.04 116.66 123.15 2wdk n ARG 97 Ca 0.14 -0.70 -0.20 0.00 -0.77 0.00 0.00 57.85 56.32 2wdk n ARG 97 Cb 0.50 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.72 2wdk n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wdk s TYR 98 N -1.31 1.79 0.10 -1.55 1.51 -1.26 -2.14 117.35 114.49 2wdk s TYR 98 Ca 0.09 -0.90 0.08 0.00 -1.01 0.00 0.00 57.07 55.34 2wdk s TYR 98 Cb 0.08 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 2wdk s TYR 98 CO 0.24 0.04 -0.21 -1.01 -1.11 0.00 0.00 175.55 173.50 2wdk s HIS 99 N -3.30 1.81 0.70 2.71 3.76 -1.26 -2.38 115.29 117.32 2wdk s HIS 99 Ca 0.32 -0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 54.72 2wdk s HIS 99 Cb 0.06 -1.00 0.03 0.00 1.11 0.00 0.00 32.58 32.79 2wdk s HIS 99 CO 0.12 0.20 1.05 0.42 -0.85 0.00 0.00 174.74 175.68 2wdk s ILE 100 N -1.12 3.12 -0.20 0.60 1.01 0.89 0.18 121.20 125.68 2wdk s ILE 100 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2wdk s ILE 100 Cb -0.10 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.06 2wdk s ILE 100 CO 0.04 -0.40 -0.15 -0.69 0.00 0.00 0.00 174.94 173.74 2wdk s VAL 101 N -3.29 2.36 1.20 2.92 1.01 0.53 -4.57 120.40 120.56 2wdk s VAL 101 Ca 0.58 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2wdk s VAL 101 Cb -0.11 -2.07 0.30 0.00 0.00 0.00 0.00 36.38 34.51 2wdk s VAL 101 CO 0.49 0.44 0.97 0.54 0.00 0.00 0.00 175.10 177.53 2wdk n ARG 102 N 4.64 -2.66 -4.14 2.72 5.12 -1.26 -3.64 116.66 117.43 2wdk n ARG 102 Ca -0.19 -0.75 -0.34 0.00 -1.93 0.00 0.00 57.85 54.64 2wdk n ARG 102 Cb 0.49 -2.13 -0.08 0.00 -1.16 0.00 0.00 32.46 29.58 2wdk n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdk n GLY 103 N 1.13 -0.26 2.78 -0.13 0.00 0.17 -4.68 105.19 104.19 2wdk n GLY 103 Ca 0.02 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 2wdk n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdk s VAL 104 N -3.43 -0.16 0.00 1.61 1.01 0.45 -4.88 120.40 114.99 2wdk s VAL 104 Ca 0.46 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2wdk s VAL 104 Cb -0.27 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 35.90 2wdk s VAL 104 CO 0.89 0.15 0.00 -1.22 0.00 0.00 0.00 175.10 174.92 2wdk n TYR 105 N 5.06 0.00 1.90 5.22 0.53 -1.26 -1.54 117.16 127.07 2wdk n TYR 105 Ca -0.09 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 56.93 2wdk n TYR 105 Cb 0.50 0.00 0.84 0.00 -1.03 0.00 0.00 39.34 39.65 2wdk n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2wdk n ASP 106 N 6.38 0.00 -4.49 7.72 9.92 -0.77 -4.67 116.55 130.64 2wdk n ASP 106 Ca 0.00 -1.02 -0.43 0.00 -0.53 0.00 0.00 54.79 52.81 2wdk n ASP 106 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 2wdk n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wdk s ALA 107 N -2.00 3.38 0.04 2.24 0.00 -0.59 -4.83 121.76 120.01 2wdk s ALA 107 Ca 0.42 -1.42 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 2wdk s ALA 107 Cb 0.19 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 2wdk s ALA 107 CO 0.33 -1.75 0.56 0.00 0.00 0.00 0.00 175.76 174.89 2wdk s ALA 108 N 2.52 3.58 0.93 0.00 0.00 -1.26 -0.41 121.76 127.11 2wdk s ALA 108 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 2wdk s ALA 108 Cb -0.16 -2.63 0.08 0.00 0.00 0.00 0.00 23.12 20.41 2wdk s ALA 108 CO 0.16 0.35 0.74 0.41 0.00 0.00 0.00 175.76 177.42 2wdk n GLY 109 N 1.92 -1.27 3.77 0.00 0.00 -1.26 -4.20 105.19 104.15 2wdk n GLY 109 Ca -0.10 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2wdk n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdk s VAL 110 N -2.48 2.36 0.37 1.61 1.01 -1.18 -4.89 120.40 117.21 2wdk s VAL 110 Ca 0.62 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 2wdk s VAL 110 Cb -0.22 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 2wdk s VAL 110 CO 0.63 0.07 0.82 -0.75 0.00 0.00 0.00 175.10 175.87 2wdk s LYS 111 N -1.47 4.05 -0.73 2.72 2.20 -1.26 -3.98 119.74 121.28 2wdk s LYS 111 Ca 0.54 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 2wdk s LYS 111 Cb -0.44 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 2wdk s LYS 111 CO 0.54 0.06 0.00 -0.25 -0.36 0.00 0.00 175.35 175.34 2wdk n ASP 112 N -0.60 -2.45 -4.71 1.43 10.43 -1.26 -4.91 116.55 114.48 2wdk n ASP 112 Ca 0.05 0.26 -0.41 0.00 2.57 0.00 0.00 54.79 57.25 2wdk n ASP 112 Cb 0.54 -2.29 -0.04 0.00 1.84 0.00 0.00 41.12 41.17 2wdk n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2wdk s ARG 113 N -3.96 4.51 -0.04 -1.24 6.06 -1.26 -4.92 118.95 118.11 2wdk s ARG 113 Ca 0.00 1.21 0.05 0.00 -2.50 0.00 0.00 55.73 54.49 2wdk s ARG 113 Cb 0.00 -3.46 -0.07 0.00 0.06 0.00 0.00 34.95 31.48 2wdk s ARG 113 CO 0.00 -0.01 0.05 1.63 -2.50 0.00 0.00 175.30 174.47 2wdk n LYS 114 N 3.86 2.33 0.00 5.12 5.02 -1.26 -4.97 118.16 128.26 2wdk n LYS 114 Ca 0.03 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2wdk n LYS 114 Cb 0.51 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 2wdk n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wdk n LYS 115 N -2.05 0.00 -1.70 1.97 4.76 -1.26 -4.77 118.16 115.11 2wdk n LYS 115 Ca -0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 2wdk n LYS 115 Cb 0.52 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 2wdk n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2wdk s SER 116 N -1.25 6.19 -0.07 4.39 0.01 -1.26 -4.79 113.70 116.92 2wdk s SER 116 Ca 0.00 2.37 0.02 0.00 1.31 0.00 0.00 55.95 59.65 2wdk s SER 116 Cb 0.00 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.65 2wdk s SER 116 CO 0.00 -1.30 -0.04 0.54 0.41 0.00 0.00 173.24 172.85 2wdk n ARG 117 N 7.85 1.17 -0.30 12.44 1.74 -1.26 -4.57 116.66 133.72 2wdk n ARG 117 Ca 0.22 0.03 0.01 0.00 -0.77 0.00 0.00 57.85 57.34 2wdk n ARG 117 Cb 0.42 -1.15 0.08 0.00 -1.02 0.00 0.00 32.46 30.79 2wdk n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wdk h SER 118 N 0.00 -0.95 -3.62 0.55 0.87 -1.87 -1.48 113.55 107.06 2wdk h SER 118 Ca -0.17 0.26 -0.51 0.00 -1.23 0.00 0.00 61.79 60.14 2wdk h SER 118 Cb 1.30 0.57 -0.02 0.00 -0.44 0.00 0.00 62.40 63.81 2wdk h SER 118 CO -0.01 -0.29 0.28 -0.54 -0.53 0.00 0.00 176.83 175.74 2wdk s LYS 119 N -6.16 4.71 0.00 2.24 1.02 -1.26 -3.01 119.74 117.27 2wdk s LYS 119 Ca -0.15 1.34 0.00 0.00 0.02 0.00 0.00 55.97 57.19 2wdk s LYS 119 Cb 0.22 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 2wdk s LYS 119 CO 0.74 0.46 0.00 0.66 -0.92 0.00 0.00 175.35 176.29 2wdk n TYR 120 N 1.89 0.00 -1.09 3.18 4.02 -1.20 -4.68 117.16 119.27 2wdk n TYR 120 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.85 2wdk n TYR 120 Cb 0.48 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 2wdk n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdk n GLY 121 N -2.80 0.01 3.14 2.72 0.00 -0.57 -3.08 105.19 104.61 2wdk n GLY 121 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2wdk n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdk s THR 122 N -0.07 1.37 0.46 2.61 2.01 -1.13 -3.99 115.64 116.90 2wdk s THR 122 Ca 0.01 -0.71 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 2wdk s THR 122 Cb -0.00 -1.17 -0.08 0.00 0.01 0.00 0.00 72.50 71.26 2wdk s THR 122 CO 0.03 0.39 1.10 -0.54 -0.69 0.00 0.00 174.62 174.91 2wdk s LYS 123 N -0.13 3.84 -0.09 4.92 -0.14 -1.26 -4.73 119.74 122.15 2wdk s LYS 123 Ca 0.00 1.59 -0.29 0.00 -1.36 0.00 0.00 55.97 55.91 2wdk s LYS 123 Cb -0.09 -2.33 -0.07 0.00 -1.68 0.00 0.00 37.83 33.66 2wdk s LYS 123 CO 0.01 -0.44 2.01 0.21 -0.76 0.00 0.00 175.35 176.37 2wdk s LYS 124 N -2.82 3.74 0.14 1.68 2.47 -1.26 -4.97 119.74 118.73 2wdk s LYS 124 Ca 0.64 2.28 -0.30 0.00 -1.56 0.00 0.00 55.97 57.03 2wdk s LYS 124 Cb -0.23 -4.22 -0.07 0.00 -1.46 0.00 0.00 37.83 31.85 2wdk s LYS 124 CO 0.28 -1.40 1.05 -1.25 0.16 0.00 0.00 175.35 174.19 2wdk s PRO 125 N 5.15 4.62 0.46 4.03 0.04 -1.26 -5.03 135.00 143.00 2wdk s PRO 125 Ca 0.90 1.62 -0.20 0.00 0.04 0.00 0.00 61.00 63.36 2wdk s PRO 125 Cb -0.37 -3.32 -0.10 0.00 0.04 0.00 0.00 34.50 30.75 2wdk s PRO 125 CO 0.37 0.10 0.98 0.21 0.04 0.00 0.00 177.00 178.71 2wdk s LYS 126 N -0.12 4.06 -0.09 4.56 2.47 -1.26 -4.94 119.74 124.41 2wdk s LYS 126 Ca 0.49 1.17 0.02 0.00 -1.56 0.00 0.00 55.97 56.09 2wdk s LYS 126 Cb -0.27 -2.15 0.18 0.00 -1.46 0.00 0.00 37.83 34.13 2wdk s LYS 126 CO 0.32 -0.19 1.08 0.39 0.16 0.00 0.00 175.35 177.12 2wdk n GLU 127 N -0.87 1.54 -3.04 4.03 -0.58 -1.26 -4.86 120.64 115.60 2wdk n GLU 127 Ca 0.08 -0.76 -0.01 0.00 -0.42 0.00 0.00 57.16 56.05 2wdk n GLU 127 Cb 0.54 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 2wdk n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdk n ALA 128 N 0.11 -2.55 0.00 0.62 0.00 -1.26 -5.39 120.51 112.04 2wdk n ALA 128 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2wdk n ALA 128 Cb 0.69 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2wdk n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50