#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n VAL 3 N 0.00 0.00 1.07 5.15 0.31 -1.26 -4.74 118.33 118.86 2wdi n VAL 3 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2wdi n VAL 3 Cb 0.00 -0.25 0.35 0.00 -0.91 0.00 0.00 33.84 33.02 2wdi n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wdi n LYS 4 N -1.95 0.18 -1.37 5.55 2.85 -1.26 -4.96 118.16 117.20 2wdi n LYS 4 Ca 0.00 -0.09 -0.45 0.00 -1.05 0.00 0.00 58.31 56.72 2wdi n LYS 4 Cb 0.01 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.88 2wdi n LYS 4 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2wdi n MET 5 N -1.33 0.07 -3.58 -1.58 2.81 -1.26 -5.00 117.12 107.25 2wdi n MET 5 Ca 0.07 0.02 -0.08 0.00 -1.81 0.00 0.00 57.70 55.90 2wdi n MET 5 Cb 0.33 -1.05 -0.04 0.00 -0.71 0.00 0.00 33.22 31.75 2wdi n MET 5 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 2wdi s HIS 6 N -1.29 -0.30 0.00 2.03 -3.43 -1.26 -5.11 115.29 105.92 2wdi s HIS 6 Ca 0.62 0.44 0.00 0.00 -0.80 0.00 0.00 55.06 55.31 2wdi s HIS 6 Cb -0.79 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 30.83 2wdi s HIS 6 CO 0.59 -0.32 0.00 1.33 -2.00 0.00 0.00 174.74 174.34 2wdi n VAL 7 N 0.46 0.00 -0.87 -5.38 0.24 -1.26 -4.82 118.33 106.71 2wdi n VAL 7 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 2wdi n VAL 7 Cb 0.59 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 33.06 2wdi n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wdi n LYS 8 N 0.00 -1.67 -0.55 7.34 4.01 -1.26 -5.08 118.16 120.95 2wdi n LYS 8 Ca 0.00 -0.79 0.00 0.00 -0.51 0.00 0.00 58.31 57.01 2wdi n LYS 8 Cb 0.00 -0.69 0.00 0.00 -0.51 0.00 0.00 35.03 33.83 2wdi n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2wdi n LYS 9 N -2.81 0.00 -0.89 1.97 2.85 -1.26 -5.04 118.16 112.98 2wdi n LYS 9 Ca 0.07 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.97 2wdi n LYS 9 Cb 0.25 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.58 2wdi n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wdi n GLY 10 N 0.00 2.37 0.00 2.58 0.00 -1.26 -4.35 105.19 104.54 2wdi n GLY 10 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2wdi n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdi n ASP 11 N 6.72 0.87 -4.36 1.61 5.68 -1.26 -4.82 116.55 120.99 2wdi n ASP 11 Ca 0.45 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 54.40 2wdi n ASP 11 Cb 0.31 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.15 2wdi n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2wdi s THR 12 N 1.40 3.16 0.37 2.12 2.01 -1.26 0.56 115.64 124.01 2wdi s THR 12 Ca 0.00 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.45 2wdi s THR 12 Cb 0.00 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2wdi s THR 12 CO 0.00 0.50 0.22 0.68 -0.69 0.00 0.00 174.62 175.33 2wdi s VAL 13 N 0.63 0.24 0.24 3.82 -7.23 -0.98 -4.21 120.40 112.92 2wdi s VAL 13 Ca -0.06 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.22 2wdi s VAL 13 Cb -0.15 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 2wdi s VAL 13 CO 0.03 0.00 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.41 2wdi s LEU 14 N -3.49 2.56 0.32 1.32 2.96 -0.65 -2.81 118.68 118.88 2wdi s LEU 14 Ca 0.32 -1.00 0.08 0.00 -0.22 0.00 0.00 54.13 53.31 2wdi s LEU 14 Cb 0.02 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 2wdi s LEU 14 CO 0.22 -0.01 0.17 -0.69 -1.32 0.00 0.00 176.35 174.72 2wdi s VAL 15 N -2.50 3.33 0.00 1.68 1.01 -0.96 -0.32 120.40 122.65 2wdi s VAL 15 Ca 0.26 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2wdi s VAL 15 Cb -0.04 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2wdi s VAL 15 CO 0.12 -0.22 0.02 0.00 0.00 0.00 0.00 175.10 175.02 2wdi n ALA 16 N -1.18 0.22 -1.00 5.51 0.00 -0.10 -3.44 120.51 120.52 2wdi n ALA 16 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wdi n ALA 16 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2wdi n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wdi n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.13 -4.83 113.62 111.07 2wdi n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdi n SER 17 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2wdi n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdi n GLY 18 N 0.00 -2.14 0.00 5.00 0.00 -1.26 -4.80 105.19 101.98 2wdi n GLY 18 Ca 0.00 0.67 0.03 0.00 0.00 0.00 0.00 46.02 46.72 2wdi n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdi n LYS 19 N -0.79 0.13 -0.46 1.61 4.81 -1.26 -0.45 118.16 121.76 2wdi n LYS 19 Ca 0.00 0.09 0.01 0.00 -0.87 0.00 0.00 58.31 57.54 2wdi n LYS 19 Cb 0.00 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 33.56 2wdi n LYS 19 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2wdi n TYR 20 N -1.11 0.00 -1.66 5.64 4.02 -1.26 -5.00 117.16 117.80 2wdi n TYR 20 Ca 0.03 -0.06 -0.45 0.00 -0.01 0.00 0.00 57.90 57.41 2wdi n TYR 20 Cb 0.03 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.26 2wdi n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2wdi n LYS 21 N -0.08 1.91 0.00 -0.72 3.00 0.41 -1.98 118.16 120.70 2wdi n LYS 21 Ca 0.01 0.68 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 2wdi n LYS 21 Cb 0.69 -2.32 0.00 0.00 0.00 0.00 0.00 35.03 33.40 2wdi n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wdi n GLY 22 N 2.23 3.02 3.70 3.14 0.00 -1.22 -4.95 105.19 111.10 2wdi n GLY 22 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2wdi n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdi s ARG 23 N -0.11 0.72 -0.02 1.61 0.52 -0.84 -4.79 118.95 116.03 2wdi s ARG 23 Ca 0.00 0.57 -0.09 0.00 -0.52 0.00 0.00 55.73 55.68 2wdi s ARG 23 Cb 0.00 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.72 2wdi s ARG 23 CO 0.00 -2.55 0.20 0.08 0.02 0.00 0.00 175.30 173.05 2wdi s VAL 24 N -2.99 0.06 0.01 3.52 1.01 -1.26 -2.26 120.40 118.48 2wdi s VAL 24 Ca 0.65 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2wdi s VAL 24 Cb -0.18 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 35.85 2wdi s VAL 24 CO 0.57 -0.26 1.01 -0.83 0.00 0.00 0.00 175.10 175.59 2wdi s GLY 25 N -1.02 -0.36 0.00 4.51 0.00 -1.12 -4.93 107.32 104.38 2wdi s GLY 25 Ca -0.11 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2wdi s GLY 25 CO 0.02 0.25 0.00 1.17 0.00 0.00 0.00 173.10 174.54 2wdi n LYS 26 N -0.31 3.53 -1.42 2.90 4.81 -1.26 -2.32 118.16 124.09 2wdi n LYS 26 Ca -0.06 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.94 2wdi n LYS 26 Cb 0.61 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.65 2wdi n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wdi n VAL 27 N 0.00 1.62 -0.21 3.15 0.31 0.19 -4.27 118.33 119.13 2wdi n VAL 27 Ca 0.00 -0.50 0.02 0.00 -0.01 0.00 0.00 64.34 63.85 2wdi n VAL 27 Cb 0.00 -0.33 0.05 0.00 -0.91 0.00 0.00 33.84 32.65 2wdi n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wdi n LYS 28 N 0.89 2.74 -2.80 5.55 0.00 -1.26 -2.26 118.16 121.03 2wdi n LYS 28 Ca 0.13 -1.77 -0.13 0.00 -0.00 0.00 0.00 58.31 56.54 2wdi n LYS 28 Cb 0.34 -1.14 0.01 0.00 -0.00 0.00 0.00 35.03 34.24 2wdi n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wdi n GLU 29 N -0.48 -0.73 -1.11 -1.58 4.71 -1.26 0.48 120.64 120.68 2wdi n GLU 29 Ca 0.05 0.41 -0.34 0.00 -0.01 0.00 0.00 57.16 57.26 2wdi n GLU 29 Cb 0.35 -0.94 0.11 0.00 -1.01 0.00 0.00 31.44 29.95 2wdi n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wdi n VAL 30 N -1.05 1.63 0.00 2.62 0.31 -1.26 -4.59 118.33 115.99 2wdi n VAL 30 Ca -0.11 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2wdi n VAL 30 Cb 0.31 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 2wdi n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wdi n LEU 31 N -1.95 2.29 -1.27 7.52 7.99 -1.23 -4.99 117.00 125.36 2wdi n LEU 31 Ca 0.11 0.01 -0.05 0.00 -0.01 0.00 0.00 56.01 56.07 2wdi n LEU 31 Cb 0.51 -0.02 0.21 0.00 -0.11 0.00 0.00 43.42 44.01 2wdi n LEU 31 CO 0.49 -0.02 0.77 -0.81 -1.51 0.00 0.00 177.39 176.31 2wdi n PRO 32 N -0.76 2.05 -0.20 3.23 -0.04 -1.26 -4.98 135.00 133.03 2wdi n PRO 32 Ca 0.00 -3.13 0.01 0.00 -0.04 0.00 0.00 63.50 60.34 2wdi n PRO 32 Cb 0.00 -1.87 0.11 0.00 -0.04 0.00 0.00 33.50 31.70 2wdi n PRO 32 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wdi h LYS 33 N 1.12 0.25 -0.01 0.54 1.57 -1.94 0.49 116.57 118.60 2wdi h LYS 33 Ca 0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2wdi h LYS 33 Cb 1.79 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.04 2wdi h LYS 33 CO 0.46 0.17 -0.14 1.17 -0.57 0.00 0.00 179.45 180.54 2wdi n LYS 34 N -5.13 1.42 -3.49 3.15 4.81 -1.26 -4.96 118.16 112.71 2wdi n LYS 34 Ca 0.09 -0.93 -0.20 0.00 -0.87 0.00 0.00 58.31 56.40 2wdi n LYS 34 Cb 0.33 -1.48 0.09 0.00 0.02 0.00 0.00 35.03 33.98 2wdi n LYS 34 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2wdi n TYR 35 N 0.02 -2.45 -4.03 5.64 9.36 0.16 -4.92 117.16 120.94 2wdi n TYR 35 Ca 0.15 0.96 -0.01 0.00 3.32 0.00 0.00 57.90 62.32 2wdi n TYR 35 Cb 0.40 -5.05 -0.00 0.00 -0.63 0.00 0.00 39.34 34.05 2wdi n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wdi n ALA 36 N -4.46 0.03 -2.75 2.98 0.00 -1.26 -1.21 120.51 113.84 2wdi n ALA 36 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2wdi n ALA 36 Cb 0.63 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.15 2wdi n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wdi n VAL 37 N -0.06 0.00 0.00 0.00 0.24 -1.04 -3.52 118.33 113.95 2wdi n VAL 37 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2wdi n VAL 37 Cb 0.03 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 2wdi n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2wdi n ILE 38 N 0.00 0.00 0.00 1.34 2.08 0.18 -4.01 119.36 118.95 2wdi n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2wdi n ILE 38 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 2wdi n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2wdi n VAL 39 N -0.54 0.00 -1.24 1.39 0.31 -0.96 -4.04 118.33 113.25 2wdi n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdi n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdi n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wdi n GLU 40 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.60 120.64 119.75 2wdi n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wdi n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wdi n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdi n GLY 41 N 0.00 -2.73 3.57 0.62 0.00 -1.26 -4.82 105.19 100.58 2wdi n GLY 41 Ca 0.00 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2wdi n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdi n VAL 42 N 0.00 2.04 -0.44 1.61 0.31 -1.26 -4.80 118.33 115.78 2wdi n VAL 42 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2wdi n VAL 42 Cb 0.00 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 2wdi n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wdi n ASN 43 N 1.16 0.00 0.00 4.52 4.13 -1.26 0.11 115.26 123.91 2wdi n ASN 43 Ca 0.10 -0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.17 2wdi n ASN 43 Cb 0.33 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 2wdi n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2wdi n ILE 44 N 0.00 0.00 -2.69 2.41 5.41 -1.26 -3.99 119.36 119.23 2wdi n ILE 44 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 2wdi n ILE 44 Cb 0.05 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.92 2wdi n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wdi s VAL 45 N 0.00 4.08 0.00 1.39 1.01 -1.26 -4.63 120.40 120.99 2wdi s VAL 45 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2wdi s VAL 45 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2wdi s VAL 45 CO 0.00 -0.16 0.00 0.29 0.00 0.00 0.00 175.10 175.23 2wdi n LYS 46 N -0.42 0.00 -0.02 2.72 5.02 -1.26 -5.08 118.16 119.11 2wdi n LYS 46 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2wdi n LYS 46 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 2wdi n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2wdi n LYS 47 N 0.00 0.00 -1.51 1.97 -0.00 -1.26 -5.04 118.16 112.32 2wdi n LYS 47 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 2wdi n LYS 47 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 2wdi n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdi n ALA 48 N 0.00 0.43 1.03 0.58 0.00 -1.23 -4.73 120.51 116.59 2wdi n ALA 48 Ca 0.00 -0.47 0.11 0.00 0.00 0.00 0.00 53.44 53.08 2wdi n ALA 48 Cb 0.07 -2.53 0.33 0.00 0.00 0.00 0.00 19.45 17.33 2wdi n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdi n VAL 49 N 7.62 0.26 0.00 0.00 0.31 -1.26 -0.71 118.33 124.54 2wdi n VAL 49 Ca 0.58 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2wdi n VAL 49 Cb 0.17 0.54 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 2wdi n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdi n ARG 50 N 0.60 0.00 -0.01 5.55 1.74 -1.26 -3.54 116.66 119.74 2wdi n ARG 50 Ca 0.17 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.40 2wdi n ARG 50 Cb 0.40 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 32.07 2wdi n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wdi n VAL 51 N -0.61 0.00 0.00 1.55 0.31 -1.26 -3.32 118.33 114.99 2wdi n VAL 51 Ca 0.00 1.01 0.00 0.00 -0.01 0.00 0.00 64.34 65.34 2wdi n VAL 51 Cb 0.00 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 2wdi n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wdi n SER 52 N -2.70 0.00 -1.11 4.52 3.41 -1.26 -5.04 113.62 111.43 2wdi n SER 52 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2wdi n SER 52 Cb 1.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 2wdi n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wdi n PRO 53 N 0.00 0.00 -2.16 4.33 -0.02 -1.21 -4.73 135.00 131.20 2wdi n PRO 53 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 2wdi n PRO 53 Cb 0.00 -0.31 -0.02 0.00 -0.02 0.00 0.00 33.50 33.15 2wdi n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wdi s LYS 54 N 0.46 3.40 0.22 -0.52 2.20 -1.26 -4.11 119.74 120.12 2wdi s LYS 54 Ca 0.00 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 2wdi s LYS 54 Cb 0.00 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.19 2wdi s LYS 54 CO 0.00 -1.79 0.00 2.48 -0.36 0.00 0.00 175.35 175.68 2wdi n TYR 55 N 9.78 -4.82 0.00 4.03 0.18 -1.26 -4.94 117.16 120.12 2wdi n TYR 55 Ca 0.20 2.86 0.00 0.00 1.88 0.00 0.00 57.90 62.84 2wdi n TYR 55 Cb 0.48 -3.54 0.00 0.00 -0.38 0.00 0.00 39.34 35.89 2wdi n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 2wdi n PRO 56 N 1.80 0.00 0.00 -3.48 -0.02 -1.26 -4.89 135.00 127.15 2wdi n PRO 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wdi n PRO 56 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2wdi n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wdi n GLN 57 N -0.12 1.42 0.00 -0.52 6.02 -1.26 -4.55 117.38 118.37 2wdi n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wdi n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2wdi n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wdi n GLY 58 N 0.00 0.00 0.00 1.08 0.00 -1.11 -4.65 105.19 100.51 2wdi n GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdi n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 59 N 2.87 1.90 0.04 -0.02 0.00 0.11 -4.84 105.19 105.25 2wdi n GLY 59 Ca 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 46.02 44.12 2wdi n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdi n PHE 60 N 1.94 0.00 0.11 1.61 3.01 -1.26 -3.49 117.46 119.38 2wdi n PHE 60 Ca 0.00 -0.56 -0.03 0.00 1.01 0.00 0.00 57.45 57.87 2wdi n PHE 60 Cb 0.00 -0.07 0.07 0.00 -0.01 0.00 0.00 39.48 39.47 2wdi n PHE 60 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2wdi h ILE 61 N 0.60 1.53 -0.96 4.37 1.08 -1.97 -3.41 117.51 118.75 2wdi h ILE 61 Ca 0.00 -2.55 0.00 0.00 -0.39 0.00 0.00 64.86 61.92 2wdi h ILE 61 Cb 0.72 2.37 0.00 0.00 -3.07 0.00 0.00 36.82 36.84 2wdi h ILE 61 CO 0.00 0.73 0.00 -0.62 -0.69 0.00 0.00 178.15 177.57 2wdi n GLU 62 N -3.66 0.00 -2.26 2.37 4.71 -1.26 -4.92 120.64 115.61 2wdi n GLU 62 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.10 2wdi n GLU 62 Cb 0.72 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 31.15 2wdi n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wdi n LYS 63 N -0.07 0.22 -1.93 3.49 5.02 -1.26 -5.12 118.16 118.51 2wdi n LYS 63 Ca 0.00 -0.83 -0.40 0.00 -2.02 0.00 0.00 58.31 55.07 2wdi n LYS 63 Cb 0.00 0.81 0.01 0.00 -0.02 0.00 0.00 35.03 35.82 2wdi n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2wdi s GLU 64 N -2.23 3.82 -0.44 1.97 8.01 -1.26 -4.15 118.70 124.41 2wdi s GLU 64 Ca 0.08 2.28 -0.08 0.00 0.01 0.00 0.00 54.97 57.26 2wdi s GLU 64 Cb -0.00 -2.70 0.10 0.00 -4.31 0.00 0.00 34.13 27.22 2wdi s GLU 64 CO 0.06 -0.66 0.29 0.00 0.01 0.00 0.00 175.26 174.96 2wdi s ALA 65 N -1.24 3.32 0.00 5.21 0.00 0.29 -4.87 121.76 124.48 2wdi s ALA 65 Ca 0.59 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2wdi s ALA 65 Cb -0.41 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2wdi s ALA 65 CO 0.52 -1.80 0.00 -2.30 0.00 0.00 0.00 175.76 172.18 2wdi n PRO 66 N 4.87 0.00 -1.66 0.00 -0.02 -1.26 -4.42 135.00 132.50 2wdi n PRO 66 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2wdi n PRO 66 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 2wdi n PRO 66 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2wdi n LEU 67 N -0.87 -2.90 -3.41 2.45 -0.00 -1.26 -2.85 117.00 108.16 2wdi n LEU 67 Ca 0.00 2.67 -0.32 0.00 -0.00 0.00 0.00 56.01 58.36 2wdi n LEU 67 Cb 0.00 -2.94 0.00 0.00 -0.00 0.00 0.00 43.42 40.49 2wdi n LEU 67 CO 0.00 0.09 -0.43 1.57 -0.00 0.00 0.00 177.39 178.61 2wdi n HIS 68 N -0.43 -2.00 0.58 1.47 -0.00 -1.26 -2.51 115.22 111.06 2wdi n HIS 68 Ca 0.00 0.43 0.08 0.00 -0.00 0.00 0.00 57.72 58.23 2wdi n HIS 68 Cb 0.00 -1.38 0.21 0.00 -0.00 0.00 0.00 29.99 28.82 2wdi n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wdi n ALA 69 N -1.01 2.43 0.43 1.57 0.00 -0.35 -3.40 120.51 120.18 2wdi n ALA 69 Ca 0.08 -0.79 0.05 0.00 0.00 0.00 0.00 53.44 52.78 2wdi n ALA 69 Cb 0.35 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 2wdi n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdi n SER 70 N 0.82 0.79 0.15 0.00 2.88 -1.26 -4.37 113.62 112.63 2wdi n SER 70 Ca 0.15 -0.64 0.13 0.00 -1.33 0.00 0.00 58.87 57.18 2wdi n SER 70 Cb 0.39 1.07 0.38 0.00 -0.75 0.00 0.00 64.21 65.30 2wdi n SER 70 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wdi h LYS 71 N 0.00 0.00 -6.14 -1.46 1.79 -1.92 -3.46 116.57 105.38 2wdi h LYS 71 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2wdi h LYS 71 Cb 0.29 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 2wdi h LYS 71 CO 0.00 0.00 -0.50 0.14 -1.08 0.00 0.00 179.45 178.01 2wdi s VAL 72 N -3.21 4.90 0.19 0.50 -7.23 -1.26 -0.92 120.40 113.37 2wdi s VAL 72 Ca 0.08 -0.98 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2wdi s VAL 72 Cb 0.10 -3.56 -0.05 0.00 0.56 0.00 0.00 36.38 33.43 2wdi s VAL 72 CO 0.58 -0.18 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.95 2wdi s ARG 73 N -3.40 1.24 0.97 4.82 0.52 0.57 -4.94 118.95 118.72 2wdi s ARG 73 Ca 0.33 -1.55 -0.14 0.00 -0.52 0.00 0.00 55.73 53.85 2wdi s ARG 73 Cb -0.10 -0.92 0.17 0.00 0.52 0.00 0.00 34.95 34.62 2wdi s ARG 73 CO 0.26 0.13 1.16 -1.25 0.02 0.00 0.00 175.30 175.62 2wdi s PRO 74 N -3.69 0.66 -0.29 3.54 0.04 -1.26 -1.64 135.00 132.35 2wdi s PRO 74 Ca 0.21 0.14 -0.16 0.00 0.04 0.00 0.00 61.00 61.23 2wdi s PRO 74 Cb 0.01 -1.80 0.15 0.00 0.04 0.00 0.00 34.50 32.90 2wdi s PRO 74 CO 0.05 -2.49 0.98 -1.50 0.04 0.00 0.00 177.00 174.08 2wdi s ILE 75 N -3.31 -0.01 -0.25 0.56 2.07 -1.26 -2.76 121.20 116.25 2wdi s ILE 75 Ca 0.66 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.64 2wdi s ILE 75 Cb -0.12 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.58 2wdi s ILE 75 CO 0.54 0.00 1.00 0.00 -1.91 0.00 0.00 174.94 174.57 2wdi n PRO 77 N 1.87 -0.65 0.00 0.00 -0.02 -1.26 -3.93 135.00 131.00 2wdi n PRO 77 Ca -0.12 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 2wdi n PRO 77 Cb 0.56 0.58 0.00 0.00 -0.02 0.00 0.00 33.50 34.62 2wdi n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdi n ALA 78 N -0.75 0.00 0.00 3.55 0.00 -1.26 -5.04 120.51 117.01 2wdi n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdi n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdi n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi n GLY 80 N -0.13 2.18 1.12 0.00 0.00 -1.11 -4.93 105.19 102.32 2wdi n GLY 80 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2wdi n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdi n LYS 81 N 13.18 -3.18 0.00 1.61 5.02 -1.26 -4.09 118.16 129.44 2wdi n LYS 81 Ca 0.00 2.33 0.00 0.00 -2.02 0.00 0.00 58.31 58.62 2wdi n LYS 81 Cb 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.41 2wdi n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wdi n PRO 82 N -0.49 -0.91 -4.20 1.97 -0.02 -1.26 -4.61 135.00 125.47 2wdi n PRO 82 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2wdi n PRO 82 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 2wdi n PRO 82 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2wdi s THR 83 N -0.69 0.29 0.17 3.45 -4.23 -1.26 -4.10 115.64 109.26 2wdi s THR 83 Ca 0.00 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 2wdi s THR 83 Cb 0.00 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 2wdi s THR 83 CO 0.00 -0.33 0.13 0.54 -0.54 0.00 0.00 174.62 174.42 2wdi n ARG 84 N -0.21 0.27 -4.28 3.99 1.74 0.16 -4.96 116.66 113.37 2wdi n ARG 84 Ca -0.04 -1.63 -0.18 0.00 -0.77 0.00 0.00 57.85 55.23 2wdi n ARG 84 Cb 0.64 1.29 -0.15 0.00 -1.02 0.00 0.00 32.46 33.22 2wdi n ARG 84 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wdi s VAL 85 N -2.62 0.60 0.28 1.55 1.01 -1.26 -2.35 120.40 117.62 2wdi s VAL 85 Ca 0.18 -0.29 0.12 0.00 0.00 0.00 0.00 61.98 61.99 2wdi s VAL 85 Cb 0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 2wdi s VAL 85 CO 0.13 0.19 -0.18 -0.60 0.00 0.00 0.00 175.10 174.63 2wdi s ARG 86 N 0.05 1.74 -0.13 2.72 3.52 -0.03 -4.91 118.95 121.91 2wdi s ARG 86 Ca -0.00 -1.74 -0.25 0.00 -0.13 0.00 0.00 55.73 53.60 2wdi s ARG 86 Cb -0.06 -1.80 -0.23 0.00 -1.56 0.00 0.00 34.95 31.30 2wdi s ARG 86 CO -0.00 0.33 0.68 1.57 -0.81 0.00 0.00 175.30 177.07 2wdi h LYS 87 N 2.23 -0.00 0.00 5.12 2.10 -1.87 -3.25 116.57 120.90 2wdi h LYS 87 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2wdi h LYS 87 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2wdi h LYS 87 CO 0.60 0.86 0.00 1.63 -2.00 0.00 0.00 179.45 180.54 2wdi n LYS 88 N -4.64 0.00 -1.95 0.07 4.01 -1.26 -2.08 118.16 112.31 2wdi n LYS 88 Ca -0.09 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.56 2wdi n LYS 88 Cb 0.41 -2.16 -0.03 0.00 -0.51 0.00 0.00 35.03 32.75 2wdi n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2wdi n PHE 89 N -2.00 -0.43 0.00 2.13 7.35 -1.26 -4.48 117.46 118.77 2wdi n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2wdi n PHE 89 Cb 0.00 -2.97 0.00 0.00 0.35 0.00 0.00 39.48 36.86 2wdi n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2wdi n LEU 90 N -2.00 0.00 0.00 -2.13 -0.00 -1.23 -5.16 117.00 106.47 2wdi n LEU 90 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 2wdi n LEU 90 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2wdi n LEU 90 CO 0.22 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.99 2wdi n GLU 91 N 0.00 0.00 -3.64 1.47 -0.58 -0.88 -5.19 120.64 111.81 2wdi n GLU 91 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2wdi n GLU 91 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 2wdi n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2wdi s ASN 92 N 2.00 -0.71 0.07 1.62 2.47 -1.25 -4.40 114.94 114.74 2wdi s ASN 92 Ca 0.00 1.36 -0.26 0.00 0.42 0.00 0.00 52.86 54.38 2wdi s ASN 92 Cb 0.00 1.38 0.07 0.00 -1.45 0.00 0.00 41.25 41.25 2wdi s ASN 92 CO 0.00 -0.23 0.64 -0.83 -3.72 0.00 0.00 177.10 172.96 2wdi s GLY 93 N 0.39 -0.60 -0.09 1.21 0.00 -1.23 -5.00 107.32 102.00 2wdi s GLY 93 Ca -0.00 0.85 -0.12 0.00 0.00 0.00 0.00 44.72 45.45 2wdi s GLY 93 CO 0.00 0.49 0.29 -1.59 0.00 0.00 0.00 173.10 172.30 2wdi s LYS 94 N -2.68 3.91 -0.05 2.90 -2.85 -1.26 -0.85 119.74 118.86 2wdi s LYS 94 Ca -0.04 0.14 0.06 0.00 -1.00 0.00 0.00 55.97 55.13 2wdi s LYS 94 Cb -0.01 -3.29 -0.01 0.00 -2.06 0.00 0.00 37.83 32.47 2wdi s LYS 94 CO -0.04 0.55 -0.23 0.15 0.10 0.00 0.00 175.35 175.88 2wdi s LYS 95 N -0.49 2.35 0.00 1.78 1.02 -0.99 -1.41 119.74 122.00 2wdi s LYS 95 Ca 0.19 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.33 2wdi s LYS 95 Cb -0.14 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 2wdi s LYS 95 CO 0.07 0.36 0.00 -0.89 -0.92 0.00 0.00 175.35 173.97 2wdi n ILE 96 N 2.96 0.00 -3.22 2.17 5.41 -1.26 -0.67 119.36 124.74 2wdi n ILE 96 Ca -0.17 0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.12 2wdi n ILE 96 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.44 2wdi n ILE 96 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2wdi s ARG 97 N 0.00 3.75 -0.55 0.38 6.06 -1.26 -4.40 118.95 122.94 2wdi s ARG 97 Ca 0.00 -2.48 -0.03 0.00 -2.50 0.00 0.00 55.73 50.72 2wdi s ARG 97 Cb 0.00 -4.60 -0.03 0.00 0.06 0.00 0.00 34.95 30.38 2wdi s ARG 97 CO 0.00 -1.41 0.48 0.28 -2.50 0.00 0.00 175.30 172.14 2wdi n VAL 98 N 4.08 -5.17 0.00 7.11 0.31 -1.26 -5.00 118.33 118.40 2wdi n VAL 98 Ca 0.20 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 2wdi n VAL 98 Cb 0.46 -4.79 0.00 0.00 -0.91 0.00 0.00 33.84 28.59 2wdi n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdi n ALA 100 N -3.00 0.00 -0.67 0.00 0.00 -1.26 -4.50 120.51 111.07 2wdi n ALA 100 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2wdi n ALA 100 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2wdi n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wdi n LYS 101 N -0.55 -1.29 0.00 0.00 4.81 -0.50 -4.39 118.16 116.24 2wdi n LYS 101 Ca 0.00 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 2wdi n LYS 101 Cb 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.44 2wdi n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57