#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl n VAL 3 N 0.00 0.00 0.56 5.15 0.31 -1.26 -4.52 118.33 118.57 2wdl n VAL 3 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2wdl n VAL 3 Cb 0.00 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 2wdl n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wdl n LYS 4 N -0.25 1.81 -1.52 5.55 2.85 -1.26 -5.04 118.16 120.30 2wdl n LYS 4 Ca 0.00 -0.74 -0.48 0.00 -1.05 0.00 0.00 58.31 56.04 2wdl n LYS 4 Cb 0.19 -1.17 -0.03 0.00 -0.65 0.00 0.00 35.03 33.36 2wdl n LYS 4 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2wdl n MET 5 N -0.11 0.79 -3.49 -1.58 2.81 -1.26 -4.95 117.12 109.33 2wdl n MET 5 Ca 0.05 0.28 -0.13 0.00 -1.81 0.00 0.00 57.70 56.10 2wdl n MET 5 Cb 0.27 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 2wdl n MET 5 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 2wdl s HIS 6 N -0.69 -0.48 0.00 2.03 -3.43 -1.26 -5.08 115.29 106.38 2wdl s HIS 6 Ca 0.67 0.35 0.00 0.00 -0.80 0.00 0.00 55.06 55.28 2wdl s HIS 6 Cb -0.86 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 30.76 2wdl s HIS 6 CO 0.56 -0.78 0.00 1.33 -2.00 0.00 0.00 174.74 173.86 2wdl n VAL 7 N -0.13 0.00 -4.01 -5.38 0.24 -1.26 -4.77 118.33 103.02 2wdl n VAL 7 Ca -0.17 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.89 2wdl n VAL 7 Cb 0.63 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 2wdl n VAL 7 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2wdl s LYS 8 N -1.30 3.25 0.00 7.34 3.01 -1.26 -4.99 119.74 125.79 2wdl s LYS 8 Ca 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 55.97 54.18 2wdl s LYS 8 Cb 0.00 -2.81 0.00 0.00 -1.01 0.00 0.00 37.83 34.01 2wdl s LYS 8 CO 0.00 0.46 0.00 0.36 0.51 0.00 0.00 175.35 176.68 2wdl n LYS 9 N -0.90 3.10 -0.65 1.68 2.85 -1.26 -4.96 118.16 118.02 2wdl n LYS 9 Ca -0.08 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.94 2wdl n LYS 9 Cb 0.56 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.91 2wdl n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wdl n GLY 10 N 5.00 2.49 0.00 2.58 0.00 -1.26 -4.30 105.19 109.70 2wdl n GLY 10 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2wdl n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdl n ASP 11 N 5.46 0.00 -3.99 1.61 5.68 -1.26 -4.50 116.55 119.55 2wdl n ASP 11 Ca 0.36 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.43 2wdl n ASP 11 Cb 0.18 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.00 2wdl n ASP 11 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2wdl s THR 12 N 3.67 0.88 0.31 2.12 -1.32 -1.26 0.59 115.64 120.63 2wdl s THR 12 Ca 0.00 -0.36 0.07 0.00 -1.21 0.00 0.00 61.69 60.19 2wdl s THR 12 Cb 0.00 -0.82 -0.02 0.00 -1.51 0.00 0.00 72.50 70.15 2wdl s THR 12 CO 0.00 0.29 0.28 1.33 -2.21 0.00 0.00 174.62 174.31 2wdl n VAL 13 N 3.70 0.00 -4.28 5.08 0.24 0.32 -3.75 118.33 119.65 2wdl n VAL 13 Ca -0.22 -2.23 -0.28 0.00 -2.04 0.00 0.00 64.34 59.56 2wdl n VAL 13 Cb 0.52 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 33.97 2wdl n VAL 13 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wdl s LEU 14 N 0.00 2.65 0.00 1.34 2.96 0.01 -1.27 118.68 124.37 2wdl s LEU 14 Ca 0.37 -1.36 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 2wdl s LEU 14 Cb 0.02 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.64 2wdl s LEU 14 CO 0.26 -0.87 0.00 0.52 -1.32 0.00 0.00 176.35 174.94 2wdl n VAL 15 N -1.44 0.00 -0.56 1.68 0.31 -1.15 -1.52 118.33 115.66 2wdl n VAL 15 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2wdl n VAL 15 Cb 0.65 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 2wdl n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdl n ALA 16 N -3.00 0.00 -1.00 3.52 0.00 -1.25 -4.14 120.51 114.64 2wdl n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdl n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdl n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wdl n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.17 -4.73 113.62 111.13 2wdl n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdl n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wdl n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdl n GLY 18 N 0.00 0.53 0.23 5.00 0.00 -1.26 -4.80 105.19 104.89 2wdl n GLY 18 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wdl n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdl h LYS 19 N 0.00 0.39 -0.87 1.61 3.64 -2.02 0.37 116.57 119.68 2wdl h LYS 19 Ca 0.00 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 2wdl h LYS 19 Cb 0.00 -0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 31.62 2wdl h LYS 19 CO 0.00 0.25 0.24 0.66 -2.27 0.00 0.00 179.45 178.33 2wdl n TYR 20 N -5.00 1.77 -1.45 1.91 4.02 -1.26 -4.95 117.16 112.19 2wdl n TYR 20 Ca 0.08 -0.99 -0.62 0.00 -0.01 0.00 0.00 57.90 56.37 2wdl n TYR 20 Cb 0.27 -0.56 -0.11 0.00 -0.02 0.00 0.00 39.34 38.92 2wdl n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2wdl n LYS 21 N -0.14 0.11 -1.80 -0.72 3.00 0.13 -3.91 118.16 114.83 2wdl n LYS 21 Ca 0.30 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 2wdl n LYS 21 Cb 1.11 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.56 2wdl n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wdl n GLY 22 N 6.10 -4.94 0.00 3.14 0.00 -1.26 -4.67 105.19 103.57 2wdl n GLY 22 Ca 0.45 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2wdl n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdl n ARG 23 N 1.33 0.00 -3.21 1.61 0.63 -1.25 -4.82 116.66 110.95 2wdl n ARG 23 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2wdl n ARG 23 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2wdl n ARG 23 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2wdl s VAL 24 N -0.04 4.69 0.33 5.15 1.01 -1.26 -2.93 120.40 127.35 2wdl s VAL 24 Ca 0.00 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 2wdl s VAL 24 Cb 0.00 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.58 2wdl s VAL 24 CO 0.00 0.26 0.61 -0.83 0.00 0.00 0.00 175.10 175.14 2wdl s GLY 25 N -1.62 0.73 0.00 4.51 0.00 -0.40 -4.87 107.32 105.68 2wdl s GLY 25 Ca 0.40 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2wdl s GLY 25 CO 0.20 -0.58 0.00 1.17 0.00 0.00 0.00 173.10 173.89 2wdl n LYS 26 N -0.50 3.22 0.00 2.90 4.81 -1.26 -0.52 118.16 126.80 2wdl n LYS 26 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2wdl n LYS 26 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 2wdl n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wdl n VAL 27 N -0.07 0.00 1.36 3.15 0.31 0.20 -3.25 118.33 120.03 2wdl n VAL 27 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2wdl n VAL 27 Cb 0.00 0.00 0.45 0.00 -0.91 0.00 0.00 33.84 33.38 2wdl n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wdl n LYS 28 N 0.00 1.22 -2.57 5.55 0.00 -1.26 -2.99 118.16 118.11 2wdl n LYS 28 Ca 0.00 -0.72 -0.10 0.00 -0.00 0.00 0.00 58.31 57.49 2wdl n LYS 28 Cb 0.00 -1.49 -0.00 0.00 -0.00 0.00 0.00 35.03 33.54 2wdl n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wdl n GLU 29 N -0.26 -2.54 -0.54 -1.58 4.71 -1.26 0.68 120.64 119.85 2wdl n GLU 29 Ca 0.15 0.42 -0.17 0.00 -0.01 0.00 0.00 57.16 57.55 2wdl n GLU 29 Cb 0.35 -5.00 0.00 0.00 -1.01 0.00 0.00 31.44 25.78 2wdl n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wdl n VAL 30 N -3.21 0.05 0.00 2.62 0.31 -1.26 -4.81 118.33 112.03 2wdl n VAL 30 Ca -0.09 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2wdl n VAL 30 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2wdl n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wdl n LEU 31 N 1.05 0.92 -0.72 7.52 7.99 -1.17 -4.98 117.00 127.61 2wdl n LEU 31 Ca 0.04 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.08 2wdl n LEU 31 Cb 0.19 0.00 0.20 0.00 -0.11 0.00 0.00 43.42 43.71 2wdl n LEU 31 CO 0.23 0.00 0.60 -0.81 -1.51 0.00 0.00 177.39 175.91 2wdl n PRO 32 N -0.29 1.92 -0.29 3.23 -0.04 -1.26 -4.93 135.00 133.34 2wdl n PRO 32 Ca 0.00 -2.97 0.08 0.00 -0.04 0.00 0.00 63.50 60.57 2wdl n PRO 32 Cb 0.00 -1.71 0.30 0.00 -0.04 0.00 0.00 33.50 32.05 2wdl n PRO 32 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wdl h LYS 33 N 0.95 0.84 0.00 0.54 1.57 -1.96 0.09 116.57 118.61 2wdl h LYS 33 Ca 0.07 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2wdl h LYS 33 Cb 1.32 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2wdl h LYS 33 CO 0.18 0.56 -1.37 1.63 -0.57 0.00 0.00 179.45 179.88 2wdl n LYS 34 N -4.54 0.62 -2.82 3.15 5.02 -1.26 -5.00 118.16 113.33 2wdl n LYS 34 Ca 0.16 0.10 -0.07 0.00 -2.02 0.00 0.00 58.31 56.48 2wdl n LYS 34 Cb 0.33 -1.76 0.02 0.00 -0.02 0.00 0.00 35.03 33.60 2wdl n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2wdl n TYR 35 N -2.69 -0.87 -3.48 2.13 9.36 0.02 -4.96 117.16 116.67 2wdl n TYR 35 Ca -0.06 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.47 2wdl n TYR 35 Cb 0.69 -2.25 0.00 0.00 -0.63 0.00 0.00 39.34 37.15 2wdl n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wdl n ALA 36 N -3.21 0.00 -2.84 2.98 0.00 -1.26 -0.55 120.51 115.62 2wdl n ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdl n ALA 36 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wdl n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wdl n VAL 37 N -0.05 0.00 0.13 0.00 0.24 -0.57 -3.04 118.33 115.03 2wdl n VAL 37 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wdl n VAL 37 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wdl n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2wdl n ILE 38 N 0.00 0.00 0.00 1.34 2.08 0.22 -4.11 119.36 118.88 2wdl n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2wdl n ILE 38 Cb 0.00 -0.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.80 2wdl n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2wdl n VAL 39 N -3.09 0.00 -1.34 1.39 0.31 -1.16 -4.08 118.33 110.35 2wdl n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdl n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdl n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wdl n GLU 40 N 10.13 0.00 -2.69 5.55 -0.58 -1.26 -4.47 120.64 127.32 2wdl n GLU 40 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 2wdl n GLU 40 Cb 0.00 -0.22 0.10 0.00 -0.57 0.00 0.00 31.44 30.75 2wdl n GLU 40 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2wdl s GLY 41 N 0.00 1.75 0.10 0.62 0.00 -1.26 -4.94 107.32 103.60 2wdl s GLY 41 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.88 2wdl s GLY 41 CO 0.00 -1.29 0.00 -0.62 0.00 0.00 0.00 173.10 171.19 2wdl n VAL 42 N -2.71 -7.83 -0.21 1.40 0.31 -1.26 -3.88 118.33 104.16 2wdl n VAL 42 Ca 0.15 1.96 0.00 0.00 -0.01 0.00 0.00 64.34 66.45 2wdl n VAL 42 Cb 0.61 -3.54 0.00 0.00 -0.91 0.00 0.00 33.84 30.00 2wdl n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wdl n ASN 43 N 1.81 0.04 0.00 4.52 4.13 -1.26 -0.98 115.26 123.52 2wdl n ASN 43 Ca 0.00 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.95 2wdl n ASN 43 Cb 0.00 0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 2wdl n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2wdl n ILE 44 N -0.12 0.00 -1.62 2.41 5.41 -1.26 -4.36 119.36 119.82 2wdl n ILE 44 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 2wdl n ILE 44 Cb 0.05 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.06 2wdl n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wdl s VAL 45 N 0.00 2.25 0.00 1.39 1.01 -1.26 -4.82 120.40 118.97 2wdl s VAL 45 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2wdl s VAL 45 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2wdl s VAL 45 CO 0.00 -0.05 0.00 0.29 0.00 0.00 0.00 175.10 175.34 2wdl n LYS 46 N -2.29 0.00 0.00 2.72 5.02 -1.26 -5.07 118.16 117.28 2wdl n LYS 46 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2wdl n LYS 46 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 2wdl n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2wdl n LYS 47 N 0.00 0.00 0.00 1.97 -0.00 -1.26 -5.02 118.16 113.85 2wdl n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wdl n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2wdl n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdl n ALA 48 N 0.00 0.00 1.97 0.58 0.00 -1.25 -4.61 120.51 117.20 2wdl n ALA 48 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2wdl n ALA 48 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 2wdl n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdl n VAL 49 N 0.00 0.00 -0.11 0.00 0.31 -1.26 -2.24 118.33 115.03 2wdl n VAL 49 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2wdl n VAL 49 Cb 0.00 -0.07 -0.01 0.00 -0.91 0.00 0.00 33.84 32.85 2wdl n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdl n ARG 50 N -0.56 -0.24 0.00 5.55 1.74 -1.26 -2.09 116.66 119.79 2wdl n ARG 50 Ca 0.03 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2wdl n ARG 50 Cb 0.01 -0.29 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2wdl n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wdl n VAL 51 N -2.48 0.63 0.00 1.55 0.31 -1.26 -4.31 118.33 112.77 2wdl n VAL 51 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdl n VAL 51 Cb 0.05 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2wdl n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wdl n SER 52 N 0.49 0.00 -2.58 4.52 3.41 -1.26 -4.93 113.62 113.27 2wdl n SER 52 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdl n SER 52 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2wdl n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wdl n PRO 53 N 0.00 0.00 -1.78 4.33 -0.02 -0.89 -4.75 135.00 131.89 2wdl n PRO 53 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2wdl n PRO 53 Cb 0.00 -0.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.80 2wdl n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wdl s LYS 54 N 1.81 4.16 0.35 -0.52 2.20 -1.26 -4.45 119.74 122.03 2wdl s LYS 54 Ca 0.00 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 2wdl s LYS 54 Cb 0.00 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2wdl s LYS 54 CO 0.00 -0.81 0.00 2.48 -0.36 0.00 0.00 175.35 176.66 2wdl n TYR 55 N 5.70 -2.33 0.00 4.03 0.18 -1.26 -4.72 117.16 118.76 2wdl n TYR 55 Ca 0.17 1.28 0.00 0.00 1.88 0.00 0.00 57.90 61.23 2wdl n TYR 55 Cb 0.39 -2.03 0.00 0.00 -0.38 0.00 0.00 39.34 37.32 2wdl n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 2wdl n PRO 56 N -3.02 0.00 0.00 -3.48 -0.02 -1.26 -4.66 135.00 122.56 2wdl n PRO 56 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2wdl n PRO 56 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.81 2wdl n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wdl n GLN 57 N 1.43 0.00 0.14 -0.52 6.02 -1.26 -4.78 117.38 118.41 2wdl n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wdl n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2wdl n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wdl n GLY 58 N 5.00 -1.08 0.00 1.08 0.00 -1.25 -4.18 105.19 104.76 2wdl n GLY 58 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2wdl n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 59 N -0.03 4.12 0.03 -0.02 0.00 -0.95 -4.89 105.19 103.44 2wdl n GLY 59 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 2wdl n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdl n PHE 60 N -0.56 0.00 -0.26 1.61 3.01 -1.26 -3.85 117.46 116.14 2wdl n PHE 60 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 2wdl n PHE 60 Cb 0.00 -0.32 0.15 0.00 -0.01 0.00 0.00 39.48 39.31 2wdl n PHE 60 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wdl n ILE 61 N -2.11 -0.31 -1.33 4.37 2.08 -1.26 -4.17 119.36 116.63 2wdl n ILE 61 Ca -0.09 1.67 0.18 0.00 0.56 0.00 0.00 62.75 65.07 2wdl n ILE 61 Cb 0.56 -2.36 -0.05 0.00 -0.75 0.00 0.00 39.64 37.04 2wdl n ILE 61 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2wdl n GLU 62 N -5.13 -2.71 -1.88 0.38 4.71 -1.26 -4.82 120.64 109.92 2wdl n GLU 62 Ca 0.14 1.84 0.00 0.00 -0.01 0.00 0.00 57.16 59.13 2wdl n GLU 62 Cb 0.45 -3.29 0.00 0.00 -1.01 0.00 0.00 31.44 27.59 2wdl n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wdl n LYS 63 N -3.96 1.21 -1.88 3.49 5.02 -1.26 -5.06 118.16 115.72 2wdl n LYS 63 Ca -0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2wdl n LYS 63 Cb 0.66 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.68 2wdl n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2wdl s GLU 64 N -1.83 3.78 -0.38 1.97 8.01 -1.25 -4.26 118.70 124.75 2wdl s GLU 64 Ca 0.00 2.34 -0.10 0.00 0.01 0.00 0.00 54.97 57.21 2wdl s GLU 64 Cb 0.00 -2.69 0.04 0.00 -4.31 0.00 0.00 34.13 27.17 2wdl s GLU 64 CO 0.00 -0.71 0.21 0.00 0.01 0.00 0.00 175.26 174.76 2wdl s ALA 65 N -1.22 3.26 0.00 5.21 0.00 -0.15 -4.93 121.76 123.93 2wdl s ALA 65 Ca 0.60 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2wdl s ALA 65 Cb -0.42 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2wdl s ALA 65 CO 0.54 -1.43 0.00 -2.30 0.00 0.00 0.00 175.76 172.57 2wdl n PRO 66 N 4.97 0.00 -1.26 0.00 -0.02 -1.26 -4.85 135.00 132.58 2wdl n PRO 66 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2wdl n PRO 66 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 2wdl n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wdl n LEU 67 N 0.00 -4.15 -4.61 2.45 7.94 -1.26 -1.68 117.00 115.69 2wdl n LEU 67 Ca 0.00 1.70 -0.50 0.00 -1.11 0.00 0.00 56.01 56.10 2wdl n LEU 67 Cb 0.00 -1.97 -0.05 0.00 0.53 0.00 0.00 43.42 41.93 2wdl n LEU 67 CO 0.00 -0.82 0.96 1.57 -1.11 0.00 0.00 177.39 177.99 2wdl n HIS 68 N 0.84 1.69 0.25 1.96 -0.00 -1.26 -1.52 115.22 117.19 2wdl n HIS 68 Ca 0.00 0.55 0.15 0.00 -0.00 0.00 0.00 57.72 58.42 2wdl n HIS 68 Cb 0.00 -2.38 0.83 0.00 -0.00 0.00 0.00 29.99 28.44 2wdl n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wdl h ALA 69 N 4.77 1.07 -0.00 1.57 0.00 -1.06 0.10 119.26 125.71 2wdl h ALA 69 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wdl h ALA 69 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2wdl h ALA 69 CO 0.80 -0.07 -0.24 0.45 0.00 0.00 0.00 179.25 180.19 2wdl n SER 70 N -2.62 0.24 0.01 0.00 2.88 -1.26 -3.74 113.62 109.14 2wdl n SER 70 Ca -0.02 0.13 0.13 0.00 -1.33 0.00 0.00 58.87 57.78 2wdl n SER 70 Cb 0.12 -0.14 0.45 0.00 -0.75 0.00 0.00 64.21 63.89 2wdl n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2wdl n LYS 71 N -1.49 0.05 -4.19 -1.46 4.76 0.35 -4.89 118.16 111.29 2wdl n LYS 71 Ca 0.06 0.03 -0.24 0.00 -2.87 0.00 0.00 58.31 55.30 2wdl n LYS 71 Cb 0.34 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 31.91 2wdl n LYS 71 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2wdl s VAL 72 N -3.02 2.89 0.00 -0.18 -7.23 -1.25 -3.05 120.40 108.56 2wdl s VAL 72 Ca 0.12 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2wdl s VAL 72 Cb 0.17 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 2wdl s VAL 72 CO 0.61 -0.19 -0.00 -0.13 -0.31 0.00 0.00 175.10 175.07 2wdl s ARG 73 N -3.80 0.02 1.22 4.82 0.52 -0.57 -4.95 118.95 116.21 2wdl s ARG 73 Ca 0.37 -0.01 -0.18 0.00 -0.52 0.00 0.00 55.73 55.39 2wdl s ARG 73 Cb -0.02 -0.01 0.25 0.00 0.52 0.00 0.00 34.95 35.69 2wdl s ARG 73 CO 0.21 0.00 0.57 -0.35 0.02 0.00 0.00 175.30 175.76 2wdl n PRO 74 N 3.06 -2.89 -3.64 3.54 -0.04 -1.26 -0.81 135.00 132.95 2wdl n PRO 74 Ca -0.12 -0.84 -0.03 0.00 -0.04 0.00 0.00 63.50 62.46 2wdl n PRO 74 Cb 0.60 -1.84 -0.07 0.00 -0.04 0.00 0.00 33.50 32.15 2wdl n PRO 74 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2wdl s ILE 75 N -2.22 0.00 -0.28 0.52 2.07 -1.25 -3.79 121.20 116.26 2wdl s ILE 75 Ca 0.59 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.59 2wdl s ILE 75 Cb -0.15 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.54 2wdl s ILE 75 CO 0.58 0.00 0.88 0.00 -1.91 0.00 0.00 174.94 174.49 2wdl n PRO 77 N 2.55 -0.64 0.00 0.00 -0.02 -1.26 -4.36 135.00 131.27 2wdl n PRO 77 Ca -0.14 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2wdl n PRO 77 Cb 0.56 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.20 2wdl n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdl n ALA 78 N -3.05 0.00 -2.08 3.55 0.00 -1.26 -5.06 120.51 112.61 2wdl n ALA 78 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wdl n ALA 78 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2wdl n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdl h GLY 80 N 0.00 0.00 -3.90 0.00 0.00 -1.90 -2.11 103.07 95.15 2wdl h GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wdl h GLY 80 CO 0.00 0.00 -0.65 0.28 0.00 0.00 0.00 176.54 176.17 2wdl n LYS 81 N -3.74 -3.69 -0.76 4.80 5.02 -1.26 -4.18 118.16 114.35 2wdl n LYS 81 Ca -0.02 2.63 -0.33 0.00 -2.02 0.00 0.00 58.31 58.57 2wdl n LYS 81 Cb 0.09 -3.04 0.13 0.00 -0.02 0.00 0.00 35.03 32.19 2wdl n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wdl n PRO 82 N 1.10 -0.48 -3.09 1.97 -0.02 -1.26 -4.78 135.00 128.44 2wdl n PRO 82 Ca 0.00 -0.10 -0.29 0.00 -2.02 0.00 0.00 63.50 61.09 2wdl n PRO 82 Cb 0.00 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 2wdl n PRO 82 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2wdl s THR 83 N -2.41 4.93 0.00 3.45 -4.23 -1.26 -4.30 115.64 111.82 2wdl s THR 83 Ca 0.58 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 2wdl s THR 83 Cb -0.21 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2wdl s THR 83 CO 0.66 -0.47 0.00 0.54 -0.54 0.00 0.00 174.62 174.82 2wdl n ARG 84 N -1.26 1.82 -3.71 3.99 1.74 0.26 -4.97 116.66 114.53 2wdl n ARG 84 Ca -0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 2wdl n ARG 84 Cb 0.54 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.83 2wdl n ARG 84 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wdl s VAL 85 N -0.98 -0.14 -0.03 1.55 1.01 -1.26 -3.28 120.40 117.26 2wdl s VAL 85 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.31 2wdl s VAL 85 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2wdl s VAL 85 CO 0.00 0.12 -0.14 -0.60 0.00 0.00 0.00 175.10 174.48 2wdl s ARG 86 N 1.74 2.45 0.04 2.72 3.52 -0.38 -4.95 118.95 124.09 2wdl s ARG 86 Ca -0.02 -0.73 -0.18 0.00 -0.13 0.00 0.00 55.73 54.66 2wdl s ARG 86 Cb -0.12 -2.37 -0.09 0.00 -1.56 0.00 0.00 34.95 30.81 2wdl s ARG 86 CO -0.05 0.61 1.28 1.57 -0.81 0.00 0.00 175.30 177.90 2wdl h LYS 87 N 5.16 -0.53 0.00 5.12 2.10 -1.85 -2.75 116.57 123.82 2wdl h LYS 87 Ca -0.47 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2wdl h LYS 87 Cb 1.15 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2wdl h LYS 87 CO 0.50 -0.35 0.00 1.63 -2.00 0.00 0.00 179.45 179.23 2wdl n LYS 88 N -3.85 0.00 -1.84 0.07 4.01 -1.26 -3.05 118.16 112.23 2wdl n LYS 88 Ca -0.07 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.67 2wdl n LYS 88 Cb 0.24 -0.33 -0.01 0.00 -0.51 0.00 0.00 35.03 34.42 2wdl n LYS 88 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2wdl n PHE 89 N -2.00 -0.21 0.00 2.13 3.01 -1.26 -4.68 117.46 114.45 2wdl n PHE 89 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2wdl n PHE 89 Cb 0.00 -1.74 0.00 0.00 -0.01 0.00 0.00 39.48 37.73 2wdl n PHE 89 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 2wdl n LEU 90 N -0.84 0.00 0.00 4.37 -0.00 -1.26 -5.15 117.00 114.12 2wdl n LEU 90 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2wdl n LEU 90 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2wdl n LEU 90 CO 0.09 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.69 2wdl n GLU 91 N 0.00 0.00 -3.55 1.47 0.00 -1.21 -5.16 120.64 112.18 2wdl n GLU 91 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 2wdl n GLU 91 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 2wdl n GLU 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2wdl s ASN 92 N 2.00 -0.66 -0.03 4.31 2.47 -1.17 -4.49 114.94 117.36 2wdl s ASN 92 Ca 0.00 0.98 -0.06 0.00 0.42 0.00 0.00 52.86 54.20 2wdl s ASN 92 Cb 0.00 1.54 0.01 0.00 -1.45 0.00 0.00 41.25 41.35 2wdl s ASN 92 CO 0.00 -0.15 0.15 -0.83 -3.72 0.00 0.00 177.10 172.55 2wdl s GLY 93 N 1.99 -0.04 -0.08 1.21 0.00 -1.04 -5.01 107.32 104.36 2wdl s GLY 93 Ca -0.06 0.18 -0.18 0.00 0.00 0.00 0.00 44.72 44.66 2wdl s GLY 93 CO -0.17 0.09 0.47 -1.59 0.00 0.00 0.00 173.10 171.90 2wdl s LYS 94 N -0.57 4.26 0.11 2.90 -2.85 -1.26 -1.25 119.74 121.07 2wdl s LYS 94 Ca -0.07 0.46 0.10 0.00 -1.00 0.00 0.00 55.97 55.46 2wdl s LYS 94 Cb -0.04 -3.38 -0.04 0.00 -2.06 0.00 0.00 37.83 32.31 2wdl s LYS 94 CO 0.01 0.29 -0.23 0.15 0.10 0.00 0.00 175.35 175.66 2wdl s LYS 95 N 0.20 1.63 0.00 1.78 1.02 -1.21 -1.11 119.74 122.05 2wdl s LYS 95 Ca 0.26 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 55.01 2wdl s LYS 95 Cb -0.16 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2wdl s LYS 95 CO 0.11 0.47 0.00 -0.89 -0.92 0.00 0.00 175.35 174.13 2wdl n ILE 96 N 1.03 0.00 -3.56 2.17 5.41 0.14 -0.58 119.36 123.98 2wdl n ILE 96 Ca -0.17 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.29 2wdl n ILE 96 Cb 0.53 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.32 2wdl n ILE 96 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2wdl s ARG 97 N 0.00 0.54 -0.58 0.38 6.06 -1.26 -4.05 118.95 120.03 2wdl s ARG 97 Ca 0.00 -1.10 -0.00 0.00 -2.50 0.00 0.00 55.73 52.12 2wdl s ARG 97 Cb 0.00 -1.47 -0.00 0.00 0.06 0.00 0.00 34.95 33.54 2wdl s ARG 97 CO 0.00 -1.11 0.49 0.28 -2.50 0.00 0.00 175.30 172.46 2wdl n VAL 98 N 4.50 -3.11 0.00 7.11 0.31 -1.26 -4.99 118.33 120.90 2wdl n VAL 98 Ca 0.04 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2wdl n VAL 98 Cb 0.39 -3.81 0.00 0.00 -0.91 0.00 0.00 33.84 29.51 2wdl n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdl n ALA 100 N -3.00 0.00 0.00 0.00 0.00 -1.26 -4.66 120.51 111.58 2wdl n ALA 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdl n ALA 100 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdl n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wdl n LYS 101 N 0.00 0.00 0.00 0.00 4.81 -1.26 -0.68 118.16 121.03 2wdl n LYS 101 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wdl n LYS 101 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2wdl n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57