#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn n VAL 3 N 0.00 0.00 0.57 5.15 0.31 -1.26 -4.51 118.33 118.59 2wdn n VAL 3 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2wdn n VAL 3 Cb 0.00 -0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.33 2wdn n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wdn n LYS 4 N -0.24 2.39 -1.46 5.55 2.85 -1.26 -5.04 118.16 120.95 2wdn n LYS 4 Ca 0.00 -0.39 -0.49 0.00 -1.05 0.00 0.00 58.31 56.37 2wdn n LYS 4 Cb 0.19 -1.13 -0.04 0.00 -0.65 0.00 0.00 35.03 33.41 2wdn n LYS 4 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2wdn n MET 5 N -0.67 0.29 -3.45 -1.58 2.81 -1.26 -4.95 117.12 108.31 2wdn n MET 5 Ca 0.04 0.10 -0.13 0.00 -1.81 0.00 0.00 57.70 55.90 2wdn n MET 5 Cb 0.23 -1.28 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 2wdn n MET 5 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 2wdn s HIS 6 N -0.76 -0.54 0.00 2.03 -3.43 -1.26 -5.08 115.29 106.25 2wdn s HIS 6 Ca 0.69 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 55.41 2wdn s HIS 6 Cb -0.95 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 30.71 2wdn s HIS 6 CO 0.56 -0.79 0.00 1.33 -2.00 0.00 0.00 174.74 173.84 2wdn n VAL 7 N -0.11 0.00 -3.97 -5.38 0.24 -1.26 -4.78 118.33 103.08 2wdn n VAL 7 Ca -0.17 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.89 2wdn n VAL 7 Cb 0.63 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 2wdn n VAL 7 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2wdn s LYS 8 N -0.84 3.38 0.00 7.34 3.01 -1.26 -5.00 119.74 126.36 2wdn s LYS 8 Ca 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 55.97 54.26 2wdn s LYS 8 Cb 0.00 -2.89 0.00 0.00 -1.01 0.00 0.00 37.83 33.93 2wdn s LYS 8 CO 0.00 0.48 0.00 0.36 0.51 0.00 0.00 175.35 176.70 2wdn n LYS 9 N -0.90 3.17 -0.70 1.68 2.85 -1.26 -4.96 118.16 118.04 2wdn n LYS 9 Ca -0.08 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.93 2wdn n LYS 9 Cb 0.55 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.90 2wdn n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wdn n GLY 10 N 4.99 2.59 0.00 2.58 0.00 -1.26 -4.31 105.19 109.78 2wdn n GLY 10 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2wdn n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdn n ASP 11 N 5.42 0.00 -4.01 1.61 5.68 -1.26 -4.51 116.55 119.47 2wdn n ASP 11 Ca 0.38 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.44 2wdn n ASP 11 Cb 0.19 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.01 2wdn n ASP 11 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2wdn s THR 12 N 3.75 1.00 0.30 2.12 -1.32 -1.26 0.67 115.64 120.90 2wdn s THR 12 Ca 0.00 -0.43 0.06 0.00 -1.21 0.00 0.00 61.69 60.12 2wdn s THR 12 Cb 0.00 -0.91 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 2wdn s THR 12 CO 0.00 0.32 0.27 1.33 -2.21 0.00 0.00 174.62 174.33 2wdn n VAL 13 N 3.65 0.00 -4.35 5.08 0.24 0.17 -3.72 118.33 119.40 2wdn n VAL 13 Ca -0.22 -2.14 -0.29 0.00 -2.04 0.00 0.00 64.34 59.66 2wdn n VAL 13 Cb 0.52 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 2wdn n VAL 13 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wdn s LEU 14 N 0.00 2.67 0.00 1.34 2.96 0.04 -1.44 118.68 124.26 2wdn s LEU 14 Ca 0.35 -1.37 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 2wdn s LEU 14 Cb 0.02 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.65 2wdn s LEU 14 CO 0.25 -0.80 0.00 0.52 -1.32 0.00 0.00 176.35 174.99 2wdn n VAL 15 N -1.37 0.00 -0.46 1.68 0.31 -1.16 -1.33 118.33 116.01 2wdn n VAL 15 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2wdn n VAL 15 Cb 0.66 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 2wdn n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdn n ALA 16 N -3.00 0.00 -1.00 3.52 0.00 -1.25 -4.13 120.51 114.64 2wdn n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdn n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdn n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wdn n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.17 -4.70 113.62 111.16 2wdn n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdn n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wdn n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdn n GLY 18 N 0.00 0.83 0.23 5.00 0.00 -1.26 -4.80 105.19 105.19 2wdn n GLY 18 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2wdn n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdn h LYS 19 N 0.00 0.29 -0.90 1.61 3.64 -2.02 0.58 116.57 119.77 2wdn h LYS 19 Ca 0.00 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.12 2wdn h LYS 19 Cb 0.00 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 31.61 2wdn h LYS 19 CO 0.00 0.19 0.31 0.66 -2.27 0.00 0.00 179.45 178.34 2wdn n TYR 20 N -5.09 1.92 -1.42 1.91 4.02 -1.26 -4.95 117.16 112.29 2wdn n TYR 20 Ca 0.09 -1.13 -0.61 0.00 -0.01 0.00 0.00 57.90 56.24 2wdn n TYR 20 Cb 0.30 -0.62 -0.11 0.00 -0.02 0.00 0.00 39.34 38.89 2wdn n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2wdn n LYS 21 N -0.29 0.17 -1.84 -0.72 3.00 0.20 -3.95 118.16 114.73 2wdn n LYS 21 Ca 0.34 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 2wdn n LYS 21 Cb 1.19 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 34.59 2wdn n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wdn n GLY 22 N 6.34 -5.02 0.00 3.14 0.00 -1.26 -4.66 105.19 103.72 2wdn n GLY 22 Ca 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2wdn n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdn n ARG 23 N 1.40 0.00 -3.24 1.61 0.63 -1.25 -4.83 116.66 110.98 2wdn n ARG 23 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 2wdn n ARG 23 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2wdn n ARG 23 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2wdn s VAL 24 N -0.12 4.75 0.37 5.15 1.01 -1.26 -2.98 120.40 127.32 2wdn s VAL 24 Ca 0.00 0.92 -0.13 0.00 0.00 0.00 0.00 61.98 62.77 2wdn s VAL 24 Cb 0.00 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2wdn s VAL 24 CO 0.00 0.07 0.71 -0.83 0.00 0.00 0.00 175.10 175.05 2wdn s GLY 25 N -1.96 0.59 0.00 4.51 0.00 -0.52 -4.87 107.32 105.08 2wdn s GLY 25 Ca 0.45 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.27 2wdn s GLY 25 CO 0.20 -0.46 0.00 1.17 0.00 0.00 0.00 173.10 174.01 2wdn n LYS 26 N -0.53 3.29 0.00 2.90 4.81 -1.26 -0.66 118.16 126.71 2wdn n LYS 26 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2wdn n LYS 26 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 2wdn n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wdn n VAL 27 N -0.05 0.00 1.29 3.15 0.31 0.21 -3.22 118.33 120.03 2wdn n VAL 27 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2wdn n VAL 27 Cb 0.00 0.00 0.39 0.00 -0.91 0.00 0.00 33.84 33.32 2wdn n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wdn n LYS 28 N 0.00 1.11 -2.65 5.55 0.00 -1.26 -2.88 118.16 118.03 2wdn n LYS 28 Ca 0.00 -0.68 -0.12 0.00 -0.00 0.00 0.00 58.31 57.51 2wdn n LYS 28 Cb 0.00 -1.49 -0.00 0.00 -0.00 0.00 0.00 35.03 33.54 2wdn n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wdn n GLU 29 N -0.36 -2.59 -0.55 -1.58 4.71 -1.26 0.69 120.64 119.71 2wdn n GLU 29 Ca 0.14 0.46 -0.17 0.00 -0.01 0.00 0.00 57.16 57.58 2wdn n GLU 29 Cb 0.36 -5.06 0.00 0.00 -1.01 0.00 0.00 31.44 25.73 2wdn n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wdn n VAL 30 N -3.34 0.02 0.00 2.62 0.31 -1.26 -4.81 118.33 111.87 2wdn n VAL 30 Ca -0.09 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2wdn n VAL 30 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 2wdn n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wdn n LEU 31 N 1.09 1.06 -0.74 7.52 7.99 -1.18 -4.98 117.00 127.76 2wdn n LEU 31 Ca 0.04 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.08 2wdn n LEU 31 Cb 0.20 0.00 0.21 0.00 -0.11 0.00 0.00 43.42 43.72 2wdn n LEU 31 CO 0.24 0.00 0.63 -0.81 -1.51 0.00 0.00 177.39 175.94 2wdn n PRO 32 N -0.37 2.03 -0.29 3.23 -0.04 -1.26 -4.93 135.00 133.37 2wdn n PRO 32 Ca 0.00 -2.94 0.08 0.00 -0.04 0.00 0.00 63.50 60.60 2wdn n PRO 32 Cb 0.00 -1.73 0.30 0.00 -0.04 0.00 0.00 33.50 32.04 2wdn n PRO 32 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wdn h LYS 33 N 1.02 0.84 0.00 0.54 1.57 -1.96 0.22 116.57 118.80 2wdn h LYS 33 Ca 0.07 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2wdn h LYS 33 Cb 1.35 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2wdn h LYS 33 CO 0.19 0.55 -1.37 1.63 -0.57 0.00 0.00 179.45 179.89 2wdn n LYS 34 N -4.55 0.62 -2.82 3.15 5.02 -1.26 -5.00 118.16 113.32 2wdn n LYS 34 Ca 0.16 0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.45 2wdn n LYS 34 Cb 0.34 -1.75 0.03 0.00 -0.02 0.00 0.00 35.03 33.63 2wdn n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2wdn n TYR 35 N -2.65 -0.97 -3.53 2.13 9.36 0.06 -4.96 117.16 116.60 2wdn n TYR 35 Ca -0.05 0.35 0.00 0.00 3.32 0.00 0.00 57.90 61.52 2wdn n TYR 35 Cb 0.66 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.85 2wdn n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wdn n ALA 36 N -3.18 0.00 -2.89 2.98 0.00 -1.26 -0.61 120.51 115.55 2wdn n ALA 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wdn n ALA 36 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wdn n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wdn n VAL 37 N -0.03 0.00 0.09 0.00 0.24 -0.62 -3.08 118.33 114.93 2wdn n VAL 37 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wdn n VAL 37 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wdn n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2wdn n ILE 38 N 0.00 0.00 0.00 1.34 2.08 0.22 -4.08 119.36 118.91 2wdn n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2wdn n ILE 38 Cb 0.00 -0.07 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 2wdn n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2wdn n VAL 39 N -2.93 0.00 -1.48 1.39 0.31 -1.14 -4.08 118.33 110.40 2wdn n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdn n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdn n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wdn n GLU 40 N 8.94 0.00 -2.80 5.55 -0.58 -1.26 -4.45 120.64 126.03 2wdn n GLU 40 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 2wdn n GLU 40 Cb 0.00 -0.22 0.10 0.00 -0.57 0.00 0.00 31.44 30.75 2wdn n GLU 40 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2wdn s GLY 41 N 0.00 1.72 0.10 0.62 0.00 -1.26 -4.94 107.32 103.56 2wdn s GLY 41 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.70 2wdn s GLY 41 CO 0.00 -1.44 0.00 -0.62 0.00 0.00 0.00 173.10 171.04 2wdn n VAL 42 N -2.64 -7.22 -0.30 1.40 0.31 -1.26 -3.83 118.33 104.78 2wdn n VAL 42 Ca 0.17 1.82 0.00 0.00 -0.01 0.00 0.00 64.34 66.31 2wdn n VAL 42 Cb 0.61 -3.29 0.00 0.00 -0.91 0.00 0.00 33.84 30.25 2wdn n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wdn n ASN 43 N 1.78 0.04 0.00 4.52 4.13 -1.26 -0.89 115.26 123.58 2wdn n ASN 43 Ca 0.00 -0.37 0.00 0.00 1.68 0.00 0.00 54.58 55.89 2wdn n ASN 43 Cb 0.00 0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2wdn n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2wdn n ILE 44 N -0.07 0.00 -1.65 2.41 5.41 -1.26 -4.35 119.36 119.85 2wdn n ILE 44 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 2wdn n ILE 44 Cb 0.08 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.08 2wdn n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wdn s VAL 45 N 0.00 2.27 0.00 1.39 1.01 -1.26 -4.82 120.40 118.99 2wdn s VAL 45 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2wdn s VAL 45 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2wdn s VAL 45 CO 0.00 -0.05 0.00 0.29 0.00 0.00 0.00 175.10 175.34 2wdn n LYS 46 N -2.22 0.00 0.00 2.72 5.02 -1.26 -5.07 118.16 117.35 2wdn n LYS 46 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2wdn n LYS 46 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 2wdn n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2wdn n LYS 47 N 0.00 0.00 0.00 1.97 -0.00 -1.26 -5.02 118.16 113.85 2wdn n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wdn n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2wdn n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdn n ALA 48 N 0.00 0.00 1.95 0.58 0.00 -1.25 -4.62 120.51 117.16 2wdn n ALA 48 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2wdn n ALA 48 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 2wdn n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdn n VAL 49 N 0.00 0.00 -0.17 0.00 0.31 -1.26 -2.20 118.33 115.01 2wdn n VAL 49 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2wdn n VAL 49 Cb 0.00 -0.07 -0.01 0.00 -0.91 0.00 0.00 33.84 32.85 2wdn n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdn n ARG 50 N -0.56 -0.37 0.00 5.55 1.74 -1.26 -2.13 116.66 119.63 2wdn n ARG 50 Ca 0.03 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 2wdn n ARG 50 Cb 0.01 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 2wdn n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wdn n VAL 51 N -2.54 0.64 0.00 1.55 0.31 -1.26 -4.30 118.33 112.72 2wdn n VAL 51 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2wdn n VAL 51 Cb 0.08 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 2wdn n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wdn n SER 52 N 0.49 0.00 -2.57 4.52 3.41 -1.26 -4.93 113.62 113.28 2wdn n SER 52 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdn n SER 52 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2wdn n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wdn n PRO 53 N 0.00 0.00 -1.76 4.33 -0.02 -0.91 -4.75 135.00 131.89 2wdn n PRO 53 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2wdn n PRO 53 Cb 0.00 -0.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.79 2wdn n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wdn s LYS 54 N 1.76 4.15 0.36 -0.52 2.20 -1.26 -4.44 119.74 121.99 2wdn s LYS 54 Ca 0.00 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 2wdn s LYS 54 Cb 0.00 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2wdn s LYS 54 CO 0.00 -0.83 0.00 2.48 -0.36 0.00 0.00 175.35 176.64 2wdn n TYR 55 N 5.92 -2.42 0.00 4.03 0.18 -1.26 -4.72 117.16 118.90 2wdn n TYR 55 Ca 0.18 1.32 0.00 0.00 1.88 0.00 0.00 57.90 61.28 2wdn n TYR 55 Cb 0.39 -2.10 0.00 0.00 -0.38 0.00 0.00 39.34 37.25 2wdn n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 2wdn n PRO 56 N -3.01 0.00 0.00 -3.48 -0.02 -1.26 -4.67 135.00 122.56 2wdn n PRO 56 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2wdn n PRO 56 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 2wdn n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wdn n GLN 57 N 1.66 0.00 0.12 -0.52 6.02 -1.26 -4.78 117.38 118.62 2wdn n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wdn n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2wdn n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wdn n GLY 58 N 5.00 -0.94 0.00 1.08 0.00 -1.25 -4.18 105.19 104.89 2wdn n GLY 58 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2wdn n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdn n GLY 59 N 0.23 4.12 0.03 -0.02 0.00 -0.94 -4.88 105.19 103.73 2wdn n GLY 59 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 2wdn n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdn n PHE 60 N -0.53 0.00 -0.27 1.61 3.01 -1.26 -3.86 117.46 116.16 2wdn n PHE 60 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 2wdn n PHE 60 Cb 0.00 -0.34 0.15 0.00 -0.01 0.00 0.00 39.48 39.27 2wdn n PHE 60 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wdn n ILE 61 N -2.13 -0.32 -1.37 4.37 2.08 -1.26 -4.16 119.36 116.56 2wdn n ILE 61 Ca -0.09 1.74 0.18 0.00 0.56 0.00 0.00 62.75 65.13 2wdn n ILE 61 Cb 0.58 -2.44 -0.05 0.00 -0.75 0.00 0.00 39.64 36.98 2wdn n ILE 61 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2wdn n GLU 62 N -5.19 -2.79 -1.68 0.38 4.71 -1.26 -4.83 120.64 109.98 2wdn n GLU 62 Ca 0.14 1.89 0.00 0.00 -0.01 0.00 0.00 57.16 59.18 2wdn n GLU 62 Cb 0.45 -3.39 0.00 0.00 -1.01 0.00 0.00 31.44 27.49 2wdn n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wdn n LYS 63 N -4.05 1.30 -1.92 3.49 5.02 -1.26 -5.07 118.16 115.67 2wdn n LYS 63 Ca -0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2wdn n LYS 63 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 2wdn n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2wdn s GLU 64 N -1.53 3.87 -0.39 1.97 8.01 -1.25 -4.21 118.70 125.17 2wdn s GLU 64 Ca 0.00 2.32 -0.11 0.00 0.01 0.00 0.00 54.97 57.19 2wdn s GLU 64 Cb 0.00 -2.74 0.04 0.00 -4.31 0.00 0.00 34.13 27.12 2wdn s GLU 64 CO 0.00 -0.63 0.23 0.00 0.01 0.00 0.00 175.26 174.86 2wdn s ALA 65 N -1.22 3.29 0.00 5.21 0.00 -0.07 -4.93 121.76 124.05 2wdn s ALA 65 Ca 0.58 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2wdn s ALA 65 Cb -0.41 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2wdn s ALA 65 CO 0.54 -1.46 0.00 -2.30 0.00 0.00 0.00 175.76 172.54 2wdn n PRO 66 N 5.00 0.00 -1.34 0.00 -0.02 -1.26 -4.85 135.00 132.53 2wdn n PRO 66 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2wdn n PRO 66 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 2wdn n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wdn n LEU 67 N 0.00 -4.26 -4.58 2.45 7.94 -1.26 -1.69 117.00 115.59 2wdn n LEU 67 Ca 0.00 1.81 -0.51 0.00 -1.11 0.00 0.00 56.01 56.20 2wdn n LEU 67 Cb 0.00 -2.13 -0.05 0.00 0.53 0.00 0.00 43.42 41.77 2wdn n LEU 67 CO 0.00 -0.93 0.82 1.57 -1.11 0.00 0.00 177.39 177.75 2wdn n HIS 68 N 0.99 1.41 0.26 1.96 -0.00 -1.26 -1.59 115.22 116.98 2wdn n HIS 68 Ca 0.00 0.66 0.17 0.00 -0.00 0.00 0.00 57.72 58.55 2wdn n HIS 68 Cb 0.00 -2.31 0.90 0.00 -0.00 0.00 0.00 29.99 28.59 2wdn n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wdn h ALA 69 N 4.07 1.03 -0.00 1.57 0.00 -1.09 0.15 119.26 124.99 2wdn h ALA 69 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wdn h ALA 69 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2wdn h ALA 69 CO 0.75 -0.03 -0.20 0.45 0.00 0.00 0.00 179.25 180.21 2wdn n SER 70 N -2.69 0.21 0.01 0.00 2.88 -1.26 -3.70 113.62 109.08 2wdn n SER 70 Ca -0.02 0.16 0.13 0.00 -1.33 0.00 0.00 58.87 57.81 2wdn n SER 70 Cb 0.09 -0.19 0.41 0.00 -0.75 0.00 0.00 64.21 63.77 2wdn n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2wdn n LYS 71 N -1.48 0.05 -4.17 -1.46 4.76 0.04 -4.89 118.16 111.00 2wdn n LYS 71 Ca 0.07 0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.29 2wdn n LYS 71 Cb 0.34 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 31.91 2wdn n LYS 71 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2wdn s VAL 72 N -3.02 2.78 -0.00 -0.18 -7.23 -1.24 -3.02 120.40 108.48 2wdn s VAL 72 Ca 0.12 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.51 2wdn s VAL 72 Cb 0.17 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.19 2wdn s VAL 72 CO 0.62 -0.15 0.01 -0.13 -0.31 0.00 0.00 175.10 175.13 2wdn s ARG 73 N -3.82 0.01 1.22 4.82 0.52 -0.44 -4.95 118.95 116.32 2wdn s ARG 73 Ca 0.37 -0.01 -0.18 0.00 -0.52 0.00 0.00 55.73 55.40 2wdn s ARG 73 Cb -0.01 0.01 0.25 0.00 0.52 0.00 0.00 34.95 35.72 2wdn s ARG 73 CO 0.22 -0.00 0.57 -0.35 0.02 0.00 0.00 175.30 175.76 2wdn n PRO 74 N 3.04 -2.96 -3.64 3.54 -0.04 -1.26 -0.78 135.00 132.90 2wdn n PRO 74 Ca -0.12 -0.86 -0.03 0.00 -0.04 0.00 0.00 63.50 62.44 2wdn n PRO 74 Cb 0.60 -1.83 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 2wdn n PRO 74 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2wdn s ILE 75 N -2.20 0.00 -0.27 0.52 2.07 -1.24 -3.83 121.20 116.24 2wdn s ILE 75 Ca 0.58 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.57 2wdn s ILE 75 Cb -0.14 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.55 2wdn s ILE 75 CO 0.57 0.00 0.90 0.00 -1.91 0.00 0.00 174.94 174.49 2wdn n PRO 77 N 2.39 -0.70 0.00 0.00 -0.02 -1.26 -4.33 135.00 131.08 2wdn n PRO 77 Ca -0.13 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.12 2wdn n PRO 77 Cb 0.55 -0.71 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 2wdn n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdn n ALA 78 N -2.81 0.00 -2.12 3.55 0.00 -1.26 -5.06 120.51 112.81 2wdn n ALA 78 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wdn n ALA 78 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2wdn n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdn h GLY 80 N 0.00 0.00 -3.98 0.00 0.00 -1.90 -2.22 103.07 94.97 2wdn h GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wdn h GLY 80 CO 0.00 0.00 -0.70 0.28 0.00 0.00 0.00 176.54 176.12 2wdn n LYS 81 N -3.40 -3.98 -0.79 4.80 5.02 -1.26 -4.20 118.16 114.34 2wdn n LYS 81 Ca -0.01 2.84 -0.33 0.00 -2.02 0.00 0.00 58.31 58.79 2wdn n LYS 81 Cb 0.04 -3.25 0.12 0.00 -0.02 0.00 0.00 35.03 31.93 2wdn n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wdn n PRO 82 N 1.13 -0.38 -3.04 1.97 -0.02 -1.26 -4.79 135.00 128.61 2wdn n PRO 82 Ca 0.00 -0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.13 2wdn n PRO 82 Cb 0.00 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 2wdn n PRO 82 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2wdn s THR 83 N -2.39 4.93 0.00 3.45 -4.23 -1.26 -4.28 115.64 111.86 2wdn s THR 83 Ca 0.57 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 2wdn s THR 83 Cb -0.21 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.86 2wdn s THR 83 CO 0.67 -0.52 0.00 0.54 -0.54 0.00 0.00 174.62 174.77 2wdn n ARG 84 N -1.42 1.88 -3.69 3.99 1.74 0.14 -4.97 116.66 114.33 2wdn n ARG 84 Ca -0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 2wdn n ARG 84 Cb 0.54 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.84 2wdn n ARG 84 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wdn s VAL 85 N -0.88 -0.21 -0.05 1.55 1.01 -1.26 -3.39 120.40 117.17 2wdn s VAL 85 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.28 2wdn s VAL 85 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2wdn s VAL 85 CO 0.00 0.11 -0.14 -0.60 0.00 0.00 0.00 175.10 174.46 2wdn s ARG 86 N 1.89 2.50 0.04 2.72 3.52 -0.50 -4.95 118.95 124.16 2wdn s ARG 86 Ca -0.02 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 54.71 2wdn s ARG 86 Cb -0.12 -2.37 -0.08 0.00 -1.56 0.00 0.00 34.95 30.82 2wdn s ARG 86 CO -0.07 0.62 1.25 1.57 -0.81 0.00 0.00 175.30 177.86 2wdn h LYS 87 N 5.35 -0.47 0.00 5.12 2.10 -1.85 -2.70 116.57 124.13 2wdn h LYS 87 Ca -0.46 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2wdn h LYS 87 Cb 1.15 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2wdn h LYS 87 CO 0.50 -0.31 0.00 1.63 -2.00 0.00 0.00 179.45 179.27 2wdn n LYS 88 N -3.73 0.00 -1.87 0.07 4.01 -1.26 -2.99 118.16 112.39 2wdn n LYS 88 Ca -0.06 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.68 2wdn n LYS 88 Cb 0.22 -0.31 -0.01 0.00 -0.51 0.00 0.00 35.03 34.41 2wdn n LYS 88 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2wdn n PHE 89 N -2.00 -0.23 0.00 2.13 3.01 -1.26 -4.67 117.46 114.44 2wdn n PHE 89 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2wdn n PHE 89 Cb 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 39.48 37.66 2wdn n PHE 89 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 2wdn n LEU 90 N -0.89 0.00 0.00 4.37 -0.00 -1.26 -5.15 117.00 114.06 2wdn n LEU 90 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2wdn n LEU 90 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2wdn n LEU 90 CO 0.09 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.69 2wdn n GLU 91 N 0.00 0.00 -3.53 1.47 0.00 -1.21 -5.16 120.64 112.21 2wdn n GLU 91 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 2wdn n GLU 91 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 2wdn n GLU 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2wdn s ASN 92 N 2.00 -0.63 -0.01 4.31 2.47 -1.16 -4.48 114.94 117.44 2wdn s ASN 92 Ca 0.00 0.91 -0.04 0.00 0.42 0.00 0.00 52.86 54.15 2wdn s ASN 92 Cb 0.00 1.54 0.00 0.00 -1.45 0.00 0.00 41.25 41.34 2wdn s ASN 92 CO 0.00 -0.13 0.08 -0.83 -3.72 0.00 0.00 177.10 172.50 2wdn s GLY 93 N 2.04 0.03 -0.09 1.21 0.00 -1.02 -5.01 107.32 104.49 2wdn s GLY 93 Ca -0.06 -0.03 -0.18 0.00 0.00 0.00 0.00 44.72 44.45 2wdn s GLY 93 CO -0.17 -0.10 0.48 -1.59 0.00 0.00 0.00 173.10 171.72 2wdn s LYS 94 N -0.69 4.28 0.12 2.90 -2.85 -1.26 -1.42 119.74 120.83 2wdn s LYS 94 Ca -0.08 0.47 0.10 0.00 -1.00 0.00 0.00 55.97 55.46 2wdn s LYS 94 Cb -0.05 -3.40 -0.04 0.00 -2.06 0.00 0.00 37.83 32.29 2wdn s LYS 94 CO 0.00 0.25 -0.23 0.15 0.10 0.00 0.00 175.35 175.63 2wdn s LYS 95 N 0.31 1.59 0.00 1.78 1.02 -1.22 -0.99 119.74 122.23 2wdn s LYS 95 Ca 0.26 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 54.99 2wdn s LYS 95 Cb -0.16 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2wdn s LYS 95 CO 0.11 0.47 0.00 -0.89 -0.92 0.00 0.00 175.35 174.12 2wdn n ILE 96 N 0.88 0.00 -3.59 2.17 5.41 0.19 -0.68 119.36 123.74 2wdn n ILE 96 Ca -0.17 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.29 2wdn n ILE 96 Cb 0.53 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.32 2wdn n ILE 96 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2wdn s ARG 97 N 0.00 0.64 -0.59 0.38 6.06 -1.26 -4.07 118.95 120.12 2wdn s ARG 97 Ca 0.00 -1.21 -0.00 0.00 -2.50 0.00 0.00 55.73 52.02 2wdn s ARG 97 Cb 0.00 -1.63 -0.00 0.00 0.06 0.00 0.00 34.95 33.38 2wdn s ARG 97 CO 0.00 -1.10 0.49 0.28 -2.50 0.00 0.00 175.30 172.47 2wdn n VAL 98 N 4.43 -2.95 0.00 7.11 0.31 -1.26 -4.98 118.33 120.98 2wdn n VAL 98 Ca 0.04 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2wdn n VAL 98 Cb 0.39 -3.73 0.00 0.00 -0.91 0.00 0.00 33.84 29.59 2wdn n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdn n ALA 100 N -3.00 0.00 0.00 0.00 0.00 -1.26 -4.66 120.51 111.59 2wdn n ALA 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdn n ALA 100 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdn n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wdn n LYS 101 N 0.00 0.00 0.00 0.00 4.81 -1.26 -0.63 118.16 121.08 2wdn n LYS 101 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wdn n LYS 101 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2wdn n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57