#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n VAL 3 N 0.00 0.00 -1.70 5.15 0.31 -1.26 -4.33 118.33 116.50 2wh4 n VAL 3 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2wh4 n VAL 3 Cb 0.00 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.06 2wh4 n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wh4 n LYS 4 N -1.34 1.02 -2.06 5.55 -0.00 -1.26 -5.08 118.16 114.99 2wh4 n LYS 4 Ca 0.00 -2.62 -0.41 0.00 -0.00 0.00 0.00 58.31 55.28 2wh4 n LYS 4 Cb 0.00 -1.14 -0.02 0.00 -0.00 0.00 0.00 35.03 33.87 2wh4 n LYS 4 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2wh4 s MET 5 N -2.14 4.31 0.15 -1.58 -1.94 -1.26 -5.01 119.30 111.83 2wh4 s MET 5 Ca 0.32 2.28 -0.16 0.00 -1.71 0.00 0.00 55.69 56.41 2wh4 s MET 5 Cb 0.31 -3.06 0.03 0.00 2.01 0.00 0.00 34.83 34.12 2wh4 s MET 5 CO -0.06 -0.27 0.44 -3.38 -0.01 0.00 0.00 175.02 171.74 2wh4 s HIS 6 N -1.00 -0.14 0.00 -0.03 -3.43 -1.26 -4.97 115.29 104.47 2wh4 s HIS 6 Ca 0.51 -0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 2wh4 s HIS 6 Cb -0.41 0.28 0.00 0.00 -1.43 0.00 0.00 32.58 31.03 2wh4 s HIS 6 CO 0.53 -0.78 0.06 1.33 -2.00 0.00 0.00 174.74 173.89 2wh4 n VAL 7 N -0.27 0.00 -3.17 -5.38 0.24 -1.26 -4.83 118.33 103.67 2wh4 n VAL 7 Ca -0.13 0.10 -0.17 0.00 -2.04 0.00 0.00 64.34 62.09 2wh4 n VAL 7 Cb 0.63 -0.13 0.05 0.00 -1.47 0.00 0.00 33.84 32.92 2wh4 n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wh4 n LYS 8 N -1.74 0.70 0.00 7.34 4.01 -1.26 -5.00 118.16 122.21 2wh4 n LYS 8 Ca 0.00 -2.61 0.00 0.00 -0.51 0.00 0.00 58.31 55.19 2wh4 n LYS 8 Cb 0.00 -0.11 0.00 0.00 -0.51 0.00 0.00 35.03 34.41 2wh4 n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2wh4 n LYS 9 N -1.96 0.00 -0.27 1.97 2.85 -1.26 -5.01 118.16 114.49 2wh4 n LYS 9 Ca 0.11 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.45 2wh4 n LYS 9 Cb 0.50 0.00 0.23 0.00 -0.65 0.00 0.00 35.03 35.10 2wh4 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wh4 n GLY 10 N 0.00 1.41 0.00 2.58 0.00 -1.26 -4.15 105.19 103.77 2wh4 n GLY 10 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2wh4 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh4 n ASP 11 N 0.97 0.00 -4.59 1.61 5.68 -1.26 -4.37 116.55 114.59 2wh4 n ASP 11 Ca 0.17 -0.01 -0.34 0.00 -0.50 0.00 0.00 54.79 54.11 2wh4 n ASP 11 Cb 0.44 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.32 2wh4 n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2wh4 s THR 12 N 0.17 4.32 0.25 2.12 2.01 -1.26 -3.00 115.64 120.25 2wh4 s THR 12 Ca 0.00 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.83 2wh4 s THR 12 Cb 0.00 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2wh4 s THR 12 CO 0.00 0.51 -0.00 0.68 -0.69 0.00 0.00 174.62 175.12 2wh4 s VAL 13 N 0.05 1.12 -0.12 3.82 -7.23 -0.50 -3.69 120.40 113.85 2wh4 s VAL 13 Ca 0.03 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2wh4 s VAL 13 Cb -0.13 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 2wh4 s VAL 13 CO 0.02 -0.28 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.18 2wh4 s LEU 14 N -3.34 2.70 0.36 1.32 2.96 0.56 -0.61 118.68 122.63 2wh4 s LEU 14 Ca 0.30 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.70 2wh4 s LEU 14 Cb 0.06 -1.60 -0.10 0.00 0.50 0.00 0.00 46.19 45.05 2wh4 s LEU 14 CO 0.10 0.20 0.86 -0.69 -1.32 0.00 0.00 176.35 175.49 2wh4 s VAL 15 N 0.17 4.48 0.00 1.68 1.01 -0.40 0.99 120.40 128.33 2wh4 s VAL 15 Ca -0.08 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2wh4 s VAL 15 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2wh4 s VAL 15 CO 0.05 -0.18 0.40 0.00 0.00 0.00 0.00 175.10 175.37 2wh4 n ALA 16 N -0.29 0.95 -1.00 5.51 0.00 -0.41 -1.77 120.51 123.50 2wh4 n ALA 16 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2wh4 n ALA 16 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wh4 n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wh4 n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.24 -4.80 113.62 110.99 2wh4 n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wh4 n SER 17 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2wh4 n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh4 n GLY 18 N 0.00 1.58 0.32 5.00 0.00 -1.26 -4.55 105.19 106.28 2wh4 n GLY 18 Ca 0.00 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.05 2wh4 n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wh4 h LYS 19 N 0.00 0.14 -0.31 1.61 3.64 -2.05 0.80 116.57 120.40 2wh4 h LYS 19 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wh4 h LYS 19 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2wh4 h LYS 19 CO 0.00 0.10 0.00 0.66 -2.27 0.00 0.00 179.45 177.94 2wh4 n TYR 20 N -5.28 0.41 -1.32 1.91 4.02 -1.26 -4.97 117.16 110.66 2wh4 n TYR 20 Ca 0.23 -0.20 -0.50 0.00 -0.01 0.00 0.00 57.90 57.42 2wh4 n TYR 20 Cb 0.76 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.02 2wh4 n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2wh4 n LYS 21 N 0.86 0.00 0.00 -0.72 3.00 0.28 -2.14 118.16 119.44 2wh4 n LYS 21 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2wh4 n LYS 21 Cb 0.44 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.26 2wh4 n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wh4 n GLY 22 N 1.47 3.04 3.76 3.14 0.00 -0.73 -4.92 105.19 110.95 2wh4 n GLY 22 Ca 0.17 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2wh4 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 n ARG 23 N 0.00 2.60 -3.91 1.61 1.74 -0.91 -4.55 116.66 113.25 2wh4 n ARG 23 Ca 0.00 0.92 -0.33 0.00 -0.77 0.00 0.00 57.85 57.67 2wh4 n ARG 23 Cb 0.00 -2.64 -0.05 0.00 -1.02 0.00 0.00 32.46 28.75 2wh4 n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wh4 s VAL 24 N -0.83 5.42 0.21 1.55 1.01 -1.26 -1.28 120.40 125.21 2wh4 s VAL 24 Ca 0.56 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 2wh4 s VAL 24 Cb -0.50 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2wh4 s VAL 24 CO 0.60 0.27 0.37 -0.83 0.00 0.00 0.00 175.10 175.50 2wh4 s GLY 25 N -2.11 0.62 0.00 4.51 0.00 0.22 -4.88 107.32 105.68 2wh4 s GLY 25 Ca 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.05 2wh4 s GLY 25 CO 0.22 -0.79 0.00 1.17 0.00 0.00 0.00 173.10 173.69 2wh4 n LYS 26 N -0.31 3.05 -1.75 2.90 4.81 -1.26 -1.40 118.16 124.20 2wh4 n LYS 26 Ca -0.03 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.99 2wh4 n LYS 26 Cb 0.63 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.68 2wh4 n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wh4 n VAL 27 N 0.00 2.12 -1.00 3.15 0.31 -1.16 -4.11 118.33 117.64 2wh4 n VAL 27 Ca 0.00 -0.50 0.09 0.00 -0.01 0.00 0.00 64.34 63.92 2wh4 n VAL 27 Cb 0.00 -1.81 0.25 0.00 -0.91 0.00 0.00 33.84 31.36 2wh4 n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wh4 n LYS 28 N 0.38 2.72 -1.24 5.55 0.00 -1.26 -3.12 118.16 121.19 2wh4 n LYS 28 Ca 0.03 -2.81 -0.03 0.00 -0.00 0.00 0.00 58.31 55.50 2wh4 n LYS 28 Cb 0.38 -1.80 0.00 0.00 -0.00 0.00 0.00 35.03 33.61 2wh4 n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wh4 n GLU 29 N -0.62 -0.12 -0.75 -1.58 4.71 -1.26 0.42 120.64 121.43 2wh4 n GLU 29 Ca 0.21 0.09 -0.33 0.00 -0.01 0.00 0.00 57.16 57.12 2wh4 n GLU 29 Cb 0.86 -0.13 0.14 0.00 -1.01 0.00 0.00 31.44 31.30 2wh4 n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wh4 n VAL 30 N -0.04 0.00 0.00 2.62 0.31 -1.26 -4.53 118.33 115.43 2wh4 n VAL 30 Ca -0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2wh4 n VAL 30 Cb 0.04 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 2wh4 n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wh4 n LEU 31 N -1.42 0.00 -0.35 7.52 7.99 -1.20 -4.98 117.00 124.56 2wh4 n LEU 31 Ca 0.04 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.12 2wh4 n LEU 31 Cb 0.57 -0.28 0.17 0.00 -0.11 0.00 0.00 43.42 43.78 2wh4 n LEU 31 CO 0.51 -0.29 0.46 -0.81 -1.51 0.00 0.00 177.39 175.75 2wh4 n PRO 32 N -2.08 1.42 -0.16 3.23 -0.04 -1.26 -4.96 135.00 131.14 2wh4 n PRO 32 Ca 0.00 -2.94 -0.02 0.00 -0.04 0.00 0.00 63.50 60.51 2wh4 n PRO 32 Cb 0.00 -1.54 0.06 0.00 -0.04 0.00 0.00 33.50 31.98 2wh4 n PRO 32 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wh4 h LYS 33 N 0.52 0.09 -0.00 0.54 1.57 -1.95 0.85 116.57 118.19 2wh4 h LYS 33 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wh4 h LYS 33 Cb 1.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2wh4 h LYS 33 CO 0.00 0.06 -0.05 1.63 -0.57 0.00 0.00 179.45 180.53 2wh4 n LYS 34 N -5.26 0.38 -3.34 3.15 5.02 -1.26 -4.94 118.16 111.91 2wh4 n LYS 34 Ca 0.06 -0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 2wh4 n LYS 34 Cb 0.28 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.86 2wh4 n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2wh4 n TYR 35 N -1.27 -2.35 -4.23 2.13 9.36 0.30 -4.95 117.16 116.15 2wh4 n TYR 35 Ca 0.13 0.83 -0.13 0.00 3.32 0.00 0.00 57.90 62.05 2wh4 n TYR 35 Cb 0.27 -4.22 -0.04 0.00 -0.63 0.00 0.00 39.34 34.72 2wh4 n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wh4 n ALA 36 N -3.50 0.37 -3.00 2.98 0.00 -1.26 -2.15 120.51 113.95 2wh4 n ALA 36 Ca -0.11 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.16 2wh4 n ALA 36 Cb 0.63 0.86 0.00 0.00 0.00 0.00 0.00 19.45 20.93 2wh4 n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wh4 n VAL 37 N -0.45 0.00 0.03 0.00 0.24 -0.46 -3.20 118.33 114.48 2wh4 n VAL 37 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wh4 n VAL 37 Cb 0.35 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 2wh4 n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2wh4 n ILE 38 N 0.00 0.00 -0.10 1.34 2.08 0.17 -4.41 119.36 118.44 2wh4 n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2wh4 n ILE 38 Cb 0.00 -0.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.80 2wh4 n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2wh4 n VAL 39 N -2.62 0.00 -0.99 1.39 0.31 -1.18 -3.98 118.33 111.25 2wh4 n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wh4 n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wh4 n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wh4 n GLU 40 N 14.00 0.01 -0.28 5.55 -0.58 -1.26 -4.70 120.64 133.39 2wh4 n GLU 40 Ca 0.00 -0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 2wh4 n GLU 40 Cb 0.00 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 2wh4 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wh4 n GLY 41 N -0.00 0.45 1.86 0.62 0.00 -1.26 -4.85 105.19 102.01 2wh4 n GLY 41 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2wh4 n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh4 n VAL 42 N -0.85 -1.00 -5.06 1.61 0.31 -1.26 -4.29 118.33 107.78 2wh4 n VAL 42 Ca 0.00 0.24 -0.32 0.00 -0.01 0.00 0.00 64.34 64.25 2wh4 n VAL 42 Cb 0.00 -1.52 -0.16 0.00 -0.91 0.00 0.00 33.84 31.25 2wh4 n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2wh4 s ASN 43 N -0.49 3.42 0.03 4.52 -0.87 -1.26 0.30 114.94 120.58 2wh4 s ASN 43 Ca 0.00 -0.47 0.03 0.00 -1.57 0.00 0.00 52.86 50.84 2wh4 s ASN 43 Cb 0.00 -1.46 -0.02 0.00 -0.02 0.00 0.00 41.25 39.75 2wh4 s ASN 43 CO 0.00 0.17 -0.08 -0.63 -2.57 0.00 0.00 177.10 173.98 2wh4 s ILE 44 N 0.32 0.63 0.15 0.60 1.01 -1.15 -4.99 121.20 117.76 2wh4 s ILE 44 Ca -0.16 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.47 2wh4 s ILE 44 Cb -0.17 -0.61 -0.08 0.00 0.01 0.00 0.00 42.46 41.61 2wh4 s ILE 44 CO 0.08 -0.12 0.78 -0.69 0.00 0.00 0.00 174.94 174.98 2wh4 s VAL 45 N -0.83 4.43 0.00 2.92 1.01 -1.26 -4.34 120.40 122.32 2wh4 s VAL 45 Ca -0.03 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2wh4 s VAL 45 Cb -0.07 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2wh4 s VAL 45 CO 0.00 0.50 0.00 0.29 0.00 0.00 0.00 175.10 175.89 2wh4 n LYS 46 N 1.80 0.00 0.17 2.72 5.02 -1.26 -5.06 118.16 121.55 2wh4 n LYS 46 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2wh4 n LYS 46 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 2wh4 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wh4 n LYS 47 N 0.00 0.00 -1.68 1.97 4.01 -1.26 -5.13 118.16 116.08 2wh4 n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2wh4 n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2wh4 n LYS 47 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wh4 n ALA 48 N -3.45 -2.01 0.00 7.82 0.00 -1.26 -4.91 120.51 116.69 2wh4 n ALA 48 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2wh4 n ALA 48 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2wh4 n ALA 48 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wh4 n VAL 49 N -0.34 0.00 0.00 0.00 0.24 -1.26 -4.84 118.33 112.12 2wh4 n VAL 49 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wh4 n VAL 49 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wh4 n VAL 49 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2wh4 n ARG 50 N 0.00 0.00 -0.20 7.34 1.74 -1.26 -1.34 116.66 122.93 2wh4 n ARG 50 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 2wh4 n ARG 50 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 2wh4 n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wh4 n VAL 51 N 0.00 0.60 0.00 1.55 0.31 -1.26 -4.71 118.33 114.82 2wh4 n VAL 51 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2wh4 n VAL 51 Cb 0.00 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2wh4 n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wh4 n SER 52 N 0.18 0.00 -3.93 4.52 3.41 -0.45 -4.96 113.62 112.38 2wh4 n SER 52 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 2wh4 n SER 52 Cb 0.38 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 2wh4 n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wh4 n PRO 53 N 0.00 0.01 -1.74 4.33 -0.02 -0.97 -4.76 135.00 131.84 2wh4 n PRO 53 Ca 0.00 -0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 60.62 2wh4 n PRO 53 Cb 0.00 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 2wh4 n PRO 53 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wh4 n LYS 54 N 5.36 2.64 -0.41 -0.52 4.81 -1.26 -3.97 118.16 124.81 2wh4 n LYS 54 Ca 0.17 0.94 0.06 0.00 -0.87 0.00 0.00 58.31 58.60 2wh4 n LYS 54 Cb 0.36 -2.70 -0.01 0.00 0.02 0.00 0.00 35.03 32.71 2wh4 n LYS 54 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2wh4 n TYR 55 N 1.77 -2.30 -0.31 5.64 4.02 -1.26 -3.57 117.16 121.15 2wh4 n TYR 55 Ca 0.07 0.51 0.20 0.00 -0.01 0.00 0.00 57.90 58.67 2wh4 n TYR 55 Cb 0.37 -0.91 0.38 0.00 -0.02 0.00 0.00 39.34 39.16 2wh4 n TYR 55 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2wh4 n PRO 56 N -1.85 -0.07 0.00 -0.72 -0.02 -1.26 -4.80 135.00 126.28 2wh4 n PRO 56 Ca 0.00 1.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.82 2wh4 n PRO 56 Cb 0.19 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2wh4 n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wh4 n GLN 57 N -5.24 0.00 -0.00 -0.52 6.02 -1.23 -4.96 117.38 111.44 2wh4 n GLN 57 Ca 0.27 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.27 2wh4 n GLN 57 Cb 0.91 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.16 2wh4 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wh4 n GLY 58 N 0.00 0.46 0.00 1.08 0.00 -1.26 -4.23 105.19 101.25 2wh4 n GLY 58 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2wh4 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 59 N 1.62 3.56 0.00 -0.02 0.00 -1.26 -4.92 105.19 104.16 2wh4 n GLY 59 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2wh4 n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wh4 n PHE 60 N 0.47 0.00 -0.23 1.61 3.01 -1.26 -4.48 117.46 116.59 2wh4 n PHE 60 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 2wh4 n PHE 60 Cb 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.53 2wh4 n PHE 60 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2wh4 h ILE 61 N 0.00 1.09 -4.10 4.37 1.08 -1.97 -3.42 117.51 114.57 2wh4 h ILE 61 Ca 0.00 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2wh4 h ILE 61 Cb 0.00 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 2wh4 h ILE 61 CO 0.00 0.15 -0.76 -0.62 -0.69 0.00 0.00 178.15 176.22 2wh4 n GLU 62 N -4.69 -4.03 -0.28 2.37 4.71 -1.26 -4.63 120.64 112.83 2wh4 n GLU 62 Ca 0.06 3.04 -0.03 0.00 -0.01 0.00 0.00 57.16 60.22 2wh4 n GLU 62 Cb 0.07 -3.78 0.03 0.00 -1.01 0.00 0.00 31.44 26.75 2wh4 n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wh4 n LYS 63 N 1.42 0.97 -1.99 3.49 5.02 -1.26 -4.05 118.16 121.75 2wh4 n LYS 63 Ca 0.00 -0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 55.87 2wh4 n LYS 63 Cb 0.00 -0.51 0.02 0.00 -0.02 0.00 0.00 35.03 34.52 2wh4 n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2wh4 s GLU 64 N -1.46 3.30 -0.03 1.97 8.01 -1.26 -2.93 118.70 126.30 2wh4 s GLU 64 Ca 0.06 0.54 0.07 0.00 0.01 0.00 0.00 54.97 55.65 2wh4 s GLU 64 Cb -0.01 -2.11 -0.02 0.00 -4.31 0.00 0.00 34.13 27.69 2wh4 s GLU 64 CO 0.05 -0.69 -0.24 0.00 0.01 0.00 0.00 175.26 174.38 2wh4 s ALA 65 N -3.18 2.05 0.00 5.21 0.00 0.15 -4.90 121.76 121.09 2wh4 s ALA 65 Ca 0.55 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2wh4 s ALA 65 Cb -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.46 2wh4 s ALA 65 CO 0.52 0.47 0.00 -2.30 0.00 0.00 0.00 175.76 174.45 2wh4 n PRO 66 N 2.61 0.00 -1.26 0.00 -0.02 -1.26 -4.76 135.00 130.30 2wh4 n PRO 66 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2wh4 n PRO 66 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2wh4 n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wh4 n LEU 67 N -0.30 -3.85 -4.68 2.45 7.94 -1.26 -1.94 117.00 115.36 2wh4 n LEU 67 Ca 0.00 1.42 -0.46 0.00 -1.11 0.00 0.00 56.01 55.87 2wh4 n LEU 67 Cb 0.00 -1.96 -0.04 0.00 0.53 0.00 0.00 43.42 41.95 2wh4 n LEU 67 CO 0.00 -0.87 1.30 1.57 -1.11 0.00 0.00 177.39 178.29 2wh4 n HIS 68 N 0.84 2.37 0.00 1.96 -0.00 -1.26 -1.36 115.22 117.77 2wh4 n HIS 68 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 2wh4 n HIS 68 Cb 0.00 -2.60 0.00 0.00 -0.00 0.00 0.00 29.99 27.39 2wh4 n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wh4 n ALA 69 N 4.40 1.34 -0.06 1.57 0.00 -0.92 -0.76 120.51 126.09 2wh4 n ALA 69 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.59 2wh4 n ALA 69 Cb 0.30 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 2wh4 n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wh4 n SER 70 N -0.57 0.96 -0.24 0.00 2.88 -1.26 -4.46 113.62 110.93 2wh4 n SER 70 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2wh4 n SER 70 Cb 0.00 1.15 0.06 0.00 -0.75 0.00 0.00 64.21 64.67 2wh4 n SER 70 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wh4 h LYS 71 N 0.00 1.12 -7.14 -1.46 1.79 -1.31 -3.44 116.57 106.13 2wh4 h LYS 71 Ca -0.32 -0.27 -0.49 0.00 -2.18 0.00 0.00 60.65 57.39 2wh4 h LYS 71 Cb 1.68 -0.15 0.03 0.00 -1.58 0.00 0.00 32.23 32.22 2wh4 h LYS 71 CO 0.02 0.99 0.31 0.14 -1.08 0.00 0.00 179.45 179.82 2wh4 s VAL 72 N -5.29 4.67 -0.03 0.50 -7.23 -1.25 -1.29 120.40 110.48 2wh4 s VAL 72 Ca -0.12 0.90 -0.05 0.00 -1.81 0.00 0.00 61.98 60.91 2wh4 s VAL 72 Cb 0.15 -3.78 0.01 0.00 0.56 0.00 0.00 36.38 33.32 2wh4 s VAL 72 CO 0.85 -0.80 0.12 -0.13 -0.31 0.00 0.00 175.10 174.83 2wh4 s ARG 73 N -4.40 0.26 0.41 4.82 0.52 0.28 -4.90 118.95 115.94 2wh4 s ARG 73 Ca 0.55 -0.06 -0.06 0.00 -0.52 0.00 0.00 55.73 55.63 2wh4 s ARG 73 Cb -0.10 0.11 0.10 0.00 0.52 0.00 0.00 34.95 35.58 2wh4 s ARG 73 CO 0.39 -0.05 0.22 -0.35 0.02 0.00 0.00 175.30 175.53 2wh4 n PRO 74 N 2.42 -1.75 0.00 3.54 -0.04 -1.26 0.21 135.00 138.11 2wh4 n PRO 74 Ca -0.17 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 2wh4 n PRO 74 Cb 0.58 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 2wh4 n PRO 74 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2wh4 n ILE 75 N -3.55 0.00 -3.63 0.52 3.06 -1.24 -4.20 119.36 110.32 2wh4 n ILE 75 Ca 0.03 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.23 2wh4 n ILE 75 Cb 0.15 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.27 2wh4 n ILE 75 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wh4 n PRO 77 N 1.30 -0.78 0.00 0.00 -0.02 -1.26 -4.52 135.00 129.72 2wh4 n PRO 77 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2wh4 n PRO 77 Cb 0.57 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2wh4 n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh4 n ALA 78 N -3.68 0.00 -2.52 3.55 0.00 -1.26 -4.87 120.51 111.72 2wh4 n ALA 78 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2wh4 n ALA 78 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2wh4 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n GLY 80 N 5.00 -3.02 1.76 0.00 0.00 -1.26 -3.74 105.19 103.93 2wh4 n GLY 80 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2wh4 n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh4 n LYS 81 N -0.81 -1.68 0.00 1.61 5.02 -1.26 -3.98 118.16 117.05 2wh4 n LYS 81 Ca 0.00 1.19 0.00 0.00 -2.02 0.00 0.00 58.31 57.48 2wh4 n LYS 81 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 2wh4 n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wh4 n PRO 82 N 1.70 0.47 -4.20 1.97 -0.02 -1.26 -4.71 135.00 128.96 2wh4 n PRO 82 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2wh4 n PRO 82 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 2wh4 n PRO 82 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2wh4 s THR 83 N -0.38 0.77 0.26 3.45 -1.32 -1.26 -4.09 115.64 113.08 2wh4 s THR 83 Ca 0.00 -1.97 0.01 0.00 -1.21 0.00 0.00 61.69 58.53 2wh4 s THR 83 Cb 0.00 -1.79 -0.04 0.00 -1.51 0.00 0.00 72.50 69.16 2wh4 s THR 83 CO 0.00 -0.78 0.12 -0.13 -2.21 0.00 0.00 174.62 171.62 2wh4 s ARG 84 N -3.83 1.44 -0.08 7.08 0.52 -0.52 -5.03 118.95 118.54 2wh4 s ARG 84 Ca 0.15 -1.79 0.05 0.00 -0.52 0.00 0.00 55.73 53.61 2wh4 s ARG 84 Cb 0.05 -0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.39 2wh4 s ARG 84 CO -0.02 -0.36 -0.22 0.08 0.02 0.00 0.00 175.30 174.79 2wh4 s VAL 85 N -3.77 2.29 0.26 3.52 1.01 -1.26 -2.41 120.40 120.03 2wh4 s VAL 85 Ca 0.37 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.49 2wh4 s VAL 85 Cb 0.07 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2wh4 s VAL 85 CO 0.15 0.56 -0.09 -0.60 0.00 0.00 0.00 175.10 175.12 2wh4 s ARG 86 N -0.04 2.02 0.01 2.72 3.52 -0.35 -4.88 118.95 121.95 2wh4 s ARG 86 Ca -0.07 -1.54 -0.14 0.00 -0.13 0.00 0.00 55.73 53.85 2wh4 s ARG 86 Cb -0.15 -2.00 -0.08 0.00 -1.56 0.00 0.00 34.95 31.16 2wh4 s ARG 86 CO 0.05 0.36 1.01 1.57 -0.81 0.00 0.00 175.30 177.48 2wh4 h LYS 87 N 2.17 -0.49 0.00 5.12 2.10 -1.86 -2.81 116.57 120.80 2wh4 h LYS 87 Ca -0.43 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2wh4 h LYS 87 Cb 1.25 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2wh4 h LYS 87 CO 0.59 -0.33 0.00 1.63 -2.00 0.00 0.00 179.45 179.34 2wh4 n LYS 88 N -3.64 0.00 -3.10 0.07 4.01 -1.26 -1.68 118.16 112.56 2wh4 n LYS 88 Ca -0.06 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.60 2wh4 n LYS 88 Cb 0.20 -1.38 0.07 0.00 -0.51 0.00 0.00 35.03 33.41 2wh4 n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2wh4 n PHE 89 N -2.00 -1.94 0.00 2.13 7.35 -1.26 -4.36 117.46 117.38 2wh4 n PHE 89 Ca 0.00 0.76 0.00 0.00 -0.76 0.00 0.00 57.45 57.45 2wh4 n PHE 89 Cb 0.00 -4.27 0.00 0.00 0.35 0.00 0.00 39.48 35.56 2wh4 n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2wh4 n LEU 90 N -3.32 0.00 0.00 -2.13 -0.00 -1.26 -5.11 117.00 105.17 2wh4 n LEU 90 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2wh4 n LEU 90 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2wh4 n LEU 90 CO 0.50 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 177.27 2wh4 n GLU 91 N 0.00 3.05 0.00 1.47 -0.58 -1.19 -5.15 120.64 118.24 2wh4 n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wh4 n GLU 91 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wh4 n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2wh4 n ASN 92 N 0.00 0.00 -4.80 1.62 2.85 -0.68 -4.62 115.26 109.64 2wh4 n ASN 92 Ca 0.00 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.19 2wh4 n ASN 92 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 2wh4 n ASN 92 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2wh4 s GLY 93 N 0.00 2.55 -0.36 8.20 0.00 -1.06 -4.94 107.32 111.71 2wh4 s GLY 93 Ca 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 44.72 43.33 2wh4 s GLY 93 CO 0.00 -2.01 0.12 -1.59 0.00 0.00 0.00 173.10 169.62 2wh4 s LYS 94 N -4.01 2.27 0.56 2.90 -2.85 -1.26 -1.22 119.74 116.13 2wh4 s LYS 94 Ca 0.29 -1.51 -0.14 0.00 -1.00 0.00 0.00 55.97 53.60 2wh4 s LYS 94 Cb 0.01 -3.43 -0.06 0.00 -2.06 0.00 0.00 37.83 32.29 2wh4 s LYS 94 CO 0.16 -0.85 1.01 0.15 0.10 0.00 0.00 175.35 175.92 2wh4 s LYS 95 N 1.23 3.75 0.00 1.78 1.02 -1.01 -2.52 119.74 124.00 2wh4 s LYS 95 Ca 0.02 0.89 0.00 0.00 0.02 0.00 0.00 55.97 56.90 2wh4 s LYS 95 Cb -0.21 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 2wh4 s LYS 95 CO -0.02 -0.44 0.00 -0.89 -0.92 0.00 0.00 175.35 173.09 2wh4 n ILE 96 N -2.09 0.00 -3.87 2.17 5.41 -1.25 -1.43 119.36 118.30 2wh4 n ILE 96 Ca 0.06 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.50 2wh4 n ILE 96 Cb 0.54 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.35 2wh4 n ILE 96 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2wh4 s ARG 97 N 1.90 2.25 -0.52 0.38 6.06 -1.26 -4.32 118.95 123.44 2wh4 s ARG 97 Ca 0.00 -2.69 -0.02 0.00 -2.50 0.00 0.00 55.73 50.52 2wh4 s ARG 97 Cb 0.00 -3.47 -0.02 0.00 0.06 0.00 0.00 34.95 31.51 2wh4 s ARG 97 CO 0.00 -1.15 0.45 0.28 -2.50 0.00 0.00 175.30 172.38 2wh4 n VAL 98 N 3.08 -4.23 -1.90 7.11 0.31 -1.26 -5.02 118.33 116.42 2wh4 n VAL 98 Ca 0.08 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2wh4 n VAL 98 Cb 0.34 -4.36 0.00 0.00 -0.91 0.00 0.00 33.84 28.92 2wh4 n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh4 s ALA 100 N -1.00 -1.86 0.08 0.00 0.00 -1.26 -3.91 121.76 113.82 2wh4 s ALA 100 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2wh4 s ALA 100 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2wh4 s ALA 100 CO 0.00 -0.38 0.00 1.17 0.00 0.00 0.00 175.76 176.55 2wh4 n LYS 101 N 0.66 -0.73 0.00 0.00 4.81 -1.05 -4.71 118.16 117.14 2wh4 n LYS 101 Ca -0.13 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 2wh4 n LYS 101 Cb 0.58 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 34.74 2wh4 n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57