#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s GLU 2 N 0.00 0.90 -0.10 2.12 -1.05 -1.26 -4.18 118.70 115.13 2wh4 s GLU 2 Ca 0.00 -0.10 0.01 0.00 -0.15 0.00 0.00 54.97 54.73 2wh4 s GLU 2 Cb 0.00 0.41 0.02 0.00 -0.44 0.00 0.00 34.13 34.12 2wh4 s GLU 2 CO 0.00 -0.29 -0.12 0.00 0.95 0.00 0.00 175.26 175.80 2wh4 s ALA 3 N -1.73 1.48 0.69 -0.84 0.00 0.10 -4.91 121.76 116.55 2wh4 s ALA 3 Ca -0.10 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 2wh4 s ALA 3 Cb -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2wh4 s ALA 3 CO 0.03 -0.15 1.06 0.15 0.00 0.00 0.00 175.76 176.86 2wh4 s LYS 4 N 1.15 2.96 0.00 0.00 1.02 -1.26 -0.15 119.74 123.46 2wh4 s LYS 4 Ca -0.04 0.82 0.00 0.00 0.02 0.00 0.00 55.97 56.77 2wh4 s LYS 4 Cb -0.14 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 2wh4 s LYS 4 CO -0.03 -1.05 0.00 0.00 -0.92 0.00 0.00 175.35 173.36 2wh4 n ALA 5 N -3.08 0.55 -1.62 5.17 0.00 -1.01 -4.62 120.51 115.90 2wh4 n ALA 5 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 2wh4 n ALA 5 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 2wh4 n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wh4 n ILE 6 N 0.00 -5.51 -4.00 0.00 5.41 -1.21 -4.87 119.36 109.18 2wh4 n ILE 6 Ca 0.00 0.82 -0.31 0.00 1.00 0.00 0.00 62.75 64.26 2wh4 n ILE 6 Cb 0.00 -4.14 -0.15 0.00 -0.71 0.00 0.00 39.64 34.64 2wh4 n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wh4 s ALA 7 N -0.18 2.86 0.50 -1.39 0.00 -0.48 -4.96 121.76 118.10 2wh4 s ALA 7 Ca -0.05 -2.55 -0.09 0.00 0.00 0.00 0.00 51.96 49.27 2wh4 s ALA 7 Cb 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 2wh4 s ALA 7 CO 0.13 -1.71 0.86 1.03 0.00 0.00 0.00 175.76 176.06 2wh4 s ARG 8 N 0.85 3.65 -1.30 0.00 0.52 -1.26 -1.71 118.95 119.69 2wh4 s ARG 8 Ca 0.11 0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 55.78 2wh4 s ARG 8 Cb -0.19 -2.29 0.01 0.00 0.52 0.00 0.00 34.95 33.00 2wh4 s ARG 8 CO -0.08 -0.26 0.84 0.66 0.02 0.00 0.00 175.30 176.48 2wh4 n TYR 9 N -2.07 -2.09 -3.02 -0.53 0.53 -1.01 -4.95 117.16 104.03 2wh4 n TYR 9 Ca 0.03 0.89 -0.43 0.00 -1.02 0.00 0.00 57.90 57.37 2wh4 n TYR 9 Cb 0.54 -4.60 -0.06 0.00 -1.03 0.00 0.00 39.34 34.20 2wh4 n TYR 9 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 2wh4 s VAL 10 N -3.53 4.70 -0.82 -0.72 1.01 0.17 -4.84 120.40 116.37 2wh4 s VAL 10 Ca 0.10 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 62.07 2wh4 s VAL 10 Cb -0.05 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.87 2wh4 s VAL 10 CO 0.79 -0.72 2.37 -1.14 0.00 0.00 0.00 175.10 176.39 2wh4 n ARG 11 N 6.59 0.48 0.00 2.72 0.00 -1.26 -1.25 116.66 123.94 2wh4 n ARG 11 Ca 0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 57.85 57.02 2wh4 n ARG 11 Cb 0.48 -3.46 0.00 0.00 0.00 0.00 0.00 32.46 29.47 2wh4 n ARG 11 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2wh4 n ILE 12 N 8.51 0.00 -1.85 5.15 3.06 -1.05 -4.98 119.36 128.19 2wh4 n ILE 12 Ca 0.48 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 60.32 2wh4 n ILE 12 Cb 0.41 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.58 2wh4 n ILE 12 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2wh4 s SER 13 N 0.00 6.42 0.09 9.51 0.15 -1.24 -2.84 113.70 125.79 2wh4 s SER 13 Ca 0.00 2.98 -0.31 0.00 0.70 0.00 0.00 55.95 59.32 2wh4 s SER 13 Cb 0.00 -2.66 -0.15 0.00 -1.71 0.00 0.00 66.02 61.50 2wh4 s SER 13 CO 0.00 -0.82 1.62 -0.65 1.20 0.00 0.00 173.24 174.59 2wh4 h PRO 14 N 3.18 -0.73 -1.29 5.44 0.11 -1.89 -2.52 132.00 134.31 2wh4 h PRO 14 Ca -0.50 0.05 0.40 0.00 0.11 0.00 0.00 66.00 66.06 2wh4 h PRO 14 Cb 1.24 0.17 -0.12 0.00 0.11 0.00 0.00 31.00 32.40 2wh4 h PRO 14 CO 0.65 -0.49 0.84 0.00 -0.21 0.00 0.00 178.00 178.79 2wh4 h ARG 15 N -0.76 0.13 0.25 1.05 3.08 -1.97 0.50 114.38 116.67 2wh4 h ARG 15 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2wh4 h ARG 15 Cb 0.65 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wh4 h ARG 15 CO -0.01 0.09 -0.12 0.87 -1.07 0.00 0.00 179.97 179.73 2wh4 h LYS 16 N 0.14 -0.33 0.06 0.04 1.79 -1.83 -3.19 116.57 113.24 2wh4 h LYS 16 Ca 0.77 0.02 -0.25 0.00 -2.18 0.00 0.00 60.65 59.02 2wh4 h LYS 16 Cb 2.40 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 33.13 2wh4 h LYS 16 CO -0.36 -0.10 -1.07 -0.39 -1.08 0.00 0.00 179.45 176.45 2wh4 h VAL 17 N -0.51 1.44 -1.06 0.50 -1.51 -0.71 -3.13 116.25 111.26 2wh4 h VAL 17 Ca -0.03 -2.71 0.33 0.00 -1.23 0.00 0.00 66.70 63.05 2wh4 h VAL 17 Cb 0.38 2.64 -0.13 0.00 -2.13 0.00 0.00 31.29 32.05 2wh4 h VAL 17 CO 0.06 0.80 0.64 0.03 -1.23 0.00 0.00 177.57 177.86 2wh4 h ARG 18 N 0.16 0.31 -0.40 5.19 3.08 -0.22 0.95 114.38 123.45 2wh4 h ARG 18 Ca -0.10 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.99 2wh4 h ARG 18 Cb 1.74 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.70 2wh4 h ARG 18 CO 0.18 0.20 0.27 -0.07 -1.07 0.00 0.00 179.97 179.48 2wh4 h LEU 19 N 0.31 0.26 0.00 3.04 4.07 -1.53 -1.25 115.31 120.21 2wh4 h LEU 19 Ca 0.72 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.61 2wh4 h LEU 19 Cb 1.77 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.44 2wh4 h LEU 19 CO -0.51 0.17 -0.42 0.58 -1.08 0.00 0.00 178.44 177.18 2wh4 h VAL 20 N 0.29 1.26 -0.62 1.22 2.07 0.73 -3.30 116.25 117.92 2wh4 h VAL 20 Ca 0.17 -2.10 0.12 0.00 0.82 0.00 0.00 66.70 65.72 2wh4 h VAL 20 Cb 0.32 2.54 -0.12 0.00 -1.52 0.00 0.00 31.29 32.51 2wh4 h VAL 20 CO -0.04 0.43 -0.21 0.58 0.02 0.00 0.00 177.57 178.35 2wh4 h VAL 21 N -1.00 0.31 -1.04 2.57 2.07 -1.01 0.84 116.25 118.98 2wh4 h VAL 21 Ca -0.11 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.69 2wh4 h VAL 21 Cb 0.97 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 2wh4 h VAL 21 CO -0.07 0.00 0.71 0.44 0.02 0.00 0.00 177.57 178.67 2wh4 h ASP 22 N -0.05 0.25 0.30 0.57 3.45 -1.37 0.21 116.42 119.78 2wh4 h ASP 22 Ca 0.29 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.79 2wh4 h ASP 22 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2wh4 h ASP 22 CO -0.66 0.06 0.00 -0.11 -1.57 0.00 0.00 179.24 176.95 2wh4 n LEU 23 N -4.44 0.00 0.00 1.55 7.94 0.29 -3.48 117.00 118.86 2wh4 n LEU 23 Ca 0.24 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 2wh4 n LEU 23 Cb 0.98 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 44.63 2wh4 n LEU 23 CO 0.32 -0.15 0.02 2.30 -1.11 0.00 0.00 177.39 178.77 2wh4 n ILE 24 N -1.30 0.00 -1.66 1.96 -5.35 0.69 -4.98 119.36 108.72 2wh4 n ILE 24 Ca 0.07 -0.18 -0.53 0.00 -0.27 0.00 0.00 62.75 61.84 2wh4 n ILE 24 Cb 0.13 1.13 -0.06 0.00 -1.74 0.00 0.00 39.64 39.10 2wh4 n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2wh4 n ARG 25 N -0.29 1.40 -3.21 6.28 0.63 -0.92 -2.77 116.66 117.77 2wh4 n ARG 25 Ca 0.00 0.51 -0.15 0.00 -0.92 0.00 0.00 57.85 57.29 2wh4 n ARG 25 Cb 0.03 -2.21 0.07 0.00 0.45 0.00 0.00 32.46 30.81 2wh4 n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wh4 n GLY 26 N 3.48 -0.99 2.98 5.14 0.00 -0.11 -5.01 105.19 110.68 2wh4 n GLY 26 Ca 0.22 0.49 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 2wh4 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 s LYS 27 N -4.47 0.12 0.02 1.61 1.02 -1.12 -4.87 119.74 112.05 2wh4 s LYS 27 Ca 0.38 0.16 -0.36 0.00 0.02 0.00 0.00 55.97 56.18 2wh4 s LYS 27 Cb -0.05 0.04 -0.18 0.00 -0.52 0.00 0.00 37.83 37.12 2wh4 s LYS 27 CO 0.71 -0.03 0.93 -1.13 -0.92 0.00 0.00 175.35 174.92 2wh4 n SER 28 N 3.11 -0.14 -0.31 2.83 3.41 -1.26 -2.24 113.62 119.02 2wh4 n SER 28 Ca -0.13 1.07 0.04 0.00 -0.26 0.00 0.00 58.87 59.59 2wh4 n SER 28 Cb 0.59 -0.85 0.12 0.00 -0.26 0.00 0.00 64.21 63.80 2wh4 n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2wh4 h LEU 29 N 2.57 -0.81 -0.14 1.04 5.85 -1.66 0.17 115.31 122.34 2wh4 h LEU 29 Ca -0.45 0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2wh4 h LEU 29 Cb 1.32 0.55 -0.05 0.00 0.37 0.00 0.00 40.66 42.85 2wh4 h LEU 29 CO 0.59 -0.29 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.17 2wh4 h GLU 30 N 0.00 -0.17 -0.25 1.25 4.81 -1.86 -2.10 114.58 116.26 2wh4 h GLU 30 Ca 0.42 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.69 2wh4 h GLU 30 Cb 0.65 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 2wh4 h GLU 30 CO -0.91 -0.12 -0.30 1.49 -0.73 0.00 0.00 179.01 178.45 2wh4 h GLU 31 N -0.18 -0.18 -0.90 1.92 4.57 -1.30 -0.72 114.58 117.79 2wh4 h GLU 31 Ca 0.10 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.45 2wh4 h GLU 31 Cb 0.32 0.04 -0.16 0.00 -0.16 0.00 0.00 28.75 28.79 2wh4 h GLU 31 CO -0.24 -0.12 -0.30 0.00 -1.18 0.00 0.00 179.01 177.17 2wh4 h ALA 32 N -0.60 0.37 -0.99 2.92 0.00 -1.17 0.76 119.26 120.55 2wh4 h ALA 32 Ca 0.04 0.30 0.12 0.00 0.00 0.00 0.00 54.91 55.38 2wh4 h ALA 32 Cb 0.31 0.81 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 2wh4 h ALA 32 CO -0.33 -0.51 0.63 0.00 0.00 0.00 0.00 179.25 179.04 2wh4 h ARG 33 N -0.02 0.95 0.36 0.00 3.08 -0.50 0.27 114.38 118.52 2wh4 h ARG 33 Ca 0.38 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 2wh4 h ARG 33 Cb 0.63 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2wh4 h ARG 33 CO -0.92 0.63 -0.17 -0.91 -1.07 0.00 0.00 179.97 177.52 2wh4 h ASN 34 N 0.97 -0.41 -0.05 7.04 -0.26 0.17 -1.55 115.58 121.49 2wh4 h ASN 34 Ca 0.49 -0.14 0.02 0.00 -0.56 0.00 0.00 56.30 56.10 2wh4 h ASN 34 Cb 0.50 0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.83 2wh4 h ASN 34 CO -0.26 -0.05 -0.32 0.40 -1.06 0.00 0.00 177.43 176.15 2wh4 h ILE 35 N -0.82 0.00 -0.39 2.81 2.04 0.20 -2.09 117.51 119.26 2wh4 h ILE 35 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 2wh4 h ILE 35 Cb 0.53 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.53 2wh4 h ILE 35 CO 0.08 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 178.00 2wh4 h LEU 36 N -0.36 -0.55 -0.89 1.44 3.38 -0.60 -1.34 115.31 116.39 2wh4 h LEU 36 Ca 0.01 0.14 0.24 0.00 0.09 0.00 0.00 57.88 58.37 2wh4 h LEU 36 Cb 0.40 0.32 -0.17 0.00 0.09 0.00 0.00 40.66 41.30 2wh4 h LEU 36 CO -0.24 -0.19 0.02 -1.14 0.09 0.00 0.00 178.44 176.97 2wh4 n ARG 37 N -5.35 -0.07 -0.49 1.13 3.00 -0.58 -1.16 116.66 113.14 2wh4 n ARG 37 Ca 0.02 1.33 0.06 0.00 -0.00 0.00 0.00 57.85 59.26 2wh4 n ARG 37 Cb 0.26 -2.11 0.23 0.00 0.00 0.00 0.00 32.46 30.84 2wh4 n ARG 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2wh4 n TYR 38 N -5.30 0.90 -3.24 -0.14 4.01 -0.60 -4.99 117.16 107.80 2wh4 n TYR 38 Ca 0.21 -1.05 -0.39 0.00 -0.16 0.00 0.00 57.90 56.51 2wh4 n TYR 38 Cb 0.68 -0.34 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 2wh4 n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wh4 s THR 39 N -2.93 4.99 -1.25 -0.72 2.01 -0.31 -5.00 115.64 112.43 2wh4 s THR 39 Ca 0.42 1.17 -0.08 0.00 0.31 0.00 0.00 61.69 63.51 2wh4 s THR 39 Cb 0.35 -3.90 0.19 0.00 0.01 0.00 0.00 72.50 69.15 2wh4 s THR 39 CO 0.06 0.40 1.86 -3.20 -0.69 0.00 0.00 174.62 173.05 2wh4 n ASN 40 N 2.96 5.56 -3.72 3.53 5.15 -1.26 -4.83 115.26 122.65 2wh4 n ASN 40 Ca -0.07 -3.17 -0.13 0.00 -0.60 0.00 0.00 54.58 50.61 2wh4 n ASN 40 Cb 0.51 -1.43 -0.09 0.00 -0.53 0.00 0.00 39.78 38.24 2wh4 n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wh4 s LYS 41 N -0.30 0.55 0.47 1.20 -0.14 -1.26 -5.02 119.74 115.23 2wh4 s LYS 41 Ca 0.39 0.58 0.24 0.00 -1.36 0.00 0.00 55.97 55.82 2wh4 s LYS 41 Cb 0.10 0.26 1.26 0.00 -1.68 0.00 0.00 37.83 37.77 2wh4 s LYS 41 CO 0.01 -0.07 1.85 -0.09 -0.76 0.00 0.00 175.35 176.29 2wh4 h ARG 42 N 5.30 0.23 -0.52 1.68 2.43 -1.97 -1.17 114.38 120.36 2wh4 h ARG 42 Ca -0.27 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2wh4 h ARG 42 Cb 1.18 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2wh4 h ARG 42 CO 0.23 0.15 0.27 0.78 -1.51 0.00 0.00 179.97 179.89 2wh4 h GLY 43 N 0.23 0.76 -0.22 2.80 0.00 -1.95 -3.13 103.07 101.56 2wh4 h GLY 43 Ca 0.48 -0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.56 2wh4 h GLY 43 CO -0.12 0.32 -0.32 0.00 0.00 0.00 0.00 176.54 176.42 2wh4 h ALA 44 N 1.58 -0.13 -0.60 3.60 0.00 -1.53 -1.81 119.26 120.38 2wh4 h ALA 44 Ca 0.18 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.33 2wh4 h ALA 44 Cb 0.04 0.71 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 2wh4 h ALA 44 CO -0.03 -0.70 -0.23 -0.92 0.00 0.00 0.00 179.25 177.36 2wh4 h TYR 45 N -0.22 -0.59 -0.05 0.00 3.20 -1.71 0.47 116.97 118.07 2wh4 h TYR 45 Ca 0.19 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 2wh4 h TYR 45 Cb 0.54 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 2wh4 h TYR 45 CO -0.56 -0.32 0.02 0.74 -1.64 0.00 0.00 178.16 176.40 2wh4 h PHE 46 N -0.08 0.08 -0.29 -3.82 0.04 -1.55 -2.20 116.94 109.12 2wh4 h PHE 46 Ca 0.27 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.06 2wh4 h PHE 46 Cb 0.51 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 2wh4 h PHE 46 CO -0.56 0.21 0.12 0.28 -0.60 0.00 0.00 178.31 177.76 2wh4 h VAL 47 N -0.08 0.95 -0.44 -0.55 2.07 -0.70 -2.63 116.25 114.87 2wh4 h VAL 47 Ca 0.02 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2wh4 h VAL 47 Cb 0.17 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 2wh4 h VAL 47 CO -0.00 0.05 -0.40 0.00 0.02 0.00 0.00 177.57 177.24 2wh4 h ALA 48 N 1.17 -0.33 -0.89 1.67 0.00 0.07 0.12 119.26 121.07 2wh4 h ALA 48 Ca 0.13 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.25 2wh4 h ALA 48 Cb 0.08 0.85 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 2wh4 h ALA 48 CO -0.12 -0.81 -0.44 0.87 0.00 0.00 0.00 179.25 178.75 2wh4 h LYS 49 N -0.29 -0.06 -0.23 0.00 1.79 -1.02 -0.31 116.57 116.46 2wh4 h LYS 49 Ca 0.16 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.44 2wh4 h LYS 49 Cb 0.57 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2wh4 h LYS 49 CO -0.59 -0.04 -0.61 -0.24 -1.08 0.00 0.00 179.45 176.89 2wh4 h VAL 50 N -0.06 1.29 -0.13 0.50 3.04 -1.26 -1.20 116.25 118.43 2wh4 h VAL 50 Ca 0.26 -1.82 0.04 0.00 -1.01 0.00 0.00 66.70 64.17 2wh4 h VAL 50 Cb 0.54 1.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 2wh4 h VAL 50 CO -0.90 0.58 0.10 0.25 -1.01 0.00 0.00 177.57 176.60 2wh4 h LEU 51 N 0.58 0.00 0.04 3.16 7.12 0.11 0.39 115.31 126.71 2wh4 h LEU 51 Ca -0.01 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.95 2wh4 h LEU 51 Cb 1.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 2wh4 h LEU 51 CO 0.13 0.00 -0.25 -0.08 -0.13 0.00 0.00 178.44 178.11 2wh4 h GLU 52 N 0.00 0.07 -0.71 1.25 4.57 -0.82 -2.98 114.58 115.96 2wh4 h GLU 52 Ca 0.06 -0.13 0.13 0.00 -1.18 0.00 0.00 59.36 58.24 2wh4 h GLU 52 Cb 0.27 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 2wh4 h GLU 52 CO -0.00 1.06 0.48 1.03 -1.18 0.00 0.00 179.01 180.40 2wh4 h SER 53 N -0.84 0.42 0.46 1.04 0.87 -0.49 0.49 113.55 115.50 2wh4 h SER 53 Ca -0.05 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2wh4 h SER 53 Cb 1.17 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2wh4 h SER 53 CO 0.03 0.23 -0.30 0.00 -0.53 0.00 0.00 176.83 176.26 2wh4 h ALA 54 N 1.65 -1.11 -0.50 6.23 0.00 -0.29 -0.32 119.26 124.92 2wh4 h ALA 54 Ca 0.34 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.18 2wh4 h ALA 54 Cb 0.70 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 2wh4 h ALA 54 CO -0.11 -1.09 -0.45 0.00 0.00 0.00 0.00 179.25 177.60 2wh4 h ALA 55 N -1.43 -0.41 -0.34 0.00 0.00 -1.10 0.73 119.26 116.70 2wh4 h ALA 55 Ca -0.06 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2wh4 h ALA 55 Cb 0.58 0.96 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 2wh4 h ALA 55 CO 0.05 -0.87 -0.36 0.00 0.00 0.00 0.00 179.25 178.08 2wh4 h ALA 56 N 0.48 -0.55 -0.88 0.00 0.00 -0.82 0.32 119.26 117.80 2wh4 h ALA 56 Ca 0.15 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.21 2wh4 h ALA 56 Cb 0.57 1.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 2wh4 h ALA 56 CO -0.64 -0.74 0.50 -0.91 0.00 0.00 0.00 179.25 177.46 2wh4 h ASN 57 N -0.19 0.67 -0.14 0.00 -0.26 -0.12 0.23 115.58 115.76 2wh4 h ASN 57 Ca 0.06 0.07 0.05 0.00 -0.56 0.00 0.00 56.30 55.92 2wh4 h ASN 57 Cb 0.35 -0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 37.50 2wh4 h ASN 57 CO -0.43 0.33 -0.25 0.00 -1.06 0.00 0.00 177.43 176.03 2wh4 h ALA 58 N 1.53 -0.22 0.00 -0.83 0.00 0.39 -0.89 119.26 119.25 2wh4 h ALA 58 Ca 0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2wh4 h ALA 58 Cb 0.55 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2wh4 h ALA 58 CO -0.31 -0.70 -0.70 -0.24 0.00 0.00 0.00 179.25 177.30 2wh4 h VAL 59 N -0.30 0.00 0.01 0.00 3.04 -0.25 -2.79 116.25 115.96 2wh4 h VAL 59 Ca 0.10 -0.56 -0.33 0.00 -1.01 0.00 0.00 66.70 64.91 2wh4 h VAL 59 Cb 0.46 1.11 -0.05 0.00 -2.01 0.00 0.00 31.29 30.79 2wh4 h VAL 59 CO -0.32 0.00 -1.97 0.59 -1.01 0.00 0.00 177.57 174.86 2wh4 n ASN 60 N -2.18 0.73 -0.43 3.17 4.13 0.02 -2.93 115.26 117.78 2wh4 n ASN 60 Ca 0.03 0.25 0.05 0.00 1.68 0.00 0.00 54.58 56.59 2wh4 n ASN 60 Cb 0.45 0.20 0.05 0.00 -1.54 0.00 0.00 39.78 38.95 2wh4 n ASN 60 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2wh4 n ASN 61 N -2.99 1.96 -0.02 6.41 5.03 -0.35 -4.53 115.26 120.76 2wh4 n ASN 61 Ca -0.24 -1.49 0.00 0.00 0.87 0.00 0.00 54.58 53.72 2wh4 n ASN 61 Cb 1.08 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.82 2wh4 n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wh4 n HIS 62 N 0.56 0.00 -3.43 3.10 8.25 -1.19 -5.04 115.22 117.48 2wh4 n HIS 62 Ca 0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 2wh4 n HIS 62 Cb 0.27 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2wh4 n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wh4 n ASP 63 N 0.00 -1.30 -0.27 0.41 5.75 -1.15 -4.76 116.55 115.24 2wh4 n ASP 63 Ca 0.00 -0.35 0.14 0.00 -0.01 0.00 0.00 54.79 54.57 2wh4 n ASP 63 Cb 0.51 -0.47 0.67 0.00 -1.03 0.00 0.00 41.12 40.80 2wh4 n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wh4 n MET 64 N -1.72 1.37 -2.07 0.11 2.81 -1.06 -4.97 117.12 111.59 2wh4 n MET 64 Ca -0.06 -0.54 -0.03 0.00 -1.81 0.00 0.00 57.70 55.26 2wh4 n MET 64 Cb 0.18 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.21 2wh4 n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2wh4 n LEU 65 N -0.32 -4.55 -0.26 4.03 0.00 -1.26 -4.64 117.00 109.99 2wh4 n LEU 65 Ca 0.20 1.48 -0.07 0.00 0.00 0.00 0.00 56.01 57.62 2wh4 n LEU 65 Cb 0.24 -2.37 -0.06 0.00 0.00 0.00 0.00 43.42 41.23 2wh4 n LEU 65 CO 0.16 -2.27 0.49 -0.08 0.00 0.00 0.00 177.39 175.69 2wh4 h GLU 66 N 2.48 -0.01 0.00 1.96 4.81 -1.94 -2.24 114.58 119.65 2wh4 h GLU 66 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2wh4 h GLU 66 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2wh4 h GLU 66 CO 0.00 -0.01 0.17 -0.25 -0.73 0.00 0.00 179.01 178.19 2wh4 n ASP 67 N -4.41 0.00 -0.44 1.04 8.00 -1.26 -0.96 116.55 118.52 2wh4 n ASP 67 Ca 0.01 0.11 0.07 0.00 0.71 0.00 0.00 54.79 55.69 2wh4 n ASP 67 Cb 0.16 -0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2wh4 n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wh4 n ARG 68 N -0.97 1.48 -1.87 -1.24 5.12 -0.84 -4.96 116.66 113.39 2wh4 n ARG 68 Ca 0.00 -1.03 -0.33 0.00 -1.93 0.00 0.00 57.85 54.56 2wh4 n ARG 68 Cb 0.17 -1.24 0.04 0.00 -1.16 0.00 0.00 32.46 30.26 2wh4 n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wh4 s LEU 69 N -1.60 3.46 -0.17 0.55 1.43 -0.13 0.16 118.68 122.38 2wh4 s LEU 69 Ca 0.14 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.97 2wh4 s LEU 69 Cb 0.12 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.90 2wh4 s LEU 69 CO 0.28 -1.53 0.95 -0.72 0.23 0.00 0.00 176.35 175.57 2wh4 s TYR 70 N -2.24 -0.43 -0.74 0.29 -0.00 -0.66 -1.72 117.35 111.85 2wh4 s TYR 70 Ca 0.68 0.81 -0.26 0.00 -0.00 0.00 0.00 57.07 58.30 2wh4 s TYR 70 Cb -0.21 0.43 -0.07 0.00 -0.00 0.00 0.00 41.96 42.11 2wh4 s TYR 70 CO 0.38 -0.36 2.13 0.08 -0.00 0.00 0.00 175.55 177.78 2wh4 s VAL 71 N -0.88 3.24 0.10 -3.49 1.01 -0.95 -1.74 120.40 117.69 2wh4 s VAL 71 Ca -0.02 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 2wh4 s VAL 71 Cb -0.01 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 2wh4 s VAL 71 CO 0.02 -0.54 1.46 0.50 0.00 0.00 0.00 175.10 176.53 2wh4 h LYS 72 N 13.85 -0.42 -3.30 2.72 1.63 -1.69 -0.25 116.57 129.11 2wh4 h LYS 72 Ca -0.06 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2wh4 h LYS 72 Cb 1.08 0.10 -0.11 0.00 -0.60 0.00 0.00 32.23 32.70 2wh4 h LYS 72 CO 1.15 -0.28 0.02 0.00 -3.45 0.00 0.00 179.45 176.89 2wh4 s ALA 73 N -5.34 -0.97 0.22 5.00 0.00 -1.06 -4.46 121.76 115.14 2wh4 s ALA 73 Ca -0.13 -0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 2wh4 s ALA 73 Cb 0.06 0.83 0.04 0.00 0.00 0.00 0.00 23.12 24.05 2wh4 s ALA 73 CO 0.51 -0.77 0.82 0.00 0.00 0.00 0.00 175.76 176.32 2wh4 s ALA 74 N -3.85 -1.43 0.00 0.00 0.00 -1.26 -1.92 121.76 113.30 2wh4 s ALA 74 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2wh4 s ALA 74 Cb -0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2wh4 s ALA 74 CO -0.05 -1.03 0.00 2.48 0.00 0.00 0.00 175.76 177.16 2wh4 n TYR 75 N -0.46 0.00 -3.79 0.00 0.18 -0.79 -5.02 117.16 107.28 2wh4 n TYR 75 Ca -0.05 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.59 2wh4 n TYR 75 Cb 0.60 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.41 2wh4 n TYR 75 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wh4 s VAL 76 N -2.00 -0.04 0.26 -3.48 0.11 -1.26 -1.65 120.40 112.33 2wh4 s VAL 76 Ca 0.00 0.16 0.08 0.00 -2.93 0.00 0.00 61.98 59.28 2wh4 s VAL 76 Cb 0.00 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.70 2wh4 s VAL 76 CO 0.00 0.06 0.16 -1.81 -3.33 0.00 0.00 175.10 170.18 2wh4 s ASP 77 N 0.85 5.31 0.18 3.54 1.01 -0.63 -4.93 116.67 122.00 2wh4 s ASP 77 Ca -0.07 -0.34 -0.29 0.00 0.71 0.00 0.00 52.55 52.56 2wh4 s ASP 77 Cb -0.10 -1.27 -0.08 0.00 1.01 0.00 0.00 42.92 42.48 2wh4 s ASP 77 CO -0.03 -0.04 0.92 -0.70 0.21 0.00 0.00 175.17 175.53 2wh4 s GLU 78 N -3.81 4.76 0.26 8.23 2.56 -1.26 -1.47 118.70 127.96 2wh4 s GLU 78 Ca 0.33 1.42 0.08 0.00 0.00 0.00 0.00 54.97 56.80 2wh4 s GLU 78 Cb -0.07 -3.31 -0.04 0.00 2.00 0.00 0.00 34.13 32.70 2wh4 s GLU 78 CO 0.24 0.42 0.11 0.20 -0.56 0.00 0.00 175.26 175.66 2wh4 s GLY 79 N -0.76 1.52 -0.42 -1.50 0.00 0.16 -4.85 107.32 101.47 2wh4 s GLY 79 Ca 0.42 -1.52 -0.32 0.00 0.00 0.00 0.00 44.72 43.30 2wh4 s GLY 79 CO 0.30 -1.58 2.29 -1.55 0.00 0.00 0.00 173.10 172.57 2wh4 n PRO 80 N -1.05 1.08 -1.32 2.90 -0.04 -1.26 -3.99 135.00 131.33 2wh4 n PRO 80 Ca -0.07 0.24 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 2wh4 n PRO 80 Cb 0.58 -2.66 0.10 0.00 -0.04 0.00 0.00 33.50 31.49 2wh4 n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wh4 s ALA 81 N 8.55 2.07 -0.33 0.55 0.00 -1.26 -4.64 121.76 126.70 2wh4 s ALA 81 Ca 1.09 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 53.58 2wh4 s ALA 81 Cb -0.70 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 18.99 2wh4 s ALA 81 CO 0.43 -1.93 0.31 -0.51 0.00 0.00 0.00 175.76 174.06 2wh4 s LEU 82 N -5.50 4.39 -0.34 0.00 1.02 0.69 -4.93 118.68 114.01 2wh4 s LEU 82 Ca 0.70 -0.22 -0.22 0.00 0.02 0.00 0.00 54.13 54.40 2wh4 s LEU 82 Cb -0.24 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.70 2wh4 s LEU 82 CO 0.49 -0.26 0.72 -0.54 0.02 0.00 0.00 176.35 176.78 2wh4 s LYS 83 N 1.91 3.80 0.20 1.70 1.02 -1.26 0.38 119.74 127.50 2wh4 s LYS 83 Ca 0.10 0.31 0.10 0.00 0.02 0.00 0.00 55.97 56.49 2wh4 s LYS 83 Cb -0.17 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 2wh4 s LYS 83 CO 0.11 -0.74 -0.12 1.03 -0.92 0.00 0.00 175.35 174.71 2wh4 s ARG 84 N 2.90 1.95 0.25 1.68 1.81 -0.00 -4.96 118.95 122.57 2wh4 s ARG 84 Ca 0.29 -1.39 -0.07 0.00 -1.72 0.00 0.00 55.73 52.84 2wh4 s ARG 84 Cb -0.14 -2.06 -0.06 0.00 -0.45 0.00 0.00 34.95 32.24 2wh4 s ARG 84 CO 0.15 0.41 0.54 0.08 -0.68 0.00 0.00 175.30 175.79 2wh4 s VAL 85 N -1.86 4.99 -0.25 3.52 1.01 -1.26 0.67 120.40 127.23 2wh4 s VAL 85 Ca 0.25 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 2wh4 s VAL 85 Cb -0.08 -3.67 0.12 0.00 0.00 0.00 0.00 36.38 32.76 2wh4 s VAL 85 CO 0.15 -0.17 0.32 -0.22 0.00 0.00 0.00 175.10 175.17 2wh4 s LEU 86 N -3.12 -0.41 0.12 3.92 2.96 0.37 -4.77 118.68 117.76 2wh4 s LEU 86 Ca 0.45 -0.17 -0.31 0.00 -0.22 0.00 0.00 54.13 53.88 2wh4 s LEU 86 Cb -0.11 0.77 -0.08 0.00 0.50 0.00 0.00 46.19 47.27 2wh4 s LEU 86 CO 0.25 -0.33 1.41 -2.16 -1.32 0.00 0.00 176.35 174.20 2wh4 s PRO 87 N 2.44 4.31 0.45 0.98 0.04 -1.26 -1.25 135.00 140.70 2wh4 s PRO 87 Ca 0.10 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.31 2wh4 s PRO 87 Cb -0.15 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2wh4 s PRO 87 CO -0.20 -0.46 0.18 1.03 0.04 0.00 0.00 177.00 177.59 2wh4 s ARG 88 N 1.13 2.21 0.71 4.56 1.81 -1.26 -4.79 118.95 123.32 2wh4 s ARG 88 Ca 0.65 -1.97 -0.16 0.00 -1.72 0.00 0.00 55.73 52.53 2wh4 s ARG 88 Cb -0.38 -1.91 -0.02 0.00 -0.45 0.00 0.00 34.95 32.19 2wh4 s ARG 88 CO 0.30 -0.22 0.70 0.00 -0.68 0.00 0.00 175.30 175.40 2wh4 n ALA 89 N -1.30 -0.98 -2.27 2.13 0.00 -1.26 -2.02 120.51 114.81 2wh4 n ALA 89 Ca -0.04 -0.21 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 2wh4 n ALA 89 Cb 0.65 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 2wh4 n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wh4 n ARG 90 N -1.13 -1.76 -3.78 0.00 1.74 -1.26 -2.61 116.66 107.85 2wh4 n ARG 90 Ca 0.11 0.94 -0.26 0.00 -0.77 0.00 0.00 57.85 57.87 2wh4 n ARG 90 Cb 0.50 -5.54 0.04 0.00 -1.02 0.00 0.00 32.46 26.43 2wh4 n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh4 n GLY 91 N -0.86 -0.42 0.08 -0.13 0.00 -0.86 -4.94 105.19 98.06 2wh4 n GLY 91 Ca -0.22 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2wh4 n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wh4 h ARG 92 N -2.07 -0.04 -4.72 1.61 2.43 -1.24 -3.47 114.38 106.88 2wh4 h ARG 92 Ca -0.59 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.59 2wh4 h ARG 92 Cb 1.37 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.85 2wh4 h ARG 92 CO 0.61 0.65 -1.16 0.00 -1.51 0.00 0.00 179.97 178.57 2wh4 n ALA 93 N -2.59 -3.55 -2.87 2.80 0.00 -1.26 -4.83 120.51 108.21 2wh4 n ALA 93 Ca -0.08 1.45 -0.22 0.00 0.00 0.00 0.00 53.44 54.59 2wh4 n ALA 93 Cb 0.34 -2.84 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 2wh4 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wh4 s ASP 94 N -0.87 5.81 -0.19 0.00 -0.00 -0.38 -4.88 116.67 116.16 2wh4 s ASP 94 Ca -0.15 -0.12 -0.05 0.00 -0.00 0.00 0.00 52.55 52.23 2wh4 s ASP 94 Cb 0.01 -1.58 -0.03 0.00 -0.00 0.00 0.00 42.92 41.33 2wh4 s ASP 94 CO 0.67 -0.03 0.00 0.27 -0.00 0.00 0.00 175.17 176.08 2wh4 s ILE 95 N -2.03 4.08 0.47 0.77 -4.36 -1.26 -0.48 121.20 118.38 2wh4 s ILE 95 Ca 0.33 -0.28 -0.06 0.00 -0.26 0.00 0.00 60.65 60.38 2wh4 s ILE 95 Cb -0.09 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 2wh4 s ILE 95 CO 0.26 0.44 0.79 -0.51 0.24 0.00 0.00 174.94 176.16 2wh4 s ILE 96 N 0.79 4.88 -0.33 8.37 1.10 0.21 -4.87 121.20 131.36 2wh4 s ILE 96 Ca 0.01 0.31 0.03 0.00 -0.51 0.00 0.00 60.65 60.48 2wh4 s ILE 96 Cb -0.14 -3.84 0.10 0.00 0.15 0.00 0.00 42.46 38.73 2wh4 s ILE 96 CO 0.02 -0.78 0.05 -0.54 -2.11 0.00 0.00 174.94 171.58 2wh4 s LYS 97 N -4.55 1.34 -0.94 3.50 1.02 -1.26 -0.82 119.74 118.02 2wh4 s LYS 97 Ca 0.48 -1.66 -0.24 0.00 0.02 0.00 0.00 55.97 54.57 2wh4 s LYS 97 Cb -0.10 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.28 2wh4 s LYS 97 CO 0.42 -0.93 1.76 0.15 -0.92 0.00 0.00 175.35 175.84 2wh4 s LYS 98 N 1.08 2.93 0.68 1.68 -0.14 0.16 -4.82 119.74 121.32 2wh4 s LYS 98 Ca 0.10 -0.59 -0.14 0.00 -1.36 0.00 0.00 55.97 53.98 2wh4 s LYS 98 Cb -0.19 -5.16 0.01 0.00 -1.68 0.00 0.00 37.83 30.81 2wh4 s LYS 98 CO -0.12 -2.94 1.12 1.03 -0.76 0.00 0.00 175.35 173.68 2wh4 s ARG 99 N 6.27 2.64 0.09 1.68 0.52 -1.26 -0.22 118.95 128.67 2wh4 s ARG 99 Ca 0.61 1.40 0.06 0.00 -0.52 0.00 0.00 55.73 57.28 2wh4 s ARG 99 Cb -0.04 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 2wh4 s ARG 99 CO -0.04 -1.37 -0.15 -0.08 0.02 0.00 0.00 175.30 173.67 2wh4 s THR 100 N -2.38 1.29 0.21 0.02 -1.32 -1.26 -2.53 115.64 109.66 2wh4 s THR 100 Ca 0.67 -1.47 0.11 0.00 -1.21 0.00 0.00 61.69 59.79 2wh4 s THR 100 Cb -0.21 -1.29 -0.04 0.00 -1.51 0.00 0.00 72.50 69.44 2wh4 s THR 100 CO 0.44 -0.25 -0.21 -0.44 -2.21 0.00 0.00 174.62 171.95 2wh4 s SER 101 N -1.98 3.24 -0.33 8.08 0.01 -0.38 0.36 113.70 122.70 2wh4 s SER 101 Ca 0.03 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 56.39 2wh4 s SER 101 Cb -0.09 -0.23 0.10 0.00 0.21 0.00 0.00 66.02 66.01 2wh4 s SER 101 CO 0.03 0.05 0.08 -1.00 0.41 0.00 0.00 173.24 172.81 2wh4 s HIS 102 N -2.01 2.73 -0.52 2.43 3.76 -0.54 0.41 115.29 121.55 2wh4 s HIS 102 Ca 0.22 -2.40 -0.20 0.00 -0.15 0.00 0.00 55.06 52.52 2wh4 s HIS 102 Cb -0.06 -2.33 0.06 0.00 1.11 0.00 0.00 32.58 31.36 2wh4 s HIS 102 CO 0.10 -0.91 0.69 0.42 -0.85 0.00 0.00 174.74 174.20 2wh4 s ILE 103 N 1.18 4.77 -0.13 0.60 1.01 -0.70 -1.60 121.20 126.34 2wh4 s ILE 103 Ca 0.11 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 2wh4 s ILE 103 Cb -0.19 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 2wh4 s ILE 103 CO -0.15 -0.88 0.09 -0.89 0.00 0.00 0.00 174.94 173.11 2wh4 s THR 104 N 2.90 5.11 -0.23 2.92 2.01 -0.66 -1.39 115.64 126.30 2wh4 s THR 104 Ca 0.18 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 2wh4 s THR 104 Cb -0.18 -3.23 0.09 0.00 0.01 0.00 0.00 72.50 69.18 2wh4 s THR 104 CO 0.13 0.58 0.14 -0.69 -0.69 0.00 0.00 174.62 174.09 2wh4 s VAL 105 N -0.66 -0.14 -0.10 3.82 1.01 -1.26 -1.89 120.40 121.18 2wh4 s VAL 105 Ca 0.12 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 2wh4 s VAL 105 Cb -0.12 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2wh4 s VAL 105 CO 0.02 -0.46 0.35 0.27 0.00 0.00 0.00 175.10 175.29 2wh4 s ILE 106 N 2.17 5.22 0.20 2.22 -4.36 -0.81 -2.41 121.20 123.44 2wh4 s ILE 106 Ca 0.06 0.70 0.05 0.00 -0.26 0.00 0.00 60.65 61.19 2wh4 s ILE 106 Cb -0.16 -3.68 -0.03 0.00 1.25 0.00 0.00 42.46 39.84 2wh4 s ILE 106 CO -0.22 0.45 0.25 -0.22 0.24 0.00 0.00 174.94 175.44 2wh4 s LEU 107 N -0.06 4.08 0.30 0.37 2.96 0.79 -2.05 118.68 125.07 2wh4 s LEU 107 Ca 0.21 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2wh4 s LEU 107 Cb -0.14 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 2wh4 s LEU 107 CO 0.08 -0.00 0.37 -0.83 -1.32 0.00 0.00 176.35 174.65 2wh4 s GLY 108 N -3.57 1.46 0.28 7.98 0.00 -0.71 -0.72 107.32 112.03 2wh4 s GLY 108 Ca 0.33 -1.54 0.06 0.00 0.00 0.00 0.00 44.72 43.58 2wh4 s GLY 108 CO 0.27 -1.09 0.32 -0.54 0.00 0.00 0.00 173.10 172.05 2wh4 s GLU 109 N -3.51 3.10 0.00 2.90 2.02 -1.26 -1.65 118.70 120.31 2wh4 s GLU 109 Ca 0.33 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.33 2wh4 s GLU 109 Cb 0.01 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.54 2wh4 s GLU 109 CO 0.18 0.30 0.00 1.17 0.02 0.00 0.00 175.26 176.93 2wh4 n LYS 110 N -1.37 3.45 -0.99 1.61 3.00 0.43 -4.88 118.16 119.41 2wh4 n LYS 110 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.89 2wh4 n LYS 110 Cb 0.58 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.66 2wh4 n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2wh4 n HIS 111 N 0.00 -4.65 -2.70 5.64 1.44 -1.26 -4.97 115.22 108.71 2wh4 n HIS 111 Ca 0.00 0.02 -0.04 0.00 -2.01 0.00 0.00 57.72 55.69 2wh4 n HIS 111 Cb 0.00 -1.49 0.11 0.00 0.12 0.00 0.00 29.99 28.73 2wh4 n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wh4 n GLY 112 N 3.20 1.77 0.61 -1.39 0.00 -1.26 -5.09 105.19 103.03 2wh4 n GLY 112 Ca -0.00 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.83 2wh4 n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90