#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 s ARG 2 N 0.00 3.15 -0.23 0.03 0.52 -0.98 -4.84 118.95 116.59 2wh1 s ARG 2 Ca 0.00 -0.63 -0.15 0.00 -0.52 0.00 0.00 55.73 54.43 2wh1 s ARG 2 Cb 0.00 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 2wh1 s ARG 2 CO 0.00 0.56 0.37 0.50 0.02 0.00 0.00 175.30 176.75 2wh1 s ARG 3 N -2.71 4.10 0.32 3.54 3.52 -1.26 -1.55 118.95 124.90 2wh1 s ARG 3 Ca 0.32 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 2wh1 s ARG 3 Cb -0.12 -3.59 -0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2wh1 s ARG 3 CO 0.25 -0.14 0.01 0.66 -0.81 0.00 0.00 175.30 175.28 2wh1 n TYR 4 N 4.83 0.69 -3.37 5.12 4.01 0.51 0.80 117.16 129.76 2wh1 n TYR 4 Ca -0.09 -1.60 -0.16 0.00 -0.16 0.00 0.00 57.90 55.90 2wh1 n TYR 4 Cb 0.51 -0.19 -0.08 0.00 -0.31 0.00 0.00 39.34 39.26 2wh1 n TYR 4 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2wh1 s GLU 5 N -3.15 0.47 -0.05 -0.72 2.02 -0.52 -2.85 118.70 113.90 2wh1 s GLU 5 Ca 0.01 -0.40 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 2wh1 s GLU 5 Cb 0.00 -0.63 -0.02 0.00 0.10 0.00 0.00 34.13 33.58 2wh1 s GLU 5 CO 0.01 -1.10 1.05 0.08 0.02 0.00 0.00 175.26 175.32 2wh1 s VAL 6 N 2.00 4.65 -0.32 2.63 1.01 -0.94 -2.44 120.40 126.99 2wh1 s VAL 6 Ca 0.13 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2wh1 s VAL 6 Cb -0.14 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.08 2wh1 s VAL 6 CO -0.20 0.06 0.03 0.20 0.00 0.00 0.00 175.10 175.18 2wh1 s ASN 7 N 1.14 4.85 -0.13 3.32 0.02 -0.46 -1.24 114.94 122.43 2wh1 s ASN 7 Ca 0.52 -1.62 -0.02 0.00 -1.02 0.00 0.00 52.86 50.72 2wh1 s ASN 7 Cb -0.21 -1.69 -0.03 0.00 0.02 0.00 0.00 41.25 39.35 2wh1 s ASN 7 CO 0.22 -0.33 -0.06 -0.63 0.02 0.00 0.00 177.10 176.33 2wh1 s ILE 8 N 1.13 3.69 -0.15 0.60 1.01 -1.26 -2.39 121.20 123.82 2wh1 s ILE 8 Ca -0.00 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2wh1 s ILE 8 Cb -0.20 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.71 2wh1 s ILE 8 CO -0.04 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 174.57 2wh1 s VAL 9 N 0.10 1.75 0.25 2.92 1.01 -1.09 -1.73 120.40 123.62 2wh1 s VAL 9 Ca -0.02 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.29 2wh1 s VAL 9 Cb -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2wh1 s VAL 9 CO 0.03 0.49 0.11 -0.76 0.00 0.00 0.00 175.10 174.97 2wh1 s LEU 10 N 1.33 3.56 -0.15 3.92 1.02 -0.84 -0.85 118.68 126.67 2wh1 s LEU 10 Ca 0.03 -0.40 -0.29 0.00 0.02 0.00 0.00 54.13 53.49 2wh1 s LEU 10 Cb -0.13 -2.10 -0.07 0.00 0.02 0.00 0.00 46.19 43.92 2wh1 s LEU 10 CO -0.10 -0.01 2.15 -3.20 0.02 0.00 0.00 176.35 175.21 2wh1 n ASN 11 N -1.00 3.47 -0.34 2.29 2.85 -0.26 -1.71 115.26 120.55 2wh1 n ASN 11 Ca -0.07 0.41 0.04 0.00 -0.11 0.00 0.00 54.58 54.85 2wh1 n ASN 11 Cb 0.58 -1.53 0.20 0.00 1.24 0.00 0.00 39.78 40.26 2wh1 n ASN 11 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wh1 h PRO 12 N 13.66 0.96 0.00 1.20 0.13 -1.89 -2.94 132.00 143.12 2wh1 h PRO 12 Ca -0.43 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wh1 h PRO 12 Cb 1.24 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2wh1 h PRO 12 CO 0.96 0.63 0.00 0.09 -0.23 0.00 0.00 178.00 179.45 2wh1 n ASN 13 N -4.62 0.00 -1.71 1.44 3.02 -1.26 -4.59 115.26 107.54 2wh1 n ASN 13 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2wh1 n ASN 13 Cb 0.28 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 2wh1 n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wh1 n LEU 14 N -0.65 0.00 -3.67 3.41 4.77 -1.11 -5.13 117.00 114.62 2wh1 n LEU 14 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2wh1 n LEU 14 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wh1 n LEU 14 CO 0.00 0.00 1.09 1.51 -1.33 0.00 0.00 177.39 178.66 2wh1 s ASP 15 N -1.17 -0.04 0.00 -1.43 1.47 -1.26 -4.97 116.67 109.27 2wh1 s ASP 15 Ca 0.00 -0.13 0.04 0.00 1.18 0.00 0.00 52.55 53.64 2wh1 s ASP 15 Cb 0.00 0.14 0.23 0.00 -0.34 0.00 0.00 42.92 42.95 2wh1 s ASP 15 CO 0.00 -0.27 0.91 0.00 0.68 0.00 0.00 175.17 176.49 2wh1 n GLN 16 N -0.56 0.08 -0.48 2.11 0.00 -1.26 0.11 117.38 117.38 2wh1 n GLN 16 Ca -0.07 0.18 0.08 0.00 0.00 0.00 0.00 57.00 57.20 2wh1 n GLN 16 Cb 0.62 -1.50 0.28 0.00 0.00 0.00 0.00 30.24 29.64 2wh1 n GLN 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2wh1 n SER 17 N -1.21 4.11 0.09 2.61 7.64 -1.26 -3.84 113.62 121.76 2wh1 n SER 17 Ca 0.02 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.32 2wh1 n SER 17 Cb 0.03 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2wh1 n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wh1 n GLN 18 N 0.35 0.00 -0.27 1.43 6.02 -0.39 -4.71 117.38 119.82 2wh1 n GLN 18 Ca 0.21 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.30 2wh1 n GLN 18 Cb 0.81 0.00 0.35 0.00 1.02 0.00 0.00 30.24 32.42 2wh1 n GLN 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2wh1 h LEU 19 N 0.00 0.70 -0.44 1.08 6.46 0.50 0.90 115.31 124.51 2wh1 h LEU 19 Ca 0.00 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.69 2wh1 h LEU 19 Cb 0.00 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 2wh1 h LEU 19 CO 0.00 0.38 -0.52 0.00 -0.62 0.00 0.00 178.44 177.68 2wh1 h ALA 20 N 1.59 0.78 0.00 1.25 0.00 -1.67 -0.75 119.26 120.45 2wh1 h ALA 20 Ca 0.43 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wh1 h ALA 20 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wh1 h ALA 20 CO -0.19 0.64 0.00 1.28 0.00 0.00 0.00 179.25 180.98 2wh1 n LEU 21 N -3.40 0.00 -0.09 0.00 4.32 0.29 -3.11 117.00 115.01 2wh1 n LEU 21 Ca 0.01 0.23 -0.18 0.00 -0.02 0.00 0.00 56.01 56.04 2wh1 n LEU 21 Cb 0.66 -0.23 -0.06 0.00 -1.62 0.00 0.00 43.42 42.17 2wh1 n LEU 21 CO 0.40 -0.01 -1.09 -0.62 -1.22 0.00 0.00 177.39 174.84 2wh1 n GLU 22 N -1.23 0.37 -0.38 3.23 -0.58 0.27 -4.31 120.64 118.01 2wh1 n GLU 22 Ca 0.15 0.16 0.38 0.00 -0.42 0.00 0.00 57.16 57.43 2wh1 n GLU 22 Cb 0.20 -1.12 0.74 0.00 -0.57 0.00 0.00 31.44 30.69 2wh1 n GLU 22 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2wh1 h LYS 23 N -0.60 0.00 0.29 3.49 1.57 -1.19 0.30 116.57 120.43 2wh1 h LYS 23 Ca -0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 2wh1 h LYS 23 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2wh1 h LYS 23 CO -0.26 0.00 -0.14 1.05 -0.57 0.00 0.00 179.45 179.53 2wh1 h GLU 24 N 0.00 -0.38 -1.31 3.15 4.11 -1.76 -3.14 114.58 115.26 2wh1 h GLU 24 Ca 0.63 0.03 0.38 0.00 0.07 0.00 0.00 59.36 60.46 2wh1 h GLU 24 Cb 2.65 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 31.91 2wh1 h GLU 24 CO -0.01 -0.04 0.91 0.82 0.07 0.00 0.00 179.01 180.76 2wh1 h ILE 25 N -0.81 0.33 0.09 -1.06 1.08 -0.59 -1.11 117.51 115.44 2wh1 h ILE 25 Ca -0.04 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2wh1 h ILE 25 Cb 0.51 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 2wh1 h ILE 25 CO 0.07 0.02 -0.04 0.40 -0.69 0.00 0.00 178.15 177.90 2wh1 h ILE 26 N 0.08 1.16 -0.96 -0.67 2.04 -1.49 -0.91 117.51 116.76 2wh1 h ILE 26 Ca 0.66 -1.17 0.09 0.00 1.00 0.00 0.00 64.86 65.44 2wh1 h ILE 26 Cb 2.41 1.88 -0.07 0.00 -0.74 0.00 0.00 36.82 40.30 2wh1 h ILE 26 CO -0.11 0.28 0.60 1.56 0.00 0.00 0.00 178.15 180.47 2wh1 h GLN 27 N -0.69 1.00 -0.03 2.37 1.08 -1.17 0.17 115.11 117.84 2wh1 h GLN 27 Ca -0.01 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.01 2wh1 h GLN 27 Cb 0.54 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2wh1 h GLN 27 CO 0.02 0.66 -0.53 0.00 -0.95 0.00 0.00 178.83 178.04 2wh1 h ARG 28 N 1.03 0.08 0.47 1.46 3.08 -1.46 -2.33 114.38 116.72 2wh1 h ARG 28 Ca 0.44 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 2wh1 h ARG 28 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2wh1 h ARG 28 CO -0.22 0.59 -0.23 0.00 -1.07 0.00 0.00 179.97 179.04 2wh1 h ALA 29 N 1.40 -0.63 -0.12 0.04 0.00 0.51 -2.52 119.26 117.95 2wh1 h ALA 29 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2wh1 h ALA 29 Cb 0.95 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wh1 h ALA 29 CO 0.07 -0.64 0.14 -0.07 0.00 0.00 0.00 179.25 178.75 2wh1 h LEU 30 N -1.06 0.00 -0.02 0.00 3.38 -0.79 0.13 115.31 116.95 2wh1 h LEU 30 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2wh1 h LEU 30 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2wh1 h LEU 30 CO 0.11 0.00 -0.09 -0.08 0.09 0.00 0.00 178.44 178.47 2wh1 h GLU 31 N 0.00 0.00 0.02 1.13 4.81 -1.33 -1.66 114.58 117.55 2wh1 h GLU 31 Ca 0.06 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.01 2wh1 h GLU 31 Cb 0.33 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2wh1 h GLU 31 CO -0.00 0.09 -1.48 -0.91 -0.73 0.00 0.00 179.01 175.97 2wh1 h ASN 32 N 0.00 0.06 -0.42 1.04 -0.26 -0.32 -3.33 115.58 112.34 2wh1 h ASN 32 Ca -0.00 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 2wh1 h ASN 32 Cb 1.06 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 2wh1 h ASN 32 CO 0.01 1.08 0.00 -1.22 -1.06 0.00 0.00 177.43 176.24 2wh1 n TYR 33 N -3.20 1.42 -2.12 1.19 0.53 -0.77 -5.05 117.16 109.15 2wh1 n TYR 33 Ca -0.12 -0.78 0.00 0.00 -1.02 0.00 0.00 57.90 55.98 2wh1 n TYR 33 Cb 1.02 -0.37 0.00 0.00 -1.03 0.00 0.00 39.34 38.96 2wh1 n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wh1 n GLY 34 N 0.14 -3.87 3.15 2.72 0.00 -0.67 -4.66 105.19 102.00 2wh1 n GLY 34 Ca 0.24 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.29 2wh1 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh1 s ALA 35 N -0.39 -3.40 -1.11 4.61 0.00 -0.94 -4.30 121.76 116.23 2wh1 s ALA 35 Ca 0.00 1.30 -0.23 0.00 0.00 0.00 0.00 51.96 53.03 2wh1 s ALA 35 Cb 0.00 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.38 2wh1 s ALA 35 CO 0.00 -1.92 1.90 0.50 0.00 0.00 0.00 175.76 176.25 2wh1 s ARG 36 N 2.91 2.68 -0.06 0.00 3.52 -1.11 -4.82 118.95 122.08 2wh1 s ARG 36 Ca 0.19 -0.98 -0.38 0.00 -0.13 0.00 0.00 55.73 54.43 2wh1 s ARG 36 Cb -0.06 -5.22 -0.16 0.00 -1.56 0.00 0.00 34.95 27.95 2wh1 s ARG 36 CO -0.23 -3.60 1.52 0.28 -0.81 0.00 0.00 175.30 172.46 2wh1 n VAL 37 N 7.67 0.13 0.00 7.11 0.31 -1.26 -4.00 118.33 128.29 2wh1 n VAL 37 Ca 0.43 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 2wh1 n VAL 37 Cb 0.47 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 2wh1 n VAL 37 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wh1 n GLU 38 N 3.75 0.00 0.00 5.55 1.02 0.26 -4.99 120.64 126.22 2wh1 n GLU 38 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2wh1 n GLU 38 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 2wh1 n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wh1 n LYS 39 N 0.00 -1.07 -3.64 3.49 5.02 -1.25 -4.88 118.16 115.83 2wh1 n LYS 39 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 2wh1 n LYS 39 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2wh1 n LYS 39 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wh1 s VAL 40 N -0.76 0.00 0.14 -0.18 0.11 -1.26 -4.04 120.40 114.40 2wh1 s VAL 40 Ca 0.00 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 2wh1 s VAL 40 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2wh1 s VAL 40 CO 0.00 0.00 0.36 -1.61 -3.33 0.00 0.00 175.10 170.52 2wh1 s GLU 41 N -1.53 1.09 -0.45 1.54 2.02 -0.78 -5.05 118.70 115.54 2wh1 s GLU 41 Ca 0.10 -0.86 0.07 0.00 0.02 0.00 0.00 54.97 54.30 2wh1 s GLU 41 Cb -0.01 0.44 0.30 0.00 0.10 0.00 0.00 34.13 34.96 2wh1 s GLU 41 CO -0.05 -0.42 1.00 -1.91 0.02 0.00 0.00 175.26 173.90 2wh1 n GLU 42 N -0.21 0.95 0.00 1.61 2.13 -1.26 -3.05 120.64 120.80 2wh1 n GLU 42 Ca -0.13 -2.13 0.00 0.00 0.66 0.00 0.00 57.16 55.55 2wh1 n GLU 42 Cb 0.63 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 31.13 2wh1 n GLU 42 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2wh1 n LEU 43 N 0.65 0.00 0.00 4.31 4.32 -1.18 -4.85 117.00 120.25 2wh1 n LEU 43 Ca 0.10 0.15 0.11 0.00 -0.02 0.00 0.00 56.01 56.35 2wh1 n LEU 43 Cb 0.67 -0.15 -0.03 0.00 -1.62 0.00 0.00 43.42 42.29 2wh1 n LEU 43 CO 0.07 -0.15 -0.14 0.61 -1.22 0.00 0.00 177.39 176.55 2wh1 n GLY 44 N -1.15 -1.22 2.30 -0.72 0.00 -1.07 -4.81 105.19 98.52 2wh1 n GLY 44 Ca 0.00 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 2wh1 n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wh1 n LEU 45 N 0.00 -0.17 -3.69 0.99 7.94 -1.26 -3.66 117.00 117.15 2wh1 n LEU 45 Ca 0.01 0.76 -0.14 0.00 -1.11 0.00 0.00 56.01 55.52 2wh1 n LEU 45 Cb 0.35 -0.61 -0.08 0.00 0.53 0.00 0.00 43.42 43.61 2wh1 n LEU 45 CO 0.01 -1.41 0.16 -0.13 -1.11 0.00 0.00 177.39 174.91 2wh1 s ARG 46 N -0.14 0.72 0.03 1.96 0.52 0.54 -4.94 118.95 117.64 2wh1 s ARG 46 Ca 0.56 0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 55.68 2wh1 s ARG 46 Cb -0.79 0.33 -0.06 0.00 0.52 0.00 0.00 34.95 34.95 2wh1 s ARG 46 CO 0.37 -0.18 1.36 1.03 0.02 0.00 0.00 175.30 177.91 2wh1 s ARG 47 N -0.74 4.31 0.47 3.54 0.52 -1.26 -1.32 118.95 124.46 2wh1 s ARG 47 Ca -0.08 1.95 -0.12 0.00 -0.52 0.00 0.00 55.73 56.96 2wh1 s ARG 47 Cb -0.03 -3.48 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 2wh1 s ARG 47 CO 0.04 -0.50 0.87 -0.51 0.02 0.00 0.00 175.30 175.22 2wh1 s LEU 48 N 1.97 3.68 0.49 2.53 1.43 -0.27 -4.93 118.68 123.58 2wh1 s LEU 48 Ca 0.63 1.29 0.29 0.00 -1.03 0.00 0.00 54.13 55.30 2wh1 s LEU 48 Cb -0.32 -4.21 1.00 0.00 0.03 0.00 0.00 46.19 42.69 2wh1 s LEU 48 CO 0.27 -0.52 1.85 0.00 0.23 0.00 0.00 176.35 178.18 2wh1 h ALA 49 N 0.90 0.99 -2.80 4.21 0.00 -1.95 -3.46 119.26 117.15 2wh1 h ALA 49 Ca -0.47 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2wh1 h ALA 49 Cb 1.19 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 2wh1 h ALA 49 CO 0.63 0.09 0.12 1.52 0.00 0.00 0.00 179.25 181.60 2wh1 s TYR 50 N -3.54 -0.45 0.21 0.00 1.13 -1.26 -5.15 117.35 108.29 2wh1 s TYR 50 Ca 0.02 0.30 -0.32 0.00 -1.41 0.00 0.00 57.07 55.67 2wh1 s TYR 50 Cb 0.08 0.45 -0.13 0.00 -1.10 0.00 0.00 41.96 41.26 2wh1 s TYR 50 CO 0.60 -0.77 1.51 -0.35 -2.51 0.00 0.00 175.55 174.03 2wh1 n PRO 51 N -0.14 2.19 -3.91 -3.49 -0.04 -1.26 -4.89 135.00 123.46 2wh1 n PRO 51 Ca -0.17 0.78 -0.30 0.00 -0.04 0.00 0.00 63.50 63.77 2wh1 n PRO 51 Cb 0.63 -2.51 -0.15 0.00 -0.04 0.00 0.00 33.50 31.43 2wh1 n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2wh1 s ILE 52 N 0.39 1.55 -1.18 0.52 -1.09 0.25 -4.61 121.20 117.04 2wh1 s ILE 52 Ca 0.72 -1.51 -0.06 0.00 -2.23 0.00 0.00 60.65 57.58 2wh1 s ILE 52 Cb -0.64 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 38.28 2wh1 s ILE 52 CO 0.44 -0.34 0.76 0.00 -1.23 0.00 0.00 174.94 174.58 2wh1 n ALA 53 N 4.62 -0.95 0.00 9.38 0.00 -1.26 -1.41 120.51 130.89 2wh1 n ALA 53 Ca -0.06 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2wh1 n ALA 53 Cb 0.43 -4.03 0.00 0.00 0.00 0.00 0.00 19.45 15.85 2wh1 n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh1 n LYS 54 N -3.85 0.00 -1.94 0.00 4.76 -1.26 -4.95 118.16 110.93 2wh1 n LYS 54 Ca -0.04 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.99 2wh1 n LYS 54 Cb 0.57 -1.38 -0.02 0.00 -1.84 0.00 0.00 35.03 32.37 2wh1 n LYS 54 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2wh1 s ASP 55 N -0.60 6.55 0.20 4.39 -1.08 -0.50 -4.88 116.67 120.75 2wh1 s ASP 55 Ca 0.00 2.82 0.24 0.00 -0.52 0.00 0.00 52.55 55.09 2wh1 s ASP 55 Cb 0.00 -2.64 0.34 0.00 -1.46 0.00 0.00 42.92 39.16 2wh1 s ASP 55 CO 0.00 -0.75 1.37 1.55 0.52 0.00 0.00 175.17 177.86 2wh1 h PRO 56 N 4.17 0.00 -5.20 4.34 0.13 -1.90 0.74 132.00 134.28 2wh1 h PRO 56 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 2wh1 h PRO 56 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 2wh1 h PRO 56 CO 0.72 0.00 -0.62 -0.65 -0.23 0.00 0.00 178.00 177.22 2wh1 s GLN 57 N -3.21 1.58 0.18 0.86 -0.21 -1.26 -1.11 119.66 116.49 2wh1 s GLN 57 Ca 0.06 -1.86 -0.09 0.00 0.02 0.00 0.00 55.36 53.49 2wh1 s GLN 57 Cb 0.11 -0.80 -0.01 0.00 1.00 0.00 0.00 33.01 33.31 2wh1 s GLN 57 CO 0.71 -0.17 0.29 0.20 -2.12 0.00 0.00 175.29 174.20 2wh1 s GLY 58 N -3.44 0.57 -0.47 3.09 0.00 -0.43 -4.56 107.32 102.07 2wh1 s GLY 58 Ca 0.35 -0.96 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 2wh1 s GLY 58 CO 0.14 -0.87 0.28 -0.47 0.00 0.00 0.00 173.10 172.19 2wh1 s TYR 59 N -3.99 3.53 0.33 1.90 5.04 -0.70 -0.34 117.35 123.12 2wh1 s TYR 59 Ca 0.19 -2.40 -0.26 0.00 -2.44 0.00 0.00 57.07 52.17 2wh1 s TYR 59 Cb 0.03 -3.27 -0.10 0.00 0.35 0.00 0.00 41.96 38.97 2wh1 s TYR 59 CO 0.02 -0.95 0.94 -0.06 -1.34 0.00 0.00 175.55 174.16 2wh1 s PHE 60 N 0.90 3.68 0.00 4.97 0.40 -1.24 -1.99 117.98 124.71 2wh1 s PHE 60 Ca 0.10 1.78 0.00 0.00 -0.60 0.00 0.00 56.93 58.21 2wh1 s PHE 60 Cb -0.23 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.38 2wh1 s PHE 60 CO -0.04 0.20 0.00 1.28 0.70 0.00 0.00 175.22 177.37 2wh1 n LEU 61 N 0.53 0.00 0.00 -0.37 4.32 -0.70 -2.59 117.00 118.18 2wh1 n LEU 61 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 2wh1 n LEU 61 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 2wh1 n LEU 61 CO 0.44 0.00 0.00 1.87 -1.22 0.00 0.00 177.39 178.48 2wh1 n TRP 62 N 0.00 0.00 -4.01 -1.77 -0.00 -1.17 -4.65 117.44 105.84 2wh1 n TRP 62 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.18 2wh1 n TRP 62 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.16 2wh1 n TRP 62 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 2wh1 s TYR 63 N 0.00 3.46 -0.32 5.87 2.02 -0.38 -1.87 117.35 126.13 2wh1 s TYR 63 Ca 0.00 -2.51 -0.27 0.00 -0.37 0.00 0.00 57.07 53.92 2wh1 s TYR 63 Cb 0.00 -2.38 0.01 0.00 -0.40 0.00 0.00 41.96 39.19 2wh1 s TYR 63 CO 0.00 -0.90 0.95 -1.14 -1.57 0.00 0.00 175.55 172.89 2wh1 s GLN 64 N 1.05 4.00 0.21 -0.62 0.74 -1.26 -2.22 119.66 121.57 2wh1 s GLN 64 Ca -0.01 0.85 0.00 0.00 0.05 0.00 0.00 55.36 56.25 2wh1 s GLN 64 Cb -0.20 -3.74 -0.05 0.00 1.10 0.00 0.00 33.01 30.13 2wh1 s GLN 64 CO -0.05 -0.82 0.09 0.14 -0.55 0.00 0.00 175.29 174.09 2wh1 s VAL 65 N 3.37 0.34 -0.08 1.34 -7.23 -1.13 -0.58 120.40 116.43 2wh1 s VAL 65 Ca 0.40 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 2wh1 s VAL 65 Cb -0.13 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 2wh1 s VAL 65 CO 0.14 -0.15 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.87 2wh1 s GLU 66 N -4.05 2.68 0.30 4.82 2.12 -1.26 -0.36 118.70 122.95 2wh1 s GLU 66 Ca 0.34 -0.81 -0.20 0.00 0.36 0.00 0.00 54.97 54.66 2wh1 s GLU 66 Cb 0.07 -2.11 0.04 0.00 0.26 0.00 0.00 34.13 32.39 2wh1 s GLU 66 CO 0.10 0.22 0.78 0.00 -0.54 0.00 0.00 175.26 175.82 2wh1 s MET 67 N 0.23 1.86 -0.00 4.30 0.23 -0.60 -2.74 119.30 122.58 2wh1 s MET 67 Ca -0.14 -1.10 -0.30 0.00 -1.03 0.00 0.00 55.69 53.12 2wh1 s MET 67 Cb -0.16 0.58 -0.09 0.00 -1.53 0.00 0.00 34.83 33.63 2wh1 s MET 67 CO 0.07 -0.86 2.00 -0.35 -2.03 0.00 0.00 175.02 173.84 2wh1 n PRO 68 N -0.50 2.71 0.31 3.16 -0.04 -1.26 -2.33 135.00 137.06 2wh1 n PRO 68 Ca -0.06 0.98 0.15 0.00 -0.04 0.00 0.00 63.50 64.53 2wh1 n PRO 68 Cb 0.59 -3.00 0.76 0.00 -0.04 0.00 0.00 33.50 31.82 2wh1 n PRO 68 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2wh1 h GLU 69 N 10.95 0.00 0.00 0.54 9.09 -1.95 -3.20 114.58 130.01 2wh1 h GLU 69 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 2wh1 h GLU 69 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2wh1 h GLU 69 CO 0.94 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 179.60 2wh1 n ASP 70 N -2.96 0.00 0.00 3.06 5.75 -1.26 -4.00 116.55 117.14 2wh1 n ASP 70 Ca -0.01 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 2wh1 n ASP 70 Cb 0.45 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 2wh1 n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wh1 n ARG 71 N -1.77 0.00 -0.07 0.11 1.74 -1.22 -2.39 116.66 113.06 2wh1 n ARG 71 Ca 0.00 0.27 0.17 0.00 -0.77 0.00 0.00 57.85 57.52 2wh1 n ARG 71 Cb 0.00 -1.72 0.60 0.00 -1.02 0.00 0.00 32.46 30.32 2wh1 n ARG 71 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2wh1 h VAL 72 N 0.00 0.78 0.01 1.55 3.04 -1.68 -0.62 116.25 119.33 2wh1 h VAL 72 Ca 0.00 -0.07 -0.20 0.00 -1.01 0.00 0.00 66.70 65.42 2wh1 h VAL 72 Cb 0.44 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 2wh1 h VAL 72 CO 0.00 0.04 -0.93 0.78 -1.01 0.00 0.00 177.57 176.45 2wh1 h ASN 73 N 0.21 0.09 -0.37 3.17 2.35 -1.74 -2.34 115.58 116.94 2wh1 h ASN 73 Ca 0.30 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2wh1 h ASN 73 Cb 0.88 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 2wh1 h ASN 73 CO -0.05 0.97 -0.16 0.44 -1.65 0.00 0.00 177.43 176.98 2wh1 h ASP 74 N 0.03 0.78 -0.68 5.81 3.32 -1.37 -2.67 116.42 121.64 2wh1 h ASP 74 Ca -0.03 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 2wh1 h ASP 74 Cb 1.62 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 2wh1 h ASP 74 CO 0.13 1.00 0.29 0.25 -1.72 0.00 0.00 179.24 179.19 2wh1 h LEU 75 N 0.56 0.94 -0.86 1.55 6.46 -1.37 0.68 115.31 123.27 2wh1 h LEU 75 Ca 0.09 -0.13 0.11 0.00 -0.12 0.00 0.00 57.88 57.82 2wh1 h LEU 75 Cb 0.70 -0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 40.31 2wh1 h LEU 75 CO 0.05 0.83 0.50 0.00 -0.62 0.00 0.00 178.44 179.20 2wh1 h ALA 76 N 1.31 1.25 0.00 1.25 0.00 -1.09 -2.37 119.26 119.61 2wh1 h ALA 76 Ca 0.24 0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.89 2wh1 h ALA 76 Cb 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2wh1 h ALA 76 CO -0.02 0.10 -1.69 -0.09 0.00 0.00 0.00 179.25 177.54 2wh1 h ARG 77 N 0.81 0.00 0.00 0.00 2.43 -1.21 -3.36 114.38 113.06 2wh1 h ARG 77 Ca 0.42 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 2wh1 h ARG 77 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2wh1 h ARG 77 CO -0.27 0.50 0.00 1.49 -1.51 0.00 0.00 179.97 180.19 2wh1 h GLU 78 N 0.00 0.00 0.06 0.20 4.57 0.86 -2.56 114.58 117.71 2wh1 h GLU 78 Ca -0.28 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.56 2wh1 h GLU 78 Cb 2.01 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.57 2wh1 h GLU 78 CO 0.08 0.00 -1.88 1.28 -1.18 0.00 0.00 179.01 177.31 2wh1 n LEU 79 N -2.48 2.39 -3.86 1.64 4.77 -1.00 -4.58 117.00 113.89 2wh1 n LEU 79 Ca -0.01 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 2wh1 n LEU 79 Cb 0.07 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2wh1 n LEU 79 CO 0.14 0.67 2.57 -2.11 -1.33 0.00 0.00 177.39 177.33 2wh1 n ARG 80 N -3.80 2.91 0.00 3.23 1.85 -0.97 -3.45 116.66 116.43 2wh1 n ARG 80 Ca -0.36 -2.71 0.00 0.00 -1.00 0.00 0.00 57.85 53.78 2wh1 n ARG 80 Cb 0.92 -3.32 0.00 0.00 -1.05 0.00 0.00 32.46 29.01 2wh1 n ARG 80 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2wh1 n ILE 81 N 5.27 0.00 -2.75 8.89 5.41 -1.26 -4.98 119.36 129.95 2wh1 n ILE 81 Ca 0.51 -0.12 -0.27 0.00 1.00 0.00 0.00 62.75 63.87 2wh1 n ILE 81 Cb 0.40 0.81 -0.01 0.00 -0.71 0.00 0.00 39.64 40.13 2wh1 n ILE 81 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2wh1 s ARG 82 N -0.39 3.57 0.00 0.38 1.81 -1.22 -5.00 118.95 118.09 2wh1 s ARG 82 Ca 0.00 0.18 0.25 0.00 -1.72 0.00 0.00 55.73 54.44 2wh1 s ARG 82 Cb 0.00 -2.41 0.48 0.00 -0.45 0.00 0.00 34.95 32.57 2wh1 s ARG 82 CO 0.00 -0.14 1.39 -0.25 -0.68 0.00 0.00 175.30 175.62 2wh1 n ASP 83 N -2.07 1.04 -0.07 0.23 10.43 -1.26 -3.99 116.55 120.86 2wh1 n ASP 83 Ca 0.00 -0.83 -0.16 0.00 2.57 0.00 0.00 54.79 56.38 2wh1 n ASP 83 Cb 0.55 0.30 -0.14 0.00 1.84 0.00 0.00 41.12 43.68 2wh1 n ASP 83 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2wh1 n ASN 84 N -0.86 1.44 -4.60 -2.24 3.02 -1.26 -4.80 115.26 105.95 2wh1 n ASN 84 Ca 0.09 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.29 2wh1 n ASN 84 Cb 0.36 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 2wh1 n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wh1 s VAL 85 N -2.54 4.01 -0.10 2.41 1.01 -1.26 -1.10 120.40 122.84 2wh1 s VAL 85 Ca -0.21 1.04 0.17 0.00 0.00 0.00 0.00 61.98 62.98 2wh1 s VAL 85 Cb 0.08 -4.30 -0.26 0.00 0.00 0.00 0.00 36.38 31.89 2wh1 s VAL 85 CO 0.73 -0.79 0.41 0.54 0.00 0.00 0.00 175.10 175.99 2wh1 n ARG 86 N 7.93 0.62 -3.81 2.72 1.74 -0.03 -4.75 116.66 121.08 2wh1 n ARG 86 Ca 0.15 -0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 56.95 2wh1 n ARG 86 Cb 0.48 -1.40 -0.15 0.00 -1.02 0.00 0.00 32.46 30.37 2wh1 n ARG 86 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wh1 s ARG 87 N -3.14 -0.01 -0.43 5.56 1.81 -1.23 -5.00 118.95 116.51 2wh1 s ARG 87 Ca -0.05 0.14 0.05 0.00 -1.72 0.00 0.00 55.73 54.15 2wh1 s ARG 87 Cb 0.11 -0.14 0.20 0.00 -0.45 0.00 0.00 34.95 34.67 2wh1 s ARG 87 CO 0.72 -0.10 0.43 0.28 -0.68 0.00 0.00 175.30 175.94 2wh1 n VAL 88 N 3.74 -0.70 -3.42 3.52 0.31 -1.25 -2.66 118.33 117.88 2wh1 n VAL 88 Ca -0.21 -3.80 -0.40 0.00 -0.01 0.00 0.00 64.34 59.92 2wh1 n VAL 88 Cb 0.54 -1.81 -0.09 0.00 -0.91 0.00 0.00 33.84 31.57 2wh1 n VAL 88 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2wh1 s MET 89 N -0.57 3.72 -0.27 5.55 0.00 -1.01 -4.93 119.30 121.80 2wh1 s MET 89 Ca 0.33 -0.28 -0.06 0.00 0.00 0.00 0.00 55.69 55.68 2wh1 s MET 89 Cb 0.08 -3.75 -0.00 0.00 0.00 0.00 0.00 34.83 31.16 2wh1 s MET 89 CO -0.16 -0.42 0.06 0.08 0.00 0.00 0.00 175.02 174.57 2wh1 s VAL 90 N 2.01 3.96 0.28 10.11 1.01 -1.26 -1.36 120.40 135.15 2wh1 s VAL 90 Ca 0.12 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.65 2wh1 s VAL 90 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2wh1 s VAL 90 CO 0.11 0.20 0.24 -0.69 0.00 0.00 0.00 175.10 174.96 2wh1 s VAL 91 N 1.53 4.09 -0.14 2.92 1.01 -1.02 -4.93 120.40 123.86 2wh1 s VAL 91 Ca 0.04 -1.39 -0.18 0.00 0.00 0.00 0.00 61.98 60.45 2wh1 s VAL 91 Cb -0.16 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2wh1 s VAL 91 CO 0.02 -0.28 0.49 -0.75 0.00 0.00 0.00 175.10 174.58 2wh1 s LYS 92 N -3.90 4.30 0.56 2.72 2.20 -1.26 -1.44 119.74 122.91 2wh1 s LYS 92 Ca 0.36 0.44 -0.21 0.00 -0.36 0.00 0.00 55.97 56.21 2wh1 s LYS 92 Cb -0.07 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 2wh1 s LYS 92 CO 0.26 0.07 1.21 0.43 -0.36 0.00 0.00 175.35 176.95 2wh1 n SER 93 N 3.99 1.95 -3.74 1.43 7.64 0.24 -4.88 113.62 120.24 2wh1 n SER 93 Ca -0.06 0.92 -0.13 0.00 1.01 0.00 0.00 58.87 60.61 2wh1 n SER 93 Cb 0.51 -1.50 -0.13 0.00 -1.01 0.00 0.00 64.21 62.08 2wh1 n SER 93 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2wh1 s GLN 94 N -2.80 0.20 -0.42 1.43 -0.21 -1.26 -4.97 119.66 111.64 2wh1 s GLN 94 Ca 0.73 0.47 -0.28 0.00 0.02 0.00 0.00 55.36 56.30 2wh1 s GLN 94 Cb -0.43 -0.09 -0.02 0.00 1.00 0.00 0.00 33.01 33.48 2wh1 s GLN 94 CO 0.49 -0.14 1.79 -1.21 -2.12 0.00 0.00 175.29 174.09 2wh1 s GLU 95 N 1.05 3.14 -0.18 2.91 2.02 -1.26 -4.86 118.70 121.53 2wh1 s GLU 95 Ca -0.08 1.15 -0.26 0.00 0.02 0.00 0.00 54.97 55.80 2wh1 s GLU 95 Cb -0.09 -4.24 -0.12 0.00 0.10 0.00 0.00 34.13 29.78 2wh1 s GLU 95 CO -0.07 -2.09 0.83 -2.30 0.02 0.00 0.00 175.26 171.65 2wh1 n PRO 96 N 8.61 0.00 -3.56 0.39 -0.02 -1.26 -4.94 135.00 134.22 2wh1 n PRO 96 Ca 0.22 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 2wh1 n PRO 96 Cb 0.48 -0.89 -0.11 0.00 -0.02 0.00 0.00 33.50 32.97 2wh1 n PRO 96 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wh1 s PHE 97 N 1.08 3.22 0.37 6.00 5.36 -1.26 -5.08 117.98 127.66 2wh1 s PHE 97 Ca 0.59 -0.45 0.08 0.00 -0.96 0.00 0.00 56.93 56.19 2wh1 s PHE 97 Cb -0.84 -2.45 -0.06 0.00 -0.34 0.00 0.00 43.02 39.33 2wh1 s PHE 97 CO 0.43 -0.45 0.03 -0.48 -1.46 0.00 0.00 175.22 173.28 2wh1 s LEU 98 N 1.67 2.94 0.35 6.12 0.05 -1.26 -5.15 118.68 123.39 2wh1 s LEU 98 Ca 0.05 -1.13 0.09 0.00 0.05 0.00 0.00 54.13 53.18 2wh1 s LEU 98 Cb -0.18 -1.20 -0.05 0.00 -2.05 0.00 0.00 46.19 42.70 2wh1 s LEU 98 CO 0.09 -0.34 0.03 0.00 -0.55 0.00 0.00 176.35 175.57 2wh1 s ALA 99 N -2.59 3.23 -1.52 1.48 0.00 -1.26 -4.69 121.76 116.41 2wh1 s ALA 99 Ca 0.36 -1.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.19 2wh1 s ALA 99 Cb 0.03 -0.35 0.09 0.00 0.00 0.00 0.00 23.12 22.90 2wh1 s ALA 99 CO 0.19 0.04 0.87 0.09 0.00 0.00 0.00 175.76 176.95 2wh1 n ASN 100 N -0.98 -4.59 -0.82 0.00 5.03 -1.26 -5.34 115.26 107.30 2wh1 n ASN 100 Ca -0.04 -0.72 0.10 0.00 0.87 0.00 0.00 54.58 54.79 2wh1 n ASN 100 Cb 0.63 -3.69 0.09 0.00 -1.02 0.00 0.00 39.78 35.78 2wh1 n ASN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43