#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi2 n SER 2 N 0.00 0.65 -3.61 1.61 7.64 -1.26 -4.93 113.62 113.72 1wi2 n SER 2 Ca 0.00 1.14 -0.07 0.00 1.01 0.00 0.00 58.87 60.95 1wi2 n SER 2 Cb 0.00 -1.05 -0.05 0.00 -1.01 0.00 0.00 64.21 62.10 1wi2 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wi2 s SER 3 N 0.11 -0.25 -0.30 6.43 0.15 -1.26 -5.18 113.70 113.41 1wi2 s SER 3 Ca 0.85 0.30 -0.21 0.00 0.70 0.00 0.00 55.95 57.59 1wi2 s SER 3 Cb -1.09 0.25 0.19 0.00 -1.71 0.00 0.00 66.02 63.65 1wi2 s SER 3 CO 0.53 -0.21 1.30 -0.83 1.20 0.00 0.00 173.24 175.23 1wi2 s GLY 4 N -0.90 0.37 0.40 9.45 0.00 -1.26 -5.18 107.32 110.19 1wi2 s GLY 4 Ca 0.03 3.51 0.07 0.00 0.00 0.00 0.00 44.72 48.33 1wi2 s GLY 4 CO -0.03 2.27 0.08 -1.35 0.00 0.00 0.00 173.10 174.07 1wi2 s SER 5 N 0.50 4.14 -0.07 1.64 1.04 -1.26 -5.15 113.70 114.54 1wi2 s SER 5 Ca 0.00 -1.20 -0.09 0.00 0.48 0.00 0.00 55.95 55.15 1wi2 s SER 5 Cb -0.04 -0.45 0.02 0.00 0.10 0.00 0.00 66.02 65.65 1wi2 s SER 5 CO -0.13 -0.46 0.24 -0.55 0.98 0.00 0.00 173.24 173.32 1wi2 s SER 6 N -3.79 -0.22 0.00 7.02 0.15 -1.26 -5.16 113.70 110.45 1wi2 s SER 6 Ca 0.38 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1wi2 s SER 6 Cb 0.06 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1wi2 s SER 6 CO 0.20 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1wi2 n GLY 7 N 2.61 5.24 3.16 9.45 0.00 -1.26 -5.16 105.19 119.22 1wi2 n GLY 7 Ca -0.15 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.37 1wi2 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wi2 s ASN 8 N 1.00 -0.17 0.15 1.61 2.47 -1.26 -5.18 114.94 113.56 1wi2 s ASN 8 Ca 0.00 0.12 0.05 0.00 0.42 0.00 0.00 52.86 53.45 1wi2 s ASN 8 Cb 0.00 1.15 -0.04 0.00 -1.45 0.00 0.00 41.25 40.90 1wi2 s ASN 8 CO 0.00 -0.03 -0.11 0.21 -3.72 0.00 0.00 177.10 173.45 1wi2 s ASN 9 N 2.86 1.83 -0.46 -4.21 3.84 -1.26 -5.11 114.94 112.42 1wi2 s ASN 9 Ca -0.07 -0.99 0.03 0.00 0.21 0.00 0.00 52.86 52.04 1wi2 s ASN 9 Cb -0.08 -0.02 0.14 0.00 -0.55 0.00 0.00 41.25 40.74 1wi2 s ASN 9 CO -0.09 -0.31 0.26 -1.61 -2.79 0.00 0.00 177.10 172.56 1wi2 s GLU 10 N -3.63 1.43 -0.41 0.43 2.02 -1.26 -4.99 118.70 112.30 1wi2 s GLU 10 Ca 0.16 -2.17 0.06 0.00 0.02 0.00 0.00 54.97 53.04 1wi2 s GLU 10 Cb 0.02 -2.50 0.21 0.00 0.10 0.00 0.00 34.13 31.96 1wi2 s GLU 10 CO 0.01 -1.17 0.46 1.28 0.02 0.00 0.00 175.26 175.86 1wi2 n LEU 11 N 3.37 -0.40 -4.01 1.80 4.77 -1.26 -5.10 117.00 116.17 1wi2 n LEU 11 Ca 0.10 -4.42 -0.24 0.00 -0.03 0.00 0.00 56.01 51.42 1wi2 n LEU 11 Cb 0.35 0.61 -0.16 0.00 -2.33 0.00 0.00 43.42 41.88 1wi2 n LEU 11 CO 0.25 1.96 -0.46 -0.89 -1.33 0.00 0.00 177.39 176.92 1wi2 s THR 12 N -0.44 1.03 0.08 -5.08 2.01 -1.26 -4.91 115.64 107.06 1wi2 s THR 12 Ca 0.34 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1wi2 s THR 12 Cb 0.10 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1wi2 s THR 12 CO -0.16 0.33 0.00 0.00 -0.69 0.00 0.00 174.62 174.10 1wi2 n GLN 13 N 3.79 0.00 -0.78 4.92 1.13 -1.26 -4.99 117.38 120.19 1wi2 n GLN 13 Ca -0.23 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.79 1wi2 n GLN 13 Cb 0.52 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.83 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1wi2 n PHE 14 N -2.67 0.00 -0.98 1.08 1.16 -1.26 -5.14 117.46 109.64 1wi2 n PHE 14 Ca 0.00 -0.29 -0.32 0.00 -1.87 0.00 0.00 57.45 54.96 1wi2 n PHE 14 Cb 0.00 0.39 0.14 0.00 -1.61 0.00 0.00 39.48 38.40 1wi2 n PHE 14 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1wi2 s LEU 15 N 0.00 3.03 1.09 5.98 1.43 -1.26 -4.91 118.68 124.05 1wi2 s LEU 15 Ca 0.00 2.27 -0.18 0.00 -1.03 0.00 0.00 54.13 55.19 1wi2 s LEU 15 Cb 0.00 -4.58 0.25 0.00 0.03 0.00 0.00 46.19 41.89 1wi2 s LEU 15 CO 0.00 -2.78 1.22 -2.16 0.23 0.00 0.00 176.35 172.86 1wi2 s PRO 16 N -4.36 -0.40 0.04 1.29 0.04 -1.26 -4.89 135.00 125.47 1wi2 s PRO 16 Ca 0.70 -0.28 0.02 0.00 0.04 0.00 0.00 61.00 61.48 1wi2 s PRO 16 Cb -0.26 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1wi2 s PRO 16 CO 0.53 -3.13 -0.08 -0.98 0.04 0.00 0.00 177.00 173.38 1wi2 s ARG 17 N -5.68 0.55 -0.40 4.56 1.70 -0.09 -5.01 118.95 114.59 1wi2 s ARG 17 Ca 0.73 -0.78 -0.12 0.00 -0.47 0.00 0.00 55.73 55.09 1wi2 s ARG 17 Cb -0.06 -0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.03 1wi2 s ARG 17 CO 0.55 0.06 0.25 0.42 -1.08 0.00 0.00 175.30 175.49 1wi2 s ILE 18 N -1.42 4.79 -0.73 4.99 -1.09 -1.26 -1.53 121.20 124.96 1wi2 s ILE 18 Ca -0.09 -0.87 -0.19 0.00 -2.23 0.00 0.00 60.65 57.27 1wi2 s ILE 18 Cb -0.10 -3.71 0.12 0.00 -1.58 0.00 0.00 42.46 37.19 1wi2 s ILE 18 CO 0.00 -0.31 0.89 -0.69 -1.23 0.00 0.00 174.94 173.60 1wi2 s VAL 19 N 1.59 4.79 -0.18 2.92 1.01 -0.18 -4.97 120.40 125.38 1wi2 s VAL 19 Ca 0.03 -1.22 -0.13 0.00 0.00 0.00 0.00 61.98 60.67 1wi2 s VAL 19 Cb -0.20 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 1wi2 s VAL 19 CO 0.07 -1.29 0.25 -0.89 0.00 0.00 0.00 175.10 173.24 1wi2 s THR 20 N 2.66 5.33 0.19 3.92 2.01 -1.26 -3.19 115.64 125.30 1wi2 s THR 20 Ca 0.20 0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.69 1wi2 s THR 20 Cb -0.16 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1wi2 s THR 20 CO 0.01 0.38 0.31 -0.76 -0.69 0.00 0.00 174.62 173.87 1wi2 s LEU 21 N 0.57 4.30 0.00 4.42 1.02 -0.96 -4.92 118.68 123.11 1wi2 s LEU 21 Ca 0.14 0.11 0.20 0.00 0.02 0.00 0.00 54.13 54.59 1wi2 s LEU 21 Cb -0.13 -2.86 0.39 0.00 0.02 0.00 0.00 46.19 43.62 1wi2 s LEU 21 CO 0.03 -0.01 1.33 0.29 0.02 0.00 0.00 176.35 178.01 1wi2 n LYS 22 N -0.96 2.38 -1.17 1.70 5.02 -1.26 -4.36 118.16 119.51 1wi2 n LYS 22 Ca -0.08 -2.17 -0.46 0.00 -2.02 0.00 0.00 58.31 53.58 1wi2 n LYS 22 Cb 0.55 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 1wi2 n LYS 22 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1wi2 n LYS 23 N 1.25 0.00 -1.56 1.97 4.81 -1.26 -4.86 118.16 118.51 1wi2 n LYS 23 Ca 0.17 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.31 1wi2 n LYS 23 Cb 0.54 -1.03 0.08 0.00 0.02 0.00 0.00 35.03 34.64 1wi2 n LYS 23 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1wi2 s PRO 24 N 1.74 2.27 -0.79 1.64 0.04 -1.26 -4.69 135.00 133.94 1wi2 s PRO 24 Ca 0.70 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.39 1wi2 s PRO 24 Cb -1.00 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 31.49 1wi2 s PRO 24 CO 0.54 -1.51 2.61 -0.35 0.04 0.00 0.00 177.00 178.33 1wi2 n PRO 25 N -3.37 2.33 0.00 0.56 -0.04 -1.26 -2.79 135.00 130.43 1wi2 n PRO 25 Ca 0.07 -1.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 1wi2 n PRO 25 Cb 0.56 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1wi2 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wi2 n GLY 26 N 3.31 0.00 1.77 0.55 0.00 -1.26 -5.17 105.19 104.39 1wi2 n GLY 26 Ca 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 1wi2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wi2 n ALA 27 N 0.00 0.31 -2.64 4.61 0.00 -1.12 -5.17 120.51 116.50 1wi2 n ALA 27 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 53.44 52.11 1wi2 n ALA 27 Cb 0.00 0.75 -0.07 0.00 0.00 0.00 0.00 19.45 20.12 1wi2 n ALA 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wi2 s GLN 28 N -2.82 2.28 0.00 0.00 -0.21 -1.26 -4.99 119.66 112.67 1wi2 s GLN 28 Ca 0.12 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 54.13 1wi2 s GLN 28 Cb 0.01 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.83 1wi2 s GLN 28 CO 0.08 0.38 0.25 1.28 -2.12 0.00 0.00 175.29 175.17 1wi2 n LEU 29 N -0.72 0.00 0.00 2.90 4.32 -1.26 -4.91 117.00 117.34 1wi2 n LEU 29 Ca -0.07 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1wi2 n LEU 29 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1wi2 n LEU 29 CO 0.40 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 1wi2 n GLY 30 N -0.35 1.51 3.43 -0.72 0.00 -1.26 -4.50 105.19 103.29 1wi2 n GLY 30 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1wi2 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wi2 s PHE 31 N -2.00 -0.52 0.09 1.61 -0.71 -1.26 0.19 117.98 115.37 1wi2 s PHE 31 Ca 0.00 0.48 0.02 0.00 -1.04 0.00 0.00 56.93 56.39 1wi2 s PHE 31 Cb 0.00 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 1wi2 s PHE 31 CO 0.00 -0.76 0.15 -0.80 -1.34 0.00 0.00 175.22 172.47 1wi2 s ASN 32 N -2.33 5.89 0.25 1.98 0.01 0.34 -4.93 114.94 116.16 1wi2 s ASN 32 Ca -0.02 0.09 0.11 0.00 -0.71 0.00 0.00 52.86 52.33 1wi2 s ASN 32 Cb -0.01 -1.69 -0.05 0.00 0.41 0.00 0.00 41.25 39.92 1wi2 s ASN 32 CO -0.07 0.15 -0.14 0.27 -1.51 0.00 0.00 177.10 175.80 1wi2 s ILE 33 N -1.50 2.81 0.33 0.60 -4.36 -1.26 -1.06 121.20 116.76 1wi2 s ILE 33 Ca 0.32 -2.12 -0.18 0.00 -0.26 0.00 0.00 60.65 58.41 1wi2 s ILE 33 Cb -0.12 -2.45 0.04 0.00 1.25 0.00 0.00 42.46 41.17 1wi2 s ILE 33 CO 0.25 -0.31 0.74 0.00 0.24 0.00 0.00 174.94 175.86 1wi2 s ARG 34 N -3.33 2.00 0.00 0.37 1.70 -1.06 -4.72 118.95 113.91 1wi2 s ARG 34 Ca 0.28 -1.23 0.00 0.00 -0.47 0.00 0.00 55.73 54.32 1wi2 s ARG 34 Cb -0.06 0.61 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 1wi2 s ARG 34 CO 0.15 -0.93 0.00 0.41 -1.08 0.00 0.00 175.30 173.86 1wi2 n GLY 35 N -0.49 -0.98 0.65 3.88 0.00 -1.26 -1.18 105.19 105.81 1wi2 n GLY 35 Ca -0.06 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1wi2 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wi2 n GLY 36 N 0.00 -3.91 3.82 -0.02 0.00 -1.19 -4.75 105.19 99.14 1wi2 n GLY 36 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 1wi2 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wi2 s LYS 37 N -3.48 1.16 0.10 1.61 1.02 -1.25 -4.95 119.74 113.95 1wi2 s LYS 37 Ca 0.00 -0.71 -0.28 0.00 0.02 0.00 0.00 55.97 55.00 1wi2 s LYS 37 Cb 0.00 0.35 -0.11 0.00 -0.52 0.00 0.00 37.83 37.55 1wi2 s LYS 37 CO 0.00 -0.54 1.46 0.00 -0.92 0.00 0.00 175.35 175.35 1wi2 h ALA 38 N 2.00 -0.80 -0.27 5.17 0.00 -2.02 -2.78 119.26 120.55 1wi2 h ALA 38 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wi2 h ALA 38 Cb 1.22 0.96 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1wi2 h ALA 38 CO 0.32 -0.98 0.00 0.45 0.00 0.00 0.00 179.25 179.04 1wi2 n SER 39 N -4.94 0.00 0.00 0.00 2.88 -1.26 -4.89 113.62 105.41 1wi2 n SER 39 Ca -0.05 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1wi2 n SER 39 Cb 0.31 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1wi2 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wi2 n GLN 40 N -2.81 0.00 0.00 -1.46 -0.00 -1.05 -5.14 117.38 106.92 1wi2 n GLN 40 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1wi2 n GLN 40 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1wi2 n LEU 41 N 0.00 0.00 -3.68 2.61 0.00 -1.26 -3.95 117.00 110.72 1wi2 n LEU 41 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 1wi2 n LEU 41 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 1wi2 n LEU 41 CO 0.00 -0.00 0.65 -0.83 0.00 0.00 0.00 177.39 177.21 1wi2 s GLY 42 N -0.03 -0.31 0.13 -3.96 0.00 -1.26 -4.54 107.32 97.35 1wi2 s GLY 42 Ca 0.00 0.33 -0.28 0.00 0.00 0.00 0.00 44.72 44.77 1wi2 s GLY 42 CO 0.00 0.09 0.89 -0.42 0.00 0.00 0.00 173.10 173.66 1wi2 s ILE 43 N -3.36 4.46 0.18 0.90 -1.09 -1.18 -3.16 121.20 117.95 1wi2 s ILE 43 Ca 0.09 1.92 0.02 0.00 -2.23 0.00 0.00 60.65 60.46 1wi2 s ILE 43 Cb -0.02 -4.25 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 1wi2 s ILE 43 CO -0.01 0.39 -0.00 -0.36 -1.23 0.00 0.00 174.94 173.72 1wi2 s PHE 44 N -0.37 1.27 -1.08 3.97 0.40 -0.32 -0.05 117.98 121.80 1wi2 s PHE 44 Ca 0.42 -1.00 -0.21 0.00 -0.60 0.00 0.00 56.93 55.54 1wi2 s PHE 44 Cb -0.23 -0.72 0.06 0.00 0.51 0.00 0.00 43.02 42.64 1wi2 s PHE 44 CO 0.28 -0.18 1.49 0.42 0.70 0.00 0.00 175.22 177.94 1wi2 s ILE 45 N -3.61 4.05 0.09 0.64 -1.09 -1.14 -2.55 121.20 117.58 1wi2 s ILE 45 Ca 0.25 -1.12 -0.33 0.00 -2.23 0.00 0.00 60.65 57.21 1wi2 s ILE 45 Cb 0.06 -5.07 -0.15 0.00 -1.58 0.00 0.00 42.46 35.72 1wi2 s ILE 45 CO 0.05 -1.92 1.52 0.77 -1.23 0.00 0.00 174.94 174.12 1wi2 h SER 46 N 9.16 -1.44 -5.12 3.58 4.64 -1.38 -3.14 113.55 119.86 1wi2 h SER 46 Ca 0.26 0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.61 1wi2 h SER 46 Cb 0.98 0.51 -0.16 0.00 -0.31 0.00 0.00 62.40 63.42 1wi2 h SER 46 CO 1.41 -0.56 -0.42 -0.75 -0.87 0.00 0.00 176.83 175.64 1wi2 s LYS 47 N -5.61 0.73 -0.02 4.77 2.36 -1.10 -4.83 119.74 116.04 1wi2 s LYS 47 Ca -0.16 -0.81 0.02 0.00 -2.55 0.00 0.00 55.97 52.47 1wi2 s LYS 47 Cb 0.05 0.29 0.01 0.00 -1.05 0.00 0.00 37.83 37.13 1wi2 s LYS 47 CO 0.57 -0.21 -0.06 0.08 1.55 0.00 0.00 175.35 177.27 1wi2 s VAL 48 N -3.16 0.59 0.12 4.02 1.01 -1.26 0.13 120.40 121.85 1wi2 s VAL 48 Ca -0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 1wi2 s VAL 48 Cb 0.02 -0.55 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 1wi2 s VAL 48 CO -0.07 0.20 1.49 -0.63 0.00 0.00 0.00 175.10 176.09 1wi2 s ILE 49 N 0.30 3.05 -0.62 2.22 -1.09 0.52 -4.86 121.20 120.71 1wi2 s ILE 49 Ca -0.04 0.70 -0.06 0.00 -2.23 0.00 0.00 60.65 59.02 1wi2 s ILE 49 Cb -0.08 -3.45 -0.13 0.00 -1.58 0.00 0.00 42.46 37.21 1wi2 s ILE 49 CO 0.00 0.04 2.65 -0.81 -1.23 0.00 0.00 174.94 175.59 1wi2 n PRO 50 N 4.31 2.15 0.00 2.79 -0.04 -1.26 -2.90 135.00 140.05 1wi2 n PRO 50 Ca 0.13 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1wi2 n PRO 50 Cb 0.41 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1wi2 n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wi2 n ASP 51 N 3.30 0.00 -3.39 3.54 5.68 -1.26 -5.14 116.55 119.28 1wi2 n ASP 51 Ca 0.46 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.55 1wi2 n ASP 51 Cb 0.42 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.35 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1wi2 n SER 52 N 0.00 1.54 0.09 -1.12 3.41 -1.14 -5.03 113.62 111.36 1wi2 n SER 52 Ca 0.00 -2.61 -0.04 0.00 -0.26 0.00 0.00 58.87 55.96 1wi2 n SER 52 Cb 0.00 0.66 0.14 0.00 -0.26 0.00 0.00 64.21 64.75 1wi2 n SER 52 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1wi2 h ASP 53 N 1.14 0.23 0.32 4.04 5.19 -1.91 -3.01 116.42 122.41 1wi2 h ASP 53 Ca -0.25 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.02 1wi2 h ASP 53 Cb 0.90 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1wi2 h ASP 53 CO 0.40 0.76 -0.15 0.00 -3.12 0.00 0.00 179.24 177.13 1wi2 h ALA 54 N 1.24 -0.43 -1.16 3.45 0.00 -1.88 1.46 119.26 121.95 1wi2 h ALA 54 Ca -0.00 -0.18 0.33 0.00 0.00 0.00 0.00 54.91 55.06 1wi2 h ALA 54 Cb 1.08 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1wi2 h ALA 54 CO 0.09 -0.58 0.76 1.25 0.00 0.00 0.00 179.25 180.77 1wi2 h HIS 55 N -0.74 0.51 0.17 0.00 6.17 -1.76 0.39 115.15 119.90 1wi2 h HIS 55 Ca -0.04 0.02 -0.35 0.00 0.71 0.00 0.00 60.37 60.70 1wi2 h HIS 55 Cb 0.50 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.29 1wi2 h HIS 55 CO 0.02 -0.03 -1.79 0.00 0.71 0.00 0.00 177.93 176.84 1wi2 h ARG 56 N 0.24 0.35 -0.90 5.26 3.08 -1.35 -3.32 114.38 117.75 1wi2 h ARG 56 Ca 0.66 -0.60 0.26 0.00 0.07 0.00 0.00 59.98 60.37 1wi2 h ARG 56 Cb 1.97 0.22 -0.04 0.00 0.08 0.00 0.00 29.97 32.21 1wi2 h ARG 56 CO -0.29 1.27 0.64 0.00 -1.07 0.00 0.00 179.97 180.53 1wi2 h ALA 57 N 0.15 2.78 0.00 0.04 0.00 0.62 -3.44 119.26 119.40 1wi2 h ALA 57 Ca -0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wi2 h ALA 57 Cb 2.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1wi2 h ALA 57 CO 0.16 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 178.77 1wi2 n GLY 58 N -1.69 1.17 3.87 0.00 0.00 0.00 -4.86 105.19 103.68 1wi2 n GLY 58 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1wi2 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wi2 s LEU 59 N 0.00 4.37 -0.10 0.99 1.02 -0.79 -5.04 118.68 119.13 1wi2 s LEU 59 Ca 0.00 0.69 -0.06 0.00 0.02 0.00 0.00 54.13 54.78 1wi2 s LEU 59 Cb 0.00 -2.76 0.04 0.00 0.02 0.00 0.00 46.19 43.48 1wi2 s LEU 59 CO 0.00 0.23 0.25 0.00 0.02 0.00 0.00 176.35 176.85 1wi2 s GLN 60 N -1.72 0.23 -0.37 1.70 -2.07 -1.26 -4.65 119.66 111.53 1wi2 s GLN 60 Ca 0.29 0.46 -0.41 0.00 -1.82 0.00 0.00 55.36 53.88 1wi2 s GLN 60 Cb -0.14 -0.03 -0.16 0.00 -1.09 0.00 0.00 33.01 31.60 1wi2 s GLN 60 CO 0.16 -0.12 1.92 0.39 -1.32 0.00 0.00 175.29 176.33 1wi2 n GLU 61 N 3.77 0.74 0.00 9.60 1.02 -1.26 -3.06 120.64 131.45 1wi2 n GLU 61 Ca -0.21 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1wi2 n GLU 61 Cb 0.55 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1wi2 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wi2 n GLY 62 N 5.47 0.68 2.76 0.62 0.00 -1.19 -4.31 105.19 109.23 1wi2 n GLY 62 Ca 0.37 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1wi2 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wi2 s ASP 63 N -1.13 3.25 0.20 1.61 1.11 -1.17 -4.58 116.67 115.97 1wi2 s ASP 63 Ca 0.00 -1.02 -0.31 0.00 0.18 0.00 0.00 52.55 51.40 1wi2 s ASP 63 Cb 0.00 -0.73 -0.10 0.00 1.07 0.00 0.00 42.92 43.16 1wi2 s ASP 63 CO 0.00 -0.32 1.49 -1.58 1.18 0.00 0.00 175.17 175.94 1wi2 s GLN 64 N 1.75 4.25 -0.67 8.23 0.74 -1.26 -2.88 119.66 129.81 1wi2 s GLN 64 Ca 0.00 2.31 -0.11 0.00 0.05 0.00 0.00 55.36 57.61 1wi2 s GLN 64 Cb -0.17 -3.14 0.17 0.00 1.10 0.00 0.00 33.01 30.97 1wi2 s GLN 64 CO -0.11 -0.50 0.58 0.08 -0.55 0.00 0.00 175.29 174.79 1wi2 s VAL 65 N 0.54 4.86 0.03 1.34 1.01 0.93 -3.49 120.40 125.62 1wi2 s VAL 65 Ca 0.64 -2.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.20 1wi2 s VAL 65 Cb -0.42 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1wi2 s VAL 65 CO 0.37 -0.93 1.15 -0.07 0.00 0.00 0.00 175.10 175.63 1wi2 h LEU 66 N 7.89 -0.44 -9.14 3.92 3.38 -1.35 -3.40 115.31 116.17 1wi2 h LEU 66 Ca -0.04 0.05 -0.44 0.00 0.09 0.00 0.00 57.88 57.54 1wi2 h LEU 66 Cb 1.03 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 1wi2 h LEU 66 CO 0.80 -0.16 -0.61 0.00 0.09 0.00 0.00 178.44 178.57 1wi2 s ALA 67 N -4.08 2.20 -0.21 1.53 0.00 -1.25 -0.03 121.76 119.92 1wi2 s ALA 67 Ca -0.05 -2.01 -0.04 0.00 0.00 0.00 0.00 51.96 49.86 1wi2 s ALA 67 Cb 0.02 0.76 0.08 0.00 0.00 0.00 0.00 23.12 23.98 1wi2 s ALA 67 CO 0.17 -0.35 0.13 0.08 0.00 0.00 0.00 175.76 175.79 1wi2 s VAL 68 N -3.41 -0.14 0.00 0.00 1.01 -0.85 -1.43 120.40 115.58 1wi2 s VAL 68 Ca 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1wi2 s VAL 68 Cb 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1wi2 s VAL 68 CO 0.15 -0.37 0.00 -3.20 0.00 0.00 0.00 175.10 171.68 1wi2 n ASN 69 N 5.28 0.00 0.00 3.32 2.85 0.57 -3.28 115.26 124.00 1wi2 n ASN 69 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1wi2 n ASN 69 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1wi2 n ASN 69 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1wi2 n ASP 70 N 3.13 0.00 -4.51 1.20 -0.08 -1.26 -4.90 116.55 110.13 1wi2 n ASP 70 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 1wi2 n ASP 70 Cb 0.00 0.11 0.12 0.00 2.34 0.00 0.00 41.12 43.68 1wi2 n ASP 70 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1wi2 n VAL 71 N -1.78 0.80 -3.18 5.18 0.31 -1.21 -4.93 118.33 113.52 1wi2 n VAL 71 Ca 0.00 -0.22 -0.39 0.00 -0.01 0.00 0.00 64.34 63.72 1wi2 n VAL 71 Cb 0.00 -0.80 -0.06 0.00 -0.91 0.00 0.00 33.84 32.07 1wi2 n VAL 71 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1wi2 s ASP 72 N -1.98 6.73 -0.51 4.52 1.11 -1.26 -2.00 116.67 123.28 1wi2 s ASP 72 Ca 0.63 0.87 0.02 0.00 0.18 0.00 0.00 52.55 54.26 1wi2 s ASP 72 Cb -0.26 -2.33 0.58 0.00 1.07 0.00 0.00 42.92 41.98 1wi2 s ASP 72 CO 0.61 -0.15 1.90 0.49 1.18 0.00 0.00 175.17 179.21 1wi2 n PHE 73 N 4.36 2.97 0.48 4.23 3.01 0.95 -4.32 117.46 129.14 1wi2 n PHE 73 Ca -0.03 -2.23 0.12 0.00 1.01 0.00 0.00 57.45 56.31 1wi2 n PHE 73 Cb 0.51 -1.06 0.14 0.00 -0.01 0.00 0.00 39.48 39.05 1wi2 n PHE 73 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1wi2 h GLN 74 N 1.36 0.00 -0.19 -1.08 4.20 -1.80 -3.11 115.11 114.48 1wi2 h GLN 74 Ca 0.59 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 59.13 1wi2 h GLN 74 Cb 2.07 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 29.71 1wi2 h GLN 74 CO 1.20 0.00 -0.39 -3.47 -0.67 0.00 0.00 178.83 175.51 1wi2 n ASP 75 N -2.23 -2.63 -4.41 1.46 -0.08 -1.26 -4.26 116.55 103.14 1wi2 n ASP 75 Ca 0.03 -2.82 -0.21 0.00 -1.51 0.00 0.00 54.79 50.28 1wi2 n ASP 75 Cb 0.46 1.55 -0.10 0.00 2.34 0.00 0.00 41.12 45.37 1wi2 n ASP 75 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1wi2 s ILE 76 N 0.64 1.81 0.32 5.18 2.07 -1.26 -5.06 121.20 124.90 1wi2 s ILE 76 Ca 0.30 -2.20 -0.26 0.00 -1.41 0.00 0.00 60.65 57.08 1wi2 s ILE 76 Cb 0.18 -2.28 -0.10 0.00 0.13 0.00 0.00 42.46 40.39 1wi2 s ILE 76 CO -0.17 -0.43 0.95 -1.61 -1.91 0.00 0.00 174.94 171.77 1wi2 s GLU 77 N -3.66 4.58 0.06 3.50 0.41 -1.26 -4.64 118.70 117.69 1wi2 s GLU 77 Ca 0.27 1.36 -0.19 0.00 -0.41 0.00 0.00 54.97 55.99 1wi2 s GLU 77 Cb 0.01 -2.83 -0.08 0.00 -1.78 0.00 0.00 34.13 29.45 1wi2 s GLU 77 CO 0.10 0.27 1.31 1.25 -0.49 0.00 0.00 175.26 177.70 1wi2 h HIS 78 N 3.21 -0.84 -0.79 1.61 -0.00 -1.95 0.41 115.15 116.82 1wi2 h HIS 78 Ca -0.47 0.02 0.18 0.00 -0.00 0.00 0.00 60.37 60.11 1wi2 h HIS 78 Cb 1.19 0.35 -0.13 0.00 -0.00 0.00 0.00 27.41 28.82 1wi2 h HIS 78 CO 0.61 -0.34 0.04 1.03 -0.00 0.00 0.00 177.93 179.27 1wi2 h SER 79 N -0.45 -0.30 0.13 3.26 0.87 -1.98 0.22 113.55 115.31 1wi2 h SER 79 Ca -0.01 0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1wi2 h SER 79 Cb 0.44 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 1wi2 h SER 79 CO -0.13 -0.18 -0.27 0.50 -0.53 0.00 0.00 176.83 176.22 1wi2 h LYS 80 N 0.12 -0.47 -1.00 2.24 3.64 -1.74 0.78 116.57 120.13 1wi2 h LYS 80 Ca 0.44 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 60.03 1wi2 h LYS 80 Cb 0.80 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.62 1wi2 h LYS 80 CO -0.67 -0.31 0.62 0.00 -2.27 0.00 0.00 179.45 176.81 1wi2 h ALA 81 N 0.23 1.65 0.00 5.00 0.00 0.26 1.11 119.26 127.51 1wi2 h ALA 81 Ca 0.03 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1wi2 h ALA 81 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wi2 h ALA 81 CO -0.15 0.00 -0.37 0.28 0.00 0.00 0.00 179.25 179.02 1wi2 h VAL 82 N 0.81 0.86 0.12 0.00 2.07 0.73 -2.75 116.25 118.09 1wi2 h VAL 82 Ca 0.56 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1wi2 h VAL 82 Cb 0.82 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1wi2 h VAL 82 CO -0.36 0.36 -0.06 -0.08 0.02 0.00 0.00 177.57 177.46 1wi2 h GLU 83 N 0.00 -0.16 -0.78 1.57 4.81 0.75 -2.87 114.58 117.91 1wi2 h GLU 83 Ca -0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1wi2 h GLU 83 Cb 0.91 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.21 1wi2 h GLU 83 CO 0.05 -0.10 -0.48 0.82 -0.73 0.00 0.00 179.01 178.56 1wi2 h ILE 84 N -0.83 0.03 -0.23 2.32 2.04 0.25 0.21 117.51 121.30 1wi2 h ILE 84 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1wi2 h ILE 84 Cb 0.12 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.18 1wi2 h ILE 84 CO 0.03 0.00 -0.41 -0.07 0.00 0.00 0.00 178.15 177.70 1wi2 h LEU 85 N -0.13 -1.35 0.00 1.44 3.38 -1.63 0.53 115.31 117.55 1wi2 h LEU 85 Ca 0.20 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1wi2 h LEU 85 Cb 0.53 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1wi2 h LEU 85 CO -0.82 -0.32 0.00 0.29 0.09 0.00 0.00 178.44 177.68 1wi2 n LYS 86 N -4.68 0.00 0.00 1.13 5.02 -0.09 -2.79 118.16 116.76 1wi2 n LYS 86 Ca -0.03 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1wi2 n LYS 86 Cb 0.26 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1wi2 n LYS 86 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wi2 n THR 87 N -2.02 0.00 -1.31 -0.18 -2.24 0.54 -4.21 114.28 104.86 1wi2 n THR 87 Ca 0.00 1.39 -0.56 0.00 -2.27 0.00 0.00 64.05 62.60 1wi2 n THR 87 Cb 0.00 -1.86 -0.11 0.00 -2.10 0.00 0.00 70.33 66.26 1wi2 n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wi2 n ALA 88 N -2.75 0.44 -0.34 6.98 0.00 0.18 -4.74 120.51 120.29 1wi2 n ALA 88 Ca 0.00 0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.68 1wi2 n ALA 88 Cb 0.00 -2.22 0.36 0.00 0.00 0.00 0.00 19.45 17.60 1wi2 n ALA 88 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1wi2 h ARG 89 N 10.09 0.67 -5.13 0.00 0.11 -1.79 -3.38 114.38 114.95 1wi2 h ARG 89 Ca -0.14 -0.04 -0.66 0.00 0.10 0.00 0.00 59.98 59.24 1wi2 h ARG 89 Cb 1.39 -0.15 -0.34 0.00 1.11 0.00 0.00 29.97 31.98 1wi2 h ARG 89 CO 1.09 0.44 -0.86 -1.83 0.10 0.00 0.00 179.97 178.91 1wi2 s GLU 90 N -5.78 2.85 -0.23 0.08 -1.05 -1.26 -4.59 118.70 108.73 1wi2 s GLU 90 Ca -0.11 -0.80 -0.22 0.00 -0.15 0.00 0.00 54.97 53.70 1wi2 s GLU 90 Cb 0.25 -2.30 -0.02 0.00 -0.44 0.00 0.00 34.13 31.63 1wi2 s GLU 90 CO 0.80 0.01 0.70 0.42 0.95 0.00 0.00 175.26 178.13 1wi2 s ILE 91 N 0.77 4.95 -0.64 1.83 1.01 -1.26 -4.86 121.20 122.99 1wi2 s ILE 91 Ca -0.09 1.30 0.05 0.00 0.00 0.00 0.00 60.65 61.91 1wi2 s ILE 91 Cb -0.16 -4.00 0.18 0.00 0.01 0.00 0.00 42.46 38.50 1wi2 s ILE 91 CO -0.00 0.02 0.51 -0.24 0.00 0.00 0.00 174.94 175.23 1wi2 n SER 92 N 5.58 2.49 -4.84 3.58 2.88 -1.26 -2.26 113.62 119.79 1wi2 n SER 92 Ca 0.01 -3.10 -0.37 0.00 -1.33 0.00 0.00 58.87 54.09 1wi2 n SER 92 Cb 0.49 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 63.17 1wi2 n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wi2 s MET 93 N -1.37 3.65 -0.49 -1.46 0.23 -1.19 0.21 119.30 118.88 1wi2 s MET 93 Ca 0.29 -0.13 -0.16 0.00 -1.03 0.00 0.00 55.69 54.66 1wi2 s MET 93 Cb 0.01 -3.25 0.09 0.00 -1.53 0.00 0.00 34.83 30.14 1wi2 s MET 93 CO -0.15 0.65 0.43 0.50 -2.03 0.00 0.00 175.02 174.42 1wi2 s ARG 94 N -0.67 2.99 0.31 3.16 3.52 -0.51 -1.01 118.95 126.74 1wi2 s ARG 94 Ca 0.14 -1.41 0.07 0.00 -0.13 0.00 0.00 55.73 54.39 1wi2 s ARG 94 Cb -0.12 -4.17 -0.02 0.00 -1.56 0.00 0.00 34.95 29.08 1wi2 s ARG 94 CO 0.03 -1.11 0.37 0.14 -0.81 0.00 0.00 175.30 173.92 1wi2 s VAL 95 N 1.68 4.14 -0.22 7.11 -7.23 -0.58 -0.99 120.40 124.31 1wi2 s VAL 95 Ca 0.04 -1.15 -0.20 0.00 -1.81 0.00 0.00 61.98 58.86 1wi2 s VAL 95 Cb -0.25 -3.41 0.06 0.00 0.56 0.00 0.00 36.38 33.33 1wi2 s VAL 95 CO 0.06 -0.21 0.59 -0.60 -0.31 0.00 0.00 175.10 174.63 1wi2 s ARG 96 N -4.05 0.69 -0.44 4.82 3.52 -1.23 -0.91 118.95 121.35 1wi2 s ARG 96 Ca 0.41 0.85 -0.39 0.00 -0.13 0.00 0.00 55.73 56.46 1wi2 s ARG 96 Cb -0.08 0.32 -0.17 0.00 -1.56 0.00 0.00 34.95 33.46 1wi2 s ARG 96 CO 0.29 -0.09 1.70 1.19 -0.81 0.00 0.00 175.30 177.58 1wi2 n PHE 97 N 2.88 1.20 -2.60 5.12 3.72 -1.26 -4.38 117.46 122.14 1wi2 n PHE 97 Ca -0.14 0.79 -0.14 0.00 -0.05 0.00 0.00 57.45 57.91 1wi2 n PHE 97 Cb 0.56 -1.98 0.02 0.00 -0.94 0.00 0.00 39.48 37.14 1wi2 n PHE 97 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1wi2 n PHE 98 N 5.48 1.89 -1.65 1.38 7.35 -1.26 -5.04 117.46 125.61 1wi2 n PHE 98 Ca 0.41 -2.80 0.00 0.00 -0.76 0.00 0.00 57.45 54.29 1wi2 n PHE 98 Cb -0.04 -0.28 0.00 0.00 0.35 0.00 0.00 39.48 39.51 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1wi2 n SER 99 N -0.26 -8.71 -4.93 -2.13 7.64 -1.26 -4.90 113.62 99.08 1wi2 n SER 99 Ca 0.19 1.23 -0.29 0.00 1.01 0.00 0.00 58.87 61.02 1wi2 n SER 99 Cb 0.78 -4.64 -0.04 0.00 -1.01 0.00 0.00 64.21 59.31 1wi2 n SER 99 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wi2 s GLY 100 N -2.59 1.94 -0.32 0.23 0.00 -1.26 -4.82 107.32 100.51 1wi2 s GLY 100 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 44.72 43.52 1wi2 s GLY 100 CO 0.00 -0.90 1.35 2.56 0.00 0.00 0.00 173.10 176.12 1wi2 s PRO 101 N -2.91 3.83 -0.08 2.90 0.04 -1.26 -4.34 135.00 133.18 1wi2 s PRO 101 Ca 0.35 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.59 1wi2 s PRO 101 Cb -0.12 -3.92 0.01 0.00 0.04 0.00 0.00 34.50 30.50 1wi2 s PRO 101 CO 0.28 -1.23 0.04 0.45 0.04 0.00 0.00 177.00 176.58 1wi2 n SER 102 N 7.95 -6.16 -1.25 6.66 2.88 -1.26 -4.75 113.62 117.69 1wi2 n SER 102 Ca 0.15 0.91 0.15 0.00 -1.33 0.00 0.00 58.87 58.76 1wi2 n SER 102 Cb 0.47 -2.77 -0.08 0.00 -0.75 0.00 0.00 64.21 61.08 1wi2 n SER 102 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wi2 n SER 103 N 1.69 -6.78 0.00 -3.46 7.64 -1.26 -5.25 113.62 106.19 1wi2 n SER 103 Ca -0.07 1.27 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1wi2 n SER 103 Cb 0.28 -4.30 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 1wi2 n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64