#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 -7.88 -3.60 1.61 7.64 -1.26 -5.05 113.62 105.08 1wi2 n SER 2 Ca 0.00 1.07 0.02 0.00 1.01 0.00 0.00 58.87 60.97 1wi2 n SER 2 Cb 0.00 -5.06 -0.00 0.00 -1.01 0.00 0.00 64.21 58.14 1wi2 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wi2 s SER 3 N -1.89 -0.04 0.00 6.43 1.04 -1.26 -5.17 113.70 112.82 1wi2 s SER 3 Ca 0.09 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wi2 s SER 3 Cb -0.02 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1wi2 s SER 3 CO 0.74 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.38 1wi2 n GLY 4 N -0.50 2.56 0.00 7.32 0.00 -1.26 -5.15 105.19 108.16 1wi2 n GLY 4 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1wi2 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi2 n SER 5 N 0.00 0.00 -3.58 1.61 2.88 -1.26 -5.18 113.62 108.09 1wi2 n SER 5 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1wi2 n SER 5 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1wi2 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi2 s SER 6 N 0.00 -0.26 0.24 -3.46 0.15 -1.26 -5.17 113.70 103.93 1wi2 s SER 6 Ca 0.00 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1wi2 s SER 6 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1wi2 s SER 6 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1wi2 n GLY 7 N 0.38 -3.09 2.05 9.45 0.00 -1.26 -5.05 105.19 107.67 1wi2 n GLY 7 Ca -0.06 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1wi2 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wi2 n ASN 8 N -0.71 -0.99 0.04 1.61 4.13 -1.26 -5.08 115.26 113.00 1wi2 n ASN 8 Ca 0.00 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.67 1wi2 n ASN 8 Cb 0.00 1.08 0.00 0.00 -1.54 0.00 0.00 39.78 39.32 1wi2 n ASN 8 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1wi2 n ASN 9 N -3.13 -0.79 -2.54 6.41 5.15 -1.26 -5.11 115.26 113.99 1wi2 n ASN 9 Ca 0.00 0.30 -0.02 0.00 -0.60 0.00 0.00 54.58 54.27 1wi2 n ASN 9 Cb 0.00 0.97 -0.01 0.00 -0.53 0.00 0.00 39.78 40.21 1wi2 n ASN 9 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wi2 n GLU 10 N -2.64 -3.43 -2.23 1.20 1.02 -1.26 -4.94 120.64 108.36 1wi2 n GLU 10 Ca 0.00 2.73 -0.31 0.00 -0.02 0.00 0.00 57.16 59.56 1wi2 n GLU 10 Cb 0.00 -4.81 0.02 0.00 -0.02 0.00 0.00 31.44 26.62 1wi2 n GLU 10 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wi2 n LEU 11 N 0.90 5.75 -4.88 -4.62 4.77 -1.26 -5.03 117.00 112.63 1wi2 n LEU 11 Ca -0.12 -5.04 -0.30 0.00 -0.03 0.00 0.00 56.01 50.53 1wi2 n LEU 11 Cb 0.18 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 1wi2 n LEU 11 CO 0.39 2.05 0.48 0.42 -1.33 0.00 0.00 177.39 179.39 1wi2 s THR 12 N -5.31 4.81 0.00 -5.08 -4.23 -1.26 -4.92 115.64 99.64 1wi2 s THR 12 Ca 0.50 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 1wi2 s THR 12 Cb 0.42 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1wi2 s THR 12 CO -0.25 -0.68 0.00 1.67 -0.54 0.00 0.00 174.62 174.82 1wi2 n GLN 13 N -1.72 0.00 -0.24 3.99 -0.06 -1.26 -4.95 117.38 113.13 1wi2 n GLN 13 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 1wi2 n GLN 13 Cb 0.54 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.73 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.97 -0.20 0.00 0.00 177.06 178.83 1wi2 n PHE 14 N -1.85 0.00 -1.54 3.69 1.16 -1.26 -5.10 117.46 112.55 1wi2 n PHE 14 Ca 0.00 -0.04 -0.33 0.00 -1.87 0.00 0.00 57.45 55.21 1wi2 n PHE 14 Cb 0.00 -0.03 0.07 0.00 -1.61 0.00 0.00 39.48 37.91 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 -0.11 3.29 0.00 5.98 1.43 -1.26 -5.03 118.68 122.97 1wi2 s LEU 15 Ca 0.01 2.07 -0.04 0.00 -1.03 0.00 0.00 54.13 55.14 1wi2 s LEU 15 Cb 0.01 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.73 1wi2 s LEU 15 CO 0.00 -1.93 0.26 -0.81 0.23 0.00 0.00 176.35 174.10 1wi2 n PRO 16 N -2.76 -0.87 -4.02 1.29 -0.04 -1.26 -5.01 135.00 122.34 1wi2 n PRO 16 Ca 0.11 -0.41 -0.08 0.00 -0.04 0.00 0.00 63.50 63.07 1wi2 n PRO 16 Cb 0.52 -0.33 -0.10 0.00 -0.04 0.00 0.00 33.50 33.55 1wi2 n PRO 16 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wi2 s ARG 17 N -3.58 0.50 -0.35 0.54 3.03 -0.78 -5.02 118.95 113.28 1wi2 s ARG 17 Ca 0.16 -0.90 -0.07 0.00 2.03 0.00 0.00 55.73 56.94 1wi2 s ARG 17 Cb -0.01 0.18 0.04 0.00 -1.03 0.00 0.00 34.95 34.13 1wi2 s ARG 17 CO 0.12 -0.10 0.14 0.42 -1.13 0.00 0.00 175.30 174.75 1wi2 s ILE 18 N -2.77 3.95 -0.69 4.99 -1.09 -1.26 -1.73 121.20 122.60 1wi2 s ILE 18 Ca -0.04 -1.13 -0.19 0.00 -2.23 0.00 0.00 60.65 57.06 1wi2 s ILE 18 Cb -0.00 -3.26 0.11 0.00 -1.58 0.00 0.00 42.46 37.73 1wi2 s ILE 18 CO -0.06 -0.23 0.84 -0.69 -1.23 0.00 0.00 174.94 173.58 1wi2 s VAL 19 N 1.42 4.75 -0.10 2.92 1.01 -0.35 -4.96 120.40 125.09 1wi2 s VAL 19 Ca -0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 1wi2 s VAL 19 Cb -0.20 -4.59 -0.05 0.00 0.00 0.00 0.00 36.38 31.55 1wi2 s VAL 19 CO 0.03 -1.26 0.36 -0.89 0.00 0.00 0.00 175.10 173.33 1wi2 s THR 20 N 2.81 5.22 0.36 3.92 2.01 -1.26 -3.42 115.64 125.28 1wi2 s THR 20 Ca 0.18 0.70 0.06 0.00 0.31 0.00 0.00 61.69 62.94 1wi2 s THR 20 Cb -0.18 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 1wi2 s THR 20 CO 0.03 0.44 0.02 -0.76 -0.69 0.00 0.00 174.62 173.66 1wi2 s LEU 21 N -0.04 2.58 0.00 4.42 1.02 -1.04 -4.94 118.68 120.67 1wi2 s LEU 21 Ca 0.21 -1.35 0.11 0.00 0.02 0.00 0.00 54.13 53.12 1wi2 s LEU 21 Cb -0.14 -0.69 0.14 0.00 0.02 0.00 0.00 46.19 45.51 1wi2 s LEU 21 CO 0.08 -0.48 0.94 0.29 0.02 0.00 0.00 176.35 177.20 1wi2 n LYS 22 N -0.82 1.07 -1.27 1.70 5.02 -1.26 -3.36 118.16 119.25 1wi2 n LYS 22 Ca -0.04 -1.36 -0.49 0.00 -2.02 0.00 0.00 58.31 54.39 1wi2 n LYS 22 Cb 0.66 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 34.38 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 0.60 0.00 -1.52 1.97 3.00 -1.26 -4.88 118.16 116.06 1wi2 n LYS 23 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.09 1wi2 n LYS 23 Cb 0.31 -1.12 0.17 0.00 0.00 0.00 0.00 35.03 34.39 1wi2 n LYS 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1wi2 s PRO 24 N 1.70 0.43 0.46 1.64 0.04 -1.26 -4.57 135.00 133.44 1wi2 s PRO 24 Ca 0.76 0.03 0.28 0.00 0.04 0.00 0.00 61.00 62.11 1wi2 s PRO 24 Cb -1.08 -1.78 0.88 0.00 0.04 0.00 0.00 34.50 32.56 1wi2 s PRO 24 CO 0.57 -2.62 1.80 -1.00 0.04 0.00 0.00 177.00 175.78 1wi2 h PRO 25 N -1.80 0.00 -0.81 0.56 0.13 -1.84 -3.04 132.00 125.19 1wi2 h PRO 25 Ca -0.48 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.16 1wi2 h PRO 25 Cb 1.30 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.16 1wi2 h PRO 25 CO 0.49 0.00 0.38 0.41 -0.23 0.00 0.00 178.00 179.05 1wi2 n GLY 26 N 0.56 5.23 3.67 1.56 0.00 -1.26 -4.88 105.19 110.07 1wi2 n GLY 26 Ca 0.02 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 1wi2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wi2 s ALA 27 N -3.48 3.22 -1.18 4.61 0.00 -1.15 -5.01 121.76 118.77 1wi2 s ALA 27 Ca 0.56 -1.36 0.17 0.00 0.00 0.00 0.00 51.96 51.33 1wi2 s ALA 27 Cb 0.46 -1.02 0.68 0.00 0.00 0.00 0.00 23.12 23.25 1wi2 s ALA 27 CO 0.04 0.48 1.57 1.04 0.00 0.00 0.00 175.76 178.90 1wi2 n GLN 28 N -0.13 3.56 -1.34 0.00 6.02 -1.26 -4.96 117.38 119.27 1wi2 n GLN 28 Ca -0.10 -2.67 0.00 0.00 -0.01 0.00 0.00 57.00 54.22 1wi2 n GLN 28 Cb 0.55 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1wi2 n GLN 28 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wi2 n LEU 29 N 1.05 -3.08 -1.03 1.08 4.32 -1.26 -4.66 117.00 113.42 1wi2 n LEU 29 Ca 0.24 2.50 0.03 0.00 -0.02 0.00 0.00 56.01 58.75 1wi2 n LEU 29 Cb 0.84 -2.23 0.15 0.00 -1.62 0.00 0.00 43.42 40.57 1wi2 n LEU 29 CO 0.23 0.09 0.49 0.61 -1.22 0.00 0.00 177.39 177.59 1wi2 n GLY 30 N -0.54 2.05 3.58 -0.72 0.00 -1.26 -4.86 105.19 103.45 1wi2 n GLY 30 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.67 -0.28 0.23 1.61 -0.12 -1.26 0.18 117.98 116.68 1wi2 s PHE 31 Ca 0.21 0.09 0.11 0.00 -0.05 0.00 0.00 56.93 57.28 1wi2 s PHE 31 Cb 0.16 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 43.07 1wi2 s PHE 31 CO 0.06 -0.64 -0.15 -0.80 -0.05 0.00 0.00 175.22 173.64 1wi2 s ASN 32 N -2.64 3.88 0.14 1.98 0.01 0.36 -4.92 114.94 113.75 1wi2 s ASN 32 Ca 0.07 -0.82 0.08 0.00 -0.71 0.00 0.00 52.86 51.49 1wi2 s ASN 32 Cb -0.01 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.12 1wi2 s ASN 32 CO -0.05 0.07 -0.09 0.27 -1.51 0.00 0.00 177.10 175.78 1wi2 s ILE 33 N -2.08 3.33 0.09 0.60 -4.36 -1.26 0.30 121.20 117.81 1wi2 s ILE 33 Ca 0.27 -1.43 -0.11 0.00 -0.26 0.00 0.00 60.65 59.12 1wi2 s ILE 33 Cb -0.07 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 41.05 1wi2 s ILE 33 CO 0.15 0.01 0.26 0.00 0.24 0.00 0.00 174.94 175.59 1wi2 s ARG 34 N -2.50 0.89 0.00 0.37 1.70 -0.50 -4.70 118.95 114.21 1wi2 s ARG 34 Ca 0.23 -0.82 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 1wi2 s ARG 34 Cb -0.10 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 1wi2 s ARG 34 CO 0.15 -0.30 0.00 0.41 -1.08 0.00 0.00 175.30 174.47 1wi2 n GLY 35 N 0.01 -1.57 0.00 3.88 0.00 -1.26 -0.87 105.19 105.38 1wi2 n GLY 35 Ca -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.85 1.00 1.55 -0.02 0.00 0.38 -4.39 105.19 101.85 1wi2 n GLY 36 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1wi2 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wi2 n LYS 37 N 1.30 0.00 0.00 1.61 5.02 -1.25 -4.66 118.16 120.18 1wi2 n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wi2 n LYS 37 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wi2 n ALA 38 N -2.99 0.00 -0.15 7.82 0.00 -1.26 -4.56 120.51 119.37 1wi2 n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wi2 n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wi2 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wi2 n SER 39 N 0.00 0.00 0.00 0.00 2.88 -1.26 -4.77 113.62 110.47 1wi2 n SER 39 Ca 0.00 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1wi2 n SER 39 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 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 -2.65 0.00 -1.01 -1.46 6.02 -1.26 -5.13 117.38 111.88 1wi2 n GLN 40 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1wi2 n GLN 40 Cb 0.00 -0.04 0.04 0.00 1.02 0.00 0.00 30.24 31.26 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1wi2 n LEU 41 N -1.89 -5.45 0.00 1.08 7.94 -1.26 -4.83 117.00 112.59 1wi2 n LEU 41 Ca 0.00 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1wi2 n LEU 41 Cb 0.00 -0.80 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1wi2 n LEU 41 CO 0.00 -5.78 0.00 0.61 -1.11 0.00 0.00 177.39 171.11 1wi2 n GLY 42 N 3.28 5.45 3.89 -3.96 0.00 -1.25 -4.15 105.19 108.44 1wi2 n GLY 42 Ca -0.01 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1wi2 n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wi2 s ILE 43 N 1.14 5.33 -0.13 -0.61 -1.09 -1.00 0.14 121.20 124.99 1wi2 s ILE 43 Ca 0.00 -0.22 -0.13 0.00 -2.23 0.00 0.00 60.65 58.07 1wi2 s ILE 43 Cb 0.00 -3.50 0.03 0.00 -1.58 0.00 0.00 42.46 37.42 1wi2 s ILE 43 CO 0.00 0.31 0.36 -0.36 -1.23 0.00 0.00 174.94 174.02 1wi2 s PHE 44 N -1.33 -0.39 -0.44 3.97 0.08 -0.05 -1.99 117.98 117.83 1wi2 s PHE 44 Ca 0.27 0.94 -0.28 0.00 0.12 0.00 0.00 56.93 57.98 1wi2 s PHE 44 Cb -0.13 0.13 -0.08 0.00 -0.57 0.00 0.00 43.02 42.37 1wi2 s PHE 44 CO 0.19 -0.20 2.36 -0.89 -0.10 0.00 0.00 175.22 176.58 1wi2 n ILE 45 N 2.82 0.08 0.17 0.64 2.08 -0.92 -1.40 119.36 122.83 1wi2 n ILE 45 Ca -0.13 -0.56 -0.07 0.00 0.56 0.00 0.00 62.75 62.54 1wi2 n ILE 45 Cb 0.57 -2.36 -0.04 0.00 -0.75 0.00 0.00 39.64 37.07 1wi2 n ILE 45 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1wi2 h SER 46 N 16.63 -0.41 -4.52 4.38 4.64 -0.44 -3.25 113.55 130.58 1wi2 h SER 46 Ca -0.27 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.88 1wi2 h SER 46 Cb 1.27 0.11 -0.23 0.00 -0.31 0.00 0.00 62.40 63.24 1wi2 h SER 46 CO 1.10 -0.09 -0.66 -0.75 -0.87 0.00 0.00 176.83 175.57 1wi2 s LYS 47 N -3.20 0.24 -0.06 4.77 2.20 -1.09 -4.86 119.74 117.73 1wi2 s LYS 47 Ca -0.07 -0.33 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 1wi2 s LYS 47 Cb 0.01 0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.44 1wi2 s LYS 47 CO 0.21 -0.04 -0.09 0.08 -0.36 0.00 0.00 175.35 175.14 1wi2 s VAL 48 N -0.90 0.93 0.15 4.02 1.01 -1.26 0.14 120.40 124.48 1wi2 s VAL 48 Ca -0.10 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 1wi2 s VAL 48 Cb -0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.35 1wi2 s VAL 48 CO -0.00 0.31 1.50 -0.63 0.00 0.00 0.00 175.10 176.28 1wi2 s ILE 49 N 0.78 2.84 -0.43 2.22 -1.09 0.49 -4.85 121.20 121.16 1wi2 s ILE 49 Ca -0.13 0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 58.84 1wi2 s ILE 49 Cb -0.15 -3.39 -0.15 0.00 -1.58 0.00 0.00 42.46 37.19 1wi2 s ILE 49 CO 0.02 0.05 2.71 -0.81 -1.23 0.00 0.00 174.94 175.68 1wi2 n PRO 50 N 3.86 1.94 0.00 2.79 -0.04 -1.26 -2.64 135.00 139.65 1wi2 n PRO 50 Ca 0.13 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1wi2 n PRO 50 Cb 0.40 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1wi2 n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wi2 n ASP 51 N 3.09 0.00 -4.57 3.54 8.00 -1.26 -5.13 116.55 120.21 1wi2 n ASP 51 Ca 0.42 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.60 1wi2 n ASP 51 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.54 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wi2 n SER 52 N 0.00 3.32 -0.00 -2.24 3.41 -1.08 -5.02 113.62 112.00 1wi2 n SER 52 Ca 0.00 -3.15 -0.10 0.00 -0.26 0.00 0.00 58.87 55.36 1wi2 n SER 52 Cb 0.00 0.35 0.05 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.18 0.65 -0.29 4.04 5.19 -1.91 -2.84 116.42 122.44 1wi2 h ASP 53 Ca -0.41 -0.35 -0.06 0.00 -0.62 0.00 0.00 57.03 55.60 1wi2 h ASP 53 Cb 1.23 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 1wi2 h ASP 53 CO 0.67 1.07 -0.04 0.00 -3.12 0.00 0.00 179.24 177.82 1wi2 h ALA 54 N 0.95 0.40 -0.54 3.45 0.00 -1.92 0.79 119.26 122.39 1wi2 h ALA 54 Ca 0.01 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.81 1wi2 h ALA 54 Cb 1.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1wi2 h ALA 54 CO 0.10 0.18 0.39 1.25 0.00 0.00 0.00 179.25 181.18 1wi2 h HIS 55 N 0.31 0.03 0.00 0.00 6.17 -1.76 0.13 115.15 120.04 1wi2 h HIS 55 Ca 0.08 0.00 -0.30 0.00 0.71 0.00 0.00 60.37 60.86 1wi2 h HIS 55 Cb 0.50 -0.01 -0.05 0.00 2.52 0.00 0.00 27.41 30.37 1wi2 h HIS 55 CO 0.05 0.01 -1.81 0.54 0.71 0.00 0.00 177.93 177.43 1wi2 n ARG 56 N -4.38 0.64 0.14 5.26 1.74 -0.91 -3.96 116.66 115.19 1wi2 n ARG 56 Ca 0.10 0.24 0.04 0.00 -0.77 0.00 0.00 57.85 57.46 1wi2 n ARG 56 Cb 0.60 -1.75 0.46 0.00 -1.02 0.00 0.00 32.46 30.75 1wi2 n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wi2 h ALA 57 N 1.03 1.66 0.00 7.54 0.00 0.31 -3.46 119.26 126.35 1wi2 h ALA 57 Ca -0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wi2 h ALA 57 Cb 2.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1wi2 h ALA 57 CO 0.07 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1wi2 n GLY 58 N -1.12 1.56 3.83 0.00 0.00 -0.02 -4.97 105.19 104.46 1wi2 n GLY 58 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 4.48 -0.12 0.99 1.02 -0.33 -5.04 118.68 119.69 1wi2 s LEU 59 Ca 0.00 1.12 -0.10 0.00 0.02 0.00 0.00 54.13 55.17 1wi2 s LEU 59 Cb 0.00 -2.83 0.03 0.00 0.02 0.00 0.00 46.19 43.42 1wi2 s LEU 59 CO 0.00 0.27 0.31 0.00 0.02 0.00 0.00 176.35 176.95 1wi2 s GLN 60 N -1.22 0.35 -0.62 1.70 -2.07 -1.26 -4.64 119.66 111.90 1wi2 s GLN 60 Ca 0.28 0.45 -0.31 0.00 -1.82 0.00 0.00 55.36 53.96 1wi2 s GLN 60 Cb -0.18 0.15 -0.14 0.00 -1.09 0.00 0.00 33.01 31.75 1wi2 s GLN 60 CO 0.17 -0.06 2.43 0.39 -1.32 0.00 0.00 175.29 176.90 1wi2 n GLU 61 N 3.07 0.65 0.00 9.60 1.02 -1.26 -0.20 120.64 133.51 1wi2 n GLU 61 Ca -0.14 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1wi2 n GLU 61 Cb 0.57 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 6.41 1.24 3.64 0.62 0.00 -1.23 -4.43 105.19 111.44 1wi2 n GLY 62 Ca 0.49 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.50 6.35 0.40 1.61 1.11 0.72 -4.35 116.67 122.02 1wi2 s ASP 63 Ca 0.00 1.89 -0.23 0.00 0.18 0.00 0.00 52.55 54.38 1wi2 s ASP 63 Cb 0.00 -2.53 -0.10 0.00 1.07 0.00 0.00 42.92 41.36 1wi2 s ASP 63 CO 0.00 -1.24 1.00 -1.58 1.18 0.00 0.00 175.17 174.53 1wi2 s GLN 64 N 4.69 4.21 -0.51 8.23 0.74 -1.26 -2.16 119.66 133.60 1wi2 s GLN 64 Ca 0.77 1.36 -0.08 0.00 0.05 0.00 0.00 55.36 57.45 1wi2 s GLN 64 Cb -0.29 -2.44 0.13 0.00 1.10 0.00 0.00 33.01 31.51 1wi2 s GLN 64 CO 0.31 -0.07 0.38 0.08 -0.55 0.00 0.00 175.29 175.43 1wi2 s VAL 65 N -1.82 4.17 0.02 1.34 1.01 -0.84 -3.12 120.40 121.16 1wi2 s VAL 65 Ca 0.59 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 1wi2 s VAL 65 Cb -0.17 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1wi2 s VAL 65 CO 0.22 -0.80 1.20 -0.07 0.00 0.00 0.00 175.10 175.65 1wi2 h LEU 66 N 8.20 -0.49 -8.47 3.92 3.38 -0.86 -3.39 115.31 117.61 1wi2 h LEU 66 Ca -0.16 0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.58 1wi2 h LEU 66 Cb 1.05 0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 1wi2 h LEU 66 CO 0.82 -0.34 -0.70 0.00 0.09 0.00 0.00 178.44 178.31 1wi2 s ALA 67 N -4.25 1.05 -0.22 1.53 0.00 -1.22 0.05 121.76 118.69 1wi2 s ALA 67 Ca -0.08 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.50 1wi2 s ALA 67 Cb 0.01 0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1wi2 s ALA 67 CO 0.25 -0.19 0.07 0.08 0.00 0.00 0.00 175.76 175.97 1wi2 s VAL 68 N -3.43 0.41 -1.19 0.00 1.01 0.45 -0.22 120.40 117.43 1wi2 s VAL 68 Ca 0.11 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1wi2 s VAL 68 Cb 0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1wi2 s VAL 68 CO -0.03 -0.37 0.94 0.59 0.00 0.00 0.00 175.10 176.23 1wi2 n ASN 69 N 5.08 -2.77 0.00 3.32 3.02 -1.02 -2.30 115.26 120.59 1wi2 n ASN 69 Ca -0.07 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1wi2 n ASN 69 Cb 0.46 -4.96 0.00 0.00 -0.61 0.00 0.00 39.78 34.67 1wi2 n ASN 69 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wi2 n ASP 70 N -3.13 0.00 -4.67 6.41 -0.08 -1.26 -4.93 116.55 108.89 1wi2 n ASP 70 Ca -0.25 0.00 -0.48 0.00 -1.51 0.00 0.00 54.79 52.55 1wi2 n ASP 70 Cb 0.66 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.07 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 0.00 0.20 -2.05 5.18 0.31 -0.97 -4.92 118.33 116.08 1wi2 n VAL 71 Ca 0.00 -0.04 -0.34 0.00 -0.01 0.00 0.00 64.34 63.96 1wi2 n VAL 71 Cb 0.00 -1.54 0.02 0.00 -0.91 0.00 0.00 33.84 31.40 1wi2 n VAL 71 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wi2 s ASP 72 N 1.98 5.52 -0.12 4.52 2.15 -1.26 0.17 116.67 129.63 1wi2 s ASP 72 Ca 0.85 2.04 0.14 0.00 0.43 0.00 0.00 52.55 56.01 1wi2 s ASP 72 Cb -0.73 -2.56 0.29 0.00 -0.30 0.00 0.00 42.92 39.61 1wi2 s ASP 72 CO 0.45 -1.35 1.15 0.49 -0.17 0.00 0.00 175.17 175.73 1wi2 n PHE 73 N -1.83 0.00 0.06 -5.34 3.01 0.11 -4.69 117.46 108.78 1wi2 n PHE 73 Ca 0.11 -0.93 -0.05 0.00 1.01 0.00 0.00 57.45 57.58 1wi2 n PHE 73 Cb 0.52 -0.16 -0.10 0.00 -0.01 0.00 0.00 39.48 39.73 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 0.35 0.00 -1.75 -1.08 1.08 -1.78 -2.66 115.11 109.27 1wi2 h GLN 74 Ca -0.02 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.83 1wi2 h GLN 74 Cb 1.14 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 28.29 1wi2 h GLN 74 CO 0.01 0.79 -0.70 0.16 -0.95 0.00 0.00 178.83 178.14 1wi2 s ASP 75 N -6.51 0.39 0.08 1.46 -4.77 -1.26 -3.95 116.67 102.10 1wi2 s ASP 75 Ca 0.00 -1.96 -0.12 0.00 -3.30 0.00 0.00 52.55 47.17 1wi2 s ASP 75 Cb 0.09 0.73 0.02 0.00 -1.09 0.00 0.00 42.92 42.67 1wi2 s ASP 75 CO 0.81 -0.18 0.28 -0.51 0.70 0.00 0.00 175.17 176.27 1wi2 s ILE 76 N 0.96 0.10 0.46 2.11 2.07 -1.26 -4.88 121.20 120.75 1wi2 s ILE 76 Ca 0.24 -0.83 -0.23 0.00 -1.41 0.00 0.00 60.65 58.42 1wi2 s ILE 76 Cb -0.06 -1.12 -0.07 0.00 0.13 0.00 0.00 42.46 41.34 1wi2 s ILE 76 CO -0.08 -0.46 1.21 -1.61 -1.91 0.00 0.00 174.94 172.10 1wi2 s GLU 77 N -3.26 3.73 0.07 3.50 8.01 -1.26 -3.95 118.70 125.54 1wi2 s GLU 77 Ca 0.00 1.90 -0.24 0.00 0.01 0.00 0.00 54.97 56.64 1wi2 s GLU 77 Cb 0.02 -2.46 -0.16 0.00 -4.31 0.00 0.00 34.13 27.21 1wi2 s GLU 77 CO -0.08 -0.61 1.67 1.25 0.01 0.00 0.00 175.26 177.50 1wi2 h HIS 78 N 2.11 -0.09 -0.57 1.61 -0.00 -1.83 0.49 115.15 116.87 1wi2 h HIS 78 Ca -0.50 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 59.97 1wi2 h HIS 78 Cb 1.25 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.66 1wi2 h HIS 78 CO 0.52 -0.00 0.38 0.77 -0.00 0.00 0.00 177.93 179.60 1wi2 h SER 79 N -0.16 0.34 0.15 3.26 0.02 -1.97 -1.07 113.55 114.13 1wi2 h SER 79 Ca -0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1wi2 h SER 79 Cb 0.13 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1wi2 h SER 79 CO 0.02 0.21 -0.07 0.50 -1.14 0.00 0.00 176.83 176.34 1wi2 h LYS 80 N 0.38 -0.20 -0.74 3.45 3.64 -1.74 -0.55 116.57 120.81 1wi2 h LYS 80 Ca 0.26 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.82 1wi2 h LYS 80 Cb 0.52 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.28 1wi2 h LYS 80 CO -0.07 0.18 0.18 0.00 -2.27 0.00 0.00 179.45 177.47 1wi2 h ALA 81 N 0.11 0.96 0.59 5.00 0.00 -0.00 1.40 119.26 127.32 1wi2 h ALA 81 Ca -0.02 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1wi2 h ALA 81 Cb 0.47 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wi2 h ALA 81 CO 0.03 -0.35 -0.28 0.28 0.00 0.00 0.00 179.25 178.94 1wi2 h VAL 82 N 0.26 0.00 -0.52 0.00 2.07 -1.16 -2.15 116.25 114.75 1wi2 h VAL 82 Ca 0.42 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.99 1wi2 h VAL 82 Cb 0.73 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1wi2 h VAL 82 CO -0.52 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 176.56 1wi2 h GLU 83 N -0.84 -0.05 -0.75 1.57 3.07 -0.32 -0.03 114.58 117.23 1wi2 h GLU 83 Ca -0.08 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.90 1wi2 h GLU 83 Cb 0.60 0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 28.39 1wi2 h GLU 83 CO 0.13 -0.03 -0.36 0.82 -1.40 0.00 0.00 179.01 178.16 1wi2 h ILE 84 N -0.05 0.10 0.09 3.13 2.04 0.19 1.28 117.51 124.29 1wi2 h ILE 84 Ca 0.25 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.13 1wi2 h ILE 84 Cb 0.44 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1wi2 h ILE 84 CO -0.57 0.00 -0.22 -0.07 0.00 0.00 0.00 178.15 177.29 1wi2 h LEU 85 N -0.10 -0.62 0.21 1.44 3.38 -0.37 0.93 115.31 120.17 1wi2 h LEU 85 Ca 0.27 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1wi2 h LEU 85 Cb 0.57 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1wi2 h LEU 85 CO -0.80 -0.30 -0.45 0.11 0.09 0.00 0.00 178.44 177.09 1wi2 h LYS 86 N -0.40 -0.69 -0.05 1.13 1.57 0.77 0.15 116.57 119.05 1wi2 h LYS 86 Ca 0.03 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1wi2 h LYS 86 Cb 0.43 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1wi2 h LYS 86 CO -0.14 -0.46 0.14 1.79 -0.57 0.00 0.00 179.45 180.22 1wi2 h THR 87 N -0.71 0.17 -1.96 -0.16 1.35 0.17 -3.35 112.91 108.42 1wi2 h THR 87 Ca -0.02 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.22 1wi2 h THR 87 Cb 0.68 0.87 -0.12 0.00 -1.73 0.00 0.00 68.15 67.84 1wi2 h THR 87 CO -0.19 0.00 1.07 0.00 -0.25 0.00 0.00 175.52 176.16 1wi2 s ALA 88 N -4.30 2.96 0.34 6.62 0.00 0.32 -4.85 121.76 122.85 1wi2 s ALA 88 Ca -0.04 -2.15 0.15 0.00 0.00 0.00 0.00 51.96 49.91 1wi2 s ALA 88 Cb 0.13 -4.24 1.07 0.00 0.00 0.00 0.00 23.12 20.09 1wi2 s ALA 88 CO 0.42 -3.24 1.68 0.07 0.00 0.00 0.00 175.76 174.68 1wi2 h ARG 89 N 9.55 0.35 -4.77 0.00 -0.00 -1.75 -3.36 114.38 114.40 1wi2 h ARG 89 Ca 0.01 -0.02 -0.59 0.00 -0.00 0.00 0.00 59.98 59.38 1wi2 h ARG 89 Cb 1.03 -0.08 -0.34 0.00 -0.00 0.00 0.00 29.97 30.58 1wi2 h ARG 89 CO 1.27 0.23 -0.84 -1.83 -0.00 0.00 0.00 179.97 178.81 1wi2 s GLU 90 N -5.66 2.25 0.20 0.08 -1.05 -1.26 -4.57 118.70 108.69 1wi2 s GLU 90 Ca -0.10 -0.57 -0.24 0.00 -0.15 0.00 0.00 54.97 53.90 1wi2 s GLU 90 Cb 0.30 -1.90 -0.08 0.00 -0.44 0.00 0.00 34.13 32.00 1wi2 s GLU 90 CO 0.79 -0.05 0.79 0.42 0.95 0.00 0.00 175.26 178.16 1wi2 s ILE 91 N 0.96 4.38 -0.46 1.83 1.01 -1.21 -4.92 121.20 122.79 1wi2 s ILE 91 Ca -0.07 1.64 0.06 0.00 0.00 0.00 0.00 60.65 62.28 1wi2 s ILE 91 Cb -0.15 -4.07 0.31 0.00 0.01 0.00 0.00 42.46 38.56 1wi2 s ILE 91 CO -0.01 0.41 1.08 -0.24 0.00 0.00 0.00 174.94 176.19 1wi2 n SER 92 N 1.29 -2.37 -4.93 3.58 2.88 -1.26 -2.51 113.62 110.31 1wi2 n SER 92 Ca -0.04 -3.65 -0.25 0.00 -1.33 0.00 0.00 58.87 53.61 1wi2 n SER 92 Cb 0.49 1.88 -0.00 0.00 -0.75 0.00 0.00 64.21 65.83 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 0.28 3.37 -0.31 -1.46 0.23 -1.22 -2.43 119.30 117.76 1wi2 s MET 93 Ca 0.24 -0.22 -0.03 0.00 -1.03 0.00 0.00 55.69 54.65 1wi2 s MET 93 Cb 0.28 -2.54 0.04 0.00 -1.53 0.00 0.00 34.83 31.08 1wi2 s MET 93 CO -0.08 -0.09 0.03 0.50 -2.03 0.00 0.00 175.02 173.36 1wi2 s ARG 94 N -4.52 2.52 0.35 3.16 3.52 0.69 -1.22 118.95 123.45 1wi2 s ARG 94 Ca 0.45 -1.22 0.07 0.00 -0.13 0.00 0.00 55.73 54.90 1wi2 s ARG 94 Cb -0.10 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1wi2 s ARG 94 CO 0.39 -0.62 0.34 0.14 -0.81 0.00 0.00 175.30 174.74 1wi2 s VAL 95 N 1.31 3.48 -0.29 7.11 -7.23 -0.70 -0.14 120.40 123.94 1wi2 s VAL 95 Ca -0.04 -1.30 -0.15 0.00 -1.81 0.00 0.00 61.98 58.68 1wi2 s VAL 95 Cb -0.20 -3.19 0.12 0.00 0.56 0.00 0.00 36.38 33.67 1wi2 s VAL 95 CO 0.00 -0.14 0.80 -0.60 -0.31 0.00 0.00 175.10 174.85 1wi2 s ARG 96 N -4.05 0.55 -0.43 4.82 3.52 -1.18 -1.87 118.95 120.30 1wi2 s ARG 96 Ca 0.43 1.04 -0.43 0.00 -0.13 0.00 0.00 55.73 56.65 1wi2 s ARG 96 Cb -0.06 0.27 -0.18 0.00 -1.56 0.00 0.00 34.95 33.42 1wi2 s ARG 96 CO 0.28 -0.13 1.43 0.34 -0.81 0.00 0.00 175.30 176.41 1wi2 n PHE 97 N 4.39 1.55 -2.68 5.12 -0.00 -1.26 -4.01 117.46 120.56 1wi2 n PHE 97 Ca -0.17 1.04 -0.19 0.00 -0.00 0.00 0.00 57.45 58.13 1wi2 n PHE 97 Cb 0.56 -2.03 0.00 0.00 -0.00 0.00 0.00 39.48 38.02 1wi2 n PHE 97 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1wi2 n PHE 98 N 3.52 2.29 -2.95 -5.13 7.35 -1.26 -4.99 117.46 116.29 1wi2 n PHE 98 Ca 0.28 -3.18 -0.01 0.00 -0.76 0.00 0.00 57.45 53.77 1wi2 n PHE 98 Cb -0.05 -0.28 -0.01 0.00 0.35 0.00 0.00 39.48 39.49 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 -0.21 -5.90 -4.66 -2.13 7.64 -1.26 -4.95 113.62 102.15 1wi2 n SER 99 Ca 0.25 0.96 -0.27 0.00 1.01 0.00 0.00 58.87 60.83 1wi2 n SER 99 Cb 0.69 -2.95 -0.08 0.00 -1.01 0.00 0.00 64.21 60.86 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 -0.69 1.74 0.77 0.23 0.00 -1.26 -5.03 107.32 103.08 1wi2 s GLY 100 Ca -0.06 -1.35 -0.13 0.00 0.00 0.00 0.00 44.72 43.18 1wi2 s GLY 100 CO 0.29 -1.37 0.85 -1.55 0.00 0.00 0.00 173.10 171.33 1wi2 n PRO 101 N -0.06 -1.68 -0.03 2.90 -0.04 -1.26 -5.06 135.00 129.77 1wi2 n PRO 101 Ca -0.10 -1.33 -0.06 0.00 -0.04 0.00 0.00 63.50 61.97 1wi2 n PRO 101 Cb 0.55 -1.05 -0.02 0.00 -0.04 0.00 0.00 33.50 32.94 1wi2 n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wi2 n SER 102 N -3.94 1.55 0.00 3.54 2.88 -1.26 -4.82 113.62 111.56 1wi2 n SER 102 Ca 0.11 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1wi2 n SER 102 Cb 0.41 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 -4.02 1.20 0.00 -3.46 7.64 -1.26 -5.12 113.62 108.61 1wi2 n SER 103 Ca -0.10 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.41 1wi2 n SER 103 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1wi2 n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64