#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi2 s SER 2 N 0.00 5.64 -0.25 1.61 0.01 -1.26 -5.13 113.70 114.32 1wi2 s SER 2 Ca 0.00 -0.35 -0.25 0.00 1.31 0.00 0.00 55.95 56.67 1wi2 s SER 2 Cb 0.00 -0.74 0.07 0.00 0.21 0.00 0.00 66.02 65.56 1wi2 s SER 2 CO 0.00 -0.78 0.71 -0.55 0.41 0.00 0.00 173.24 173.03 1wi2 s SER 3 N -4.34 -0.73 -0.29 2.44 0.15 -1.26 -5.16 113.70 104.50 1wi2 s SER 3 Ca 0.54 1.39 -0.14 0.00 0.70 0.00 0.00 55.95 58.44 1wi2 s SER 3 Cb -0.10 1.40 0.14 0.00 -1.71 0.00 0.00 66.02 65.74 1wi2 s SER 3 CO 0.34 -0.27 0.82 -0.83 1.20 0.00 0.00 173.24 174.50 1wi2 s GLY 4 N 0.29 -0.42 -0.19 9.45 0.00 -1.26 -5.17 107.32 110.02 1wi2 s GLY 4 Ca -0.01 2.72 -0.35 0.00 0.00 0.00 0.00 44.72 47.08 1wi2 s GLY 4 CO 0.01 2.93 1.37 -0.45 0.00 0.00 0.00 173.10 176.96 1wi2 s SER 5 N 2.27 -0.03 0.27 1.64 0.15 -1.26 -5.14 113.70 111.60 1wi2 s SER 5 Ca -0.06 -0.02 -0.26 0.00 0.70 0.00 0.00 55.95 56.31 1wi2 s SER 5 Cb -0.07 0.05 -0.16 0.00 -1.71 0.00 0.00 66.02 64.12 1wi2 s SER 5 CO -0.18 -0.08 0.51 -1.20 1.20 0.00 0.00 173.24 173.49 1wi2 n SER 6 N -0.22 -1.14 0.00 5.45 7.64 -1.26 -4.61 113.62 119.48 1wi2 n SER 6 Ca -0.01 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1wi2 n SER 6 Cb 0.60 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1wi2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi2 n GLY 7 N 1.93 -1.76 1.42 0.23 0.00 -1.26 -5.16 105.19 100.58 1wi2 n GLY 7 Ca 0.15 0.60 0.17 0.00 0.00 0.00 0.00 46.02 46.94 1wi2 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wi2 n ASN 8 N 0.00 -7.99 -3.98 1.61 5.15 -1.26 -4.95 115.26 103.83 1wi2 n ASN 8 Ca 0.00 1.15 -0.17 0.00 -0.60 0.00 0.00 54.58 54.96 1wi2 n ASN 8 Cb 0.00 -4.69 -0.14 0.00 -0.53 0.00 0.00 39.78 34.42 1wi2 n ASN 8 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1wi2 s ASN 9 N -7.08 0.77 0.05 1.20 0.01 -1.26 -5.02 114.94 103.61 1wi2 s ASN 9 Ca 0.00 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 1wi2 s ASN 9 Cb 0.00 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.58 1wi2 s ASN 9 CO 0.00 0.08 0.00 -0.62 -1.51 0.00 0.00 177.10 175.05 1wi2 n GLU 10 N 2.89 -4.29 -3.29 -0.60 1.02 -1.26 -4.99 120.64 110.12 1wi2 n GLU 10 Ca -0.13 3.19 -0.25 0.00 -0.02 0.00 0.00 57.16 59.95 1wi2 n GLU 10 Cb 0.58 -3.84 -0.08 0.00 -0.02 0.00 0.00 31.44 28.08 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 1.50 0.98 -4.94 -4.62 4.77 -1.26 -5.11 117.00 108.32 1wi2 n LEU 11 Ca 0.00 -4.84 -0.25 0.00 -0.03 0.00 0.00 56.01 50.90 1wi2 n LEU 11 Cb 0.00 0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1wi2 n LEU 11 CO 0.00 2.03 0.40 0.28 -1.33 0.00 0.00 177.39 178.77 1wi2 s THR 12 N -1.34 3.89 0.00 -5.08 -1.32 -1.26 -4.96 115.64 105.58 1wi2 s THR 12 Ca 0.35 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1wi2 s THR 12 Cb 0.14 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 1wi2 s THR 12 CO -0.10 -0.41 0.00 0.00 -2.21 0.00 0.00 174.62 171.90 1wi2 n GLN 13 N -2.30 0.00 -2.68 7.08 0.00 -1.26 -5.00 117.38 113.22 1wi2 n GLN 13 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 57.00 56.97 1wi2 n GLN 13 Cb 0.57 0.00 0.12 0.00 0.00 0.00 0.00 30.24 30.93 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1wi2 n PHE 14 N -1.38 -2.30 -3.53 2.61 3.72 -1.26 -5.14 117.46 110.18 1wi2 n PHE 14 Ca 0.00 -1.82 -0.29 0.00 -0.05 0.00 0.00 57.45 55.29 1wi2 n PHE 14 Cb 0.00 1.58 -0.04 0.00 -0.94 0.00 0.00 39.48 40.08 1wi2 n PHE 14 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wi2 s LEU 15 N -3.41 4.17 0.81 4.37 1.43 -1.26 -5.09 118.68 119.70 1wi2 s LEU 15 Ca 0.18 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 1wi2 s LEU 15 Cb 0.40 -3.39 0.08 0.00 0.03 0.00 0.00 46.19 43.31 1wi2 s LEU 15 CO -0.10 -0.08 1.10 -2.16 0.23 0.00 0.00 176.35 175.34 1wi2 s PRO 16 N -3.18 1.99 0.68 1.29 0.04 -1.26 -5.05 135.00 129.51 1wi2 s PRO 16 Ca 0.42 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 1wi2 s PRO 16 Cb -0.11 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1wi2 s PRO 16 CO 0.27 -1.68 1.07 -0.98 0.04 0.00 0.00 177.00 175.72 1wi2 s ARG 17 N -5.16 2.93 -0.26 4.56 1.70 0.91 -4.79 118.95 118.84 1wi2 s ARG 17 Ca 0.61 0.42 -0.03 0.00 -0.47 0.00 0.00 55.73 56.26 1wi2 s ARG 17 Cb -0.14 -2.06 0.02 0.00 -0.57 0.00 0.00 34.95 32.20 1wi2 s ARG 17 CO 0.54 -0.95 -0.03 0.42 -1.08 0.00 0.00 175.30 174.20 1wi2 s ILE 18 N -3.30 3.13 -0.63 4.99 -1.09 -1.26 -1.25 121.20 121.80 1wi2 s ILE 18 Ca 0.57 -0.93 -0.13 0.00 -2.23 0.00 0.00 60.65 57.93 1wi2 s ILE 18 Cb -0.11 -2.59 0.16 0.00 -1.58 0.00 0.00 42.46 38.34 1wi2 s ILE 18 CO 0.51 0.18 0.56 -0.69 -1.23 0.00 0.00 174.94 174.27 1wi2 s VAL 19 N 1.37 5.09 -0.11 2.92 1.01 -0.62 -5.00 120.40 125.05 1wi2 s VAL 19 Ca 0.01 -1.96 -0.12 0.00 0.00 0.00 0.00 61.98 59.91 1wi2 s VAL 19 Cb -0.17 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1wi2 s VAL 19 CO -0.03 -0.91 0.27 -0.89 0.00 0.00 0.00 175.10 173.55 1wi2 s THR 20 N 0.98 5.30 0.35 3.92 2.01 -1.26 -3.56 115.64 123.38 1wi2 s THR 20 Ca 0.09 0.51 0.07 0.00 0.31 0.00 0.00 61.69 62.67 1wi2 s THR 20 Cb -0.22 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 1wi2 s THR 20 CO -0.02 0.50 0.43 -0.76 -0.69 0.00 0.00 174.62 174.08 1wi2 s LEU 21 N -0.30 3.79 0.00 4.42 1.02 -0.63 -4.85 118.68 122.13 1wi2 s LEU 21 Ca 0.17 -0.34 0.09 0.00 0.02 0.00 0.00 54.13 54.08 1wi2 s LEU 21 Cb -0.14 -2.56 0.19 0.00 0.02 0.00 0.00 46.19 43.71 1wi2 s LEU 21 CO 0.06 -0.47 1.07 0.29 0.02 0.00 0.00 176.35 177.31 1wi2 n LYS 22 N -1.60 1.97 -1.15 1.70 4.76 -1.26 -4.54 118.16 118.04 1wi2 n LYS 22 Ca 0.01 -1.65 -0.45 0.00 -2.87 0.00 0.00 58.31 53.36 1wi2 n LYS 22 Cb 0.59 -1.21 -0.07 0.00 -1.84 0.00 0.00 35.03 32.50 1wi2 n LYS 22 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wi2 n LYS 23 N 0.43 0.00 -1.56 1.97 4.81 -1.26 -4.86 118.16 117.69 1wi2 n LYS 23 Ca 0.08 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.22 1wi2 n LYS 23 Cb 0.34 -1.01 0.08 0.00 0.02 0.00 0.00 35.03 34.47 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 2.20 -0.81 1.64 0.04 -1.26 -4.82 135.00 133.73 1wi2 s PRO 24 Ca 0.69 0.68 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 1wi2 s PRO 24 Cb -0.99 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 31.51 1wi2 s PRO 24 CO 0.53 -1.55 2.59 -0.35 0.04 0.00 0.00 177.00 178.26 1wi2 n PRO 25 N -3.39 2.34 0.00 0.56 -0.04 -1.26 -2.82 135.00 130.39 1wi2 n PRO 25 Ca 0.07 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1wi2 n PRO 25 Cb 0.56 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 3.33 0.00 1.76 0.55 0.00 -1.26 -5.17 105.19 104.40 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 0.32 -2.59 4.61 0.00 -1.13 -5.17 120.51 116.55 1wi2 n ALA 27 Ca 0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 53.44 52.12 1wi2 n ALA 27 Cb 0.00 0.76 -0.08 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.80 2.21 0.00 0.00 -0.21 -1.26 -4.99 119.66 112.62 1wi2 s GLN 28 Ca 0.13 -1.53 0.00 0.00 0.02 0.00 0.00 55.36 53.98 1wi2 s GLN 28 Cb 0.01 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.93 1wi2 s GLN 28 CO 0.09 0.28 0.28 1.28 -2.12 0.00 0.00 175.29 175.10 1wi2 n LEU 29 N -0.92 0.00 0.00 2.90 4.32 -1.26 -4.90 117.00 117.14 1wi2 n LEU 29 Ca -0.05 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 1wi2 n LEU 29 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1wi2 n LEU 29 CO 0.41 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 1wi2 n GLY 30 N -0.38 1.62 3.48 -0.72 0.00 -1.26 -4.53 105.19 103.39 1wi2 n GLY 30 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.45 -0.08 1.61 -0.71 -1.26 0.20 117.98 115.29 1wi2 s PHE 31 Ca 0.00 0.37 -0.00 0.00 -1.04 0.00 0.00 56.93 56.26 1wi2 s PHE 31 Cb 0.00 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 1wi2 s PHE 31 CO 0.00 -0.64 -0.04 -0.80 -1.34 0.00 0.00 175.22 172.39 1wi2 s ASN 32 N -2.35 4.87 -0.15 1.98 0.01 0.29 -4.92 114.94 114.67 1wi2 s ASN 32 Ca 0.02 0.04 -0.05 0.00 -0.71 0.00 0.00 52.86 52.16 1wi2 s ASN 32 Cb -0.01 -1.31 -0.03 0.00 0.41 0.00 0.00 41.25 40.31 1wi2 s ASN 32 CO -0.08 0.36 0.01 0.27 -1.51 0.00 0.00 177.10 176.16 1wi2 s ILE 33 N -0.79 4.37 0.31 0.60 -4.36 -1.26 0.64 121.20 120.71 1wi2 s ILE 33 Ca 0.12 -0.20 0.03 0.00 -0.26 0.00 0.00 60.65 60.34 1wi2 s ILE 33 Cb -0.11 -2.91 -0.06 0.00 1.25 0.00 0.00 42.46 40.63 1wi2 s ILE 33 CO 0.02 0.52 0.07 0.00 0.24 0.00 0.00 174.94 175.79 1wi2 s ARG 34 N -0.01 1.61 0.00 0.37 1.70 -0.45 -4.79 118.95 117.39 1wi2 s ARG 34 Ca 0.03 -1.90 0.00 0.00 -0.47 0.00 0.00 55.73 53.40 1wi2 s ARG 34 Cb -0.13 -0.70 0.00 0.00 -0.57 0.00 0.00 34.95 33.55 1wi2 s ARG 34 CO 0.02 -0.24 0.00 0.41 -1.08 0.00 0.00 175.30 174.41 1wi2 n GLY 35 N -0.65 0.13 3.40 3.88 0.00 -1.26 -0.18 105.19 110.51 1wi2 n GLY 35 Ca -0.02 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 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 0.18 0.12 -0.02 0.00 -0.75 -4.82 105.19 99.90 1wi2 n GLY 36 Ca 0.00 1.07 -0.25 0.00 0.00 0.00 0.00 46.02 46.84 1wi2 n GLY 36 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wi2 n LYS 37 N -0.10 0.58 0.00 1.61 2.85 -1.26 -4.66 118.16 117.18 1wi2 n LYS 37 Ca -0.08 0.44 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 1wi2 n LYS 37 Cb 0.65 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wi2 n ALA 38 N -3.73 0.00 -1.13 0.58 0.00 -1.26 -5.00 120.51 109.97 1wi2 n ALA 38 Ca -0.41 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 1wi2 n ALA 38 Cb 0.78 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.39 6.72 0.00 0.00 2.88 -1.26 -4.81 113.62 115.76 1wi2 n SER 39 Ca 0.00 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1wi2 n SER 39 Cb 0.00 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 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 4.17 0.00 0.00 -1.46 6.02 -1.26 -4.88 117.38 119.97 1wi2 n GLN 40 Ca 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 1wi2 n GLN 40 Cb 0.22 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.48 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 0.00 0.00 -3.83 1.08 7.94 -1.26 -4.42 117.00 116.51 1wi2 n LEU 41 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 1wi2 n LEU 41 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1wi2 n LEU 41 CO 0.00 -0.13 0.57 -0.83 -1.11 0.00 0.00 177.39 175.89 1wi2 s GLY 42 N -2.05 0.08 0.19 -3.96 0.00 -1.24 -4.46 107.32 95.89 1wi2 s GLY 42 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 44.72 44.18 1wi2 s GLY 42 CO 0.00 0.12 0.57 -0.42 0.00 0.00 0.00 173.10 173.37 1wi2 s ILE 43 N -3.05 4.86 0.12 0.90 -1.09 -0.99 -1.81 121.20 120.14 1wi2 s ILE 43 Ca 0.14 0.73 -0.11 0.00 -2.23 0.00 0.00 60.65 59.18 1wi2 s ILE 43 Cb -0.05 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1wi2 s ILE 43 CO 0.08 0.09 0.29 -0.36 -1.23 0.00 0.00 174.94 173.80 1wi2 s PHE 44 N -1.64 0.08 -0.76 3.97 0.40 0.75 -1.59 117.98 119.19 1wi2 s PHE 44 Ca 0.43 -0.47 -0.26 0.00 -0.60 0.00 0.00 56.93 56.03 1wi2 s PHE 44 Cb -0.13 0.06 0.01 0.00 0.51 0.00 0.00 43.02 43.47 1wi2 s PHE 44 CO 0.20 -0.64 1.53 0.42 0.70 0.00 0.00 175.22 177.42 1wi2 s ILE 45 N -3.87 3.62 0.04 0.64 -1.09 -1.20 -1.34 121.20 118.01 1wi2 s ILE 45 Ca 0.07 0.11 -0.22 0.00 -2.23 0.00 0.00 60.65 58.38 1wi2 s ILE 45 Cb 0.03 -4.58 -0.12 0.00 -1.58 0.00 0.00 42.46 36.22 1wi2 s ILE 45 CO -0.09 -1.52 1.33 0.77 -1.23 0.00 0.00 174.94 174.20 1wi2 h SER 46 N 11.51 -0.73 -5.04 3.58 4.64 -0.11 -3.35 113.55 124.06 1wi2 h SER 46 Ca -0.17 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 1wi2 h SER 46 Cb 1.07 0.21 -0.19 0.00 -0.31 0.00 0.00 62.40 63.18 1wi2 h SER 46 CO 1.28 -0.46 -0.43 -0.75 -0.87 0.00 0.00 176.83 175.60 1wi2 s LYS 47 N -4.73 0.62 -0.05 4.77 2.36 -0.77 -4.86 119.74 117.08 1wi2 s LYS 47 Ca -0.11 -0.54 0.03 0.00 -2.55 0.00 0.00 55.97 52.80 1wi2 s LYS 47 Cb 0.02 0.26 0.01 0.00 -1.05 0.00 0.00 37.83 37.06 1wi2 s LYS 47 CO 0.35 -0.17 -0.11 0.08 1.55 0.00 0.00 175.35 177.05 1wi2 s VAL 48 N -2.10 1.02 0.05 4.02 1.01 -1.26 0.10 120.40 123.24 1wi2 s VAL 48 Ca -0.09 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1wi2 s VAL 48 Cb -0.03 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.35 1wi2 s VAL 48 CO -0.02 0.32 1.59 -0.63 0.00 0.00 0.00 175.10 176.37 1wi2 s ILE 49 N 0.40 3.20 -0.75 2.22 -1.09 0.52 -4.86 121.20 120.85 1wi2 s ILE 49 Ca -0.08 0.63 -0.06 0.00 -2.23 0.00 0.00 60.65 58.90 1wi2 s ILE 49 Cb -0.12 -3.40 -0.12 0.00 -1.58 0.00 0.00 42.46 37.23 1wi2 s ILE 49 CO 0.02 -0.00 2.63 -0.81 -1.23 0.00 0.00 174.94 175.55 1wi2 n PRO 50 N 5.56 2.29 0.00 2.79 -0.04 -1.26 -2.67 135.00 141.67 1wi2 n PRO 50 Ca 0.15 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1wi2 n PRO 50 Cb 0.41 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.42 0.00 -1.77 3.54 8.00 -1.26 -5.13 116.55 123.34 1wi2 n ASP 51 Ca 0.49 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.98 1wi2 n ASP 51 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 1.44 0.10 -2.24 3.41 -1.09 -5.04 113.62 110.20 1wi2 n SER 52 Ca 0.00 -1.05 -0.21 0.00 -0.26 0.00 0.00 58.87 57.35 1wi2 n SER 52 Cb 0.00 0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 63.84 1wi2 n SER 52 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1wi2 h ASP 53 N 0.03 0.79 -0.41 4.04 3.58 -1.89 -3.23 116.42 119.33 1wi2 h ASP 53 Ca -0.01 -0.76 -0.01 0.00 0.42 0.00 0.00 57.03 56.67 1wi2 h ASP 53 Cb 0.03 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1wi2 h ASP 53 CO 0.01 1.57 0.21 0.00 -2.88 0.00 0.00 179.24 178.15 1wi2 h ALA 54 N 0.34 0.52 -0.80 -0.78 0.00 -1.89 1.34 119.26 117.99 1wi2 h ALA 54 Ca -0.19 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.81 1wi2 h ALA 54 Cb 1.95 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.47 1wi2 h ALA 54 CO 0.24 0.07 0.25 1.25 0.00 0.00 0.00 179.25 181.06 1wi2 h HIS 55 N 0.52 0.41 0.22 0.00 -0.00 -1.76 -0.51 115.15 114.02 1wi2 h HIS 55 Ca 0.14 0.04 -0.32 0.00 -0.00 0.00 0.00 60.37 60.24 1wi2 h HIS 55 Cb 0.09 -0.05 0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1wi2 h HIS 55 CO -0.02 -0.08 -1.45 0.00 -0.00 0.00 0.00 177.93 176.39 1wi2 h ARG 56 N 0.32 0.46 -1.57 5.26 -0.00 -1.44 -3.27 114.38 114.13 1wi2 h ARG 56 Ca 0.47 -0.79 0.46 0.00 -0.50 0.00 0.00 59.98 59.62 1wi2 h ARG 56 Cb 0.85 0.29 -0.08 0.00 0.00 0.00 0.00 29.97 31.03 1wi2 h ARG 56 CO -0.53 1.38 1.11 0.00 0.00 0.00 0.00 179.97 181.94 1wi2 h ALA 57 N 0.12 3.38 0.00 0.04 0.00 0.33 -3.42 119.26 119.71 1wi2 h ALA 57 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wi2 h ALA 57 Cb 2.06 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.98 1wi2 h ALA 57 CO 0.23 -1.88 0.00 0.41 0.00 0.00 0.00 179.25 178.01 1wi2 n GLY 58 N -1.79 2.00 3.89 0.00 0.00 -0.56 -4.77 105.19 103.96 1wi2 n GLY 58 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 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 4.15 -0.17 0.99 1.43 -0.44 -5.05 118.68 119.59 1wi2 s LEU 59 Ca 0.00 0.75 -0.28 0.00 -1.03 0.00 0.00 54.13 53.56 1wi2 s LEU 59 Cb 0.00 -3.52 0.09 0.00 0.03 0.00 0.00 46.19 42.79 1wi2 s LEU 59 CO 0.00 -0.09 0.82 0.00 0.23 0.00 0.00 176.35 177.31 1wi2 s GLN 60 N -3.08 0.81 -0.47 1.70 -2.07 -1.26 -4.65 119.66 110.63 1wi2 s GLN 60 Ca 0.44 0.49 -0.28 0.00 -1.82 0.00 0.00 55.36 54.19 1wi2 s GLN 60 Cb -0.11 0.39 -0.09 0.00 -1.09 0.00 0.00 33.01 32.10 1wi2 s GLN 60 CO 0.26 -0.19 2.38 0.39 -1.32 0.00 0.00 175.29 176.80 1wi2 n GLU 61 N 1.56 1.11 0.00 9.60 1.02 -1.26 -3.03 120.64 129.65 1wi2 n GLU 61 Ca -0.15 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1wi2 n GLU 61 Cb 0.56 -3.05 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 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 6.10 0.69 2.72 0.62 0.00 -1.26 -4.82 105.19 109.24 1wi2 n GLY 62 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.84 3.97 0.13 1.61 1.01 -1.17 -4.71 116.67 116.67 1wi2 s ASP 63 Ca 0.00 -1.59 -0.31 0.00 0.71 0.00 0.00 52.55 51.36 1wi2 s ASP 63 Cb 0.00 -0.82 -0.09 0.00 1.01 0.00 0.00 42.92 43.02 1wi2 s ASP 63 CO 0.00 -0.42 1.53 -1.58 0.21 0.00 0.00 175.17 174.92 1wi2 s GLN 64 N 1.66 4.24 -0.49 8.23 0.74 -1.26 -3.21 119.66 129.58 1wi2 s GLN 64 Ca 0.09 2.26 -0.22 0.00 0.05 0.00 0.00 55.36 57.54 1wi2 s GLN 64 Cb -0.17 -3.28 0.04 0.00 1.10 0.00 0.00 33.01 30.69 1wi2 s GLN 64 CO -0.26 -0.59 0.79 0.08 -0.55 0.00 0.00 175.29 174.76 1wi2 s VAL 65 N 1.48 4.63 -0.00 1.34 1.01 -0.62 -3.24 120.40 125.00 1wi2 s VAL 65 Ca 0.69 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 1wi2 s VAL 65 Cb -0.41 -4.37 -0.10 0.00 0.00 0.00 0.00 36.38 31.50 1wi2 s VAL 65 CO 0.31 -0.85 0.88 -0.07 0.00 0.00 0.00 175.10 175.37 1wi2 h LEU 66 N 10.26 -0.54 -8.24 3.92 -0.00 0.45 -3.40 115.31 117.76 1wi2 h LEU 66 Ca -0.26 0.02 -0.13 0.00 -0.00 0.00 0.00 57.88 57.51 1wi2 h LEU 66 Cb 1.08 0.14 -0.15 0.00 -0.00 0.00 0.00 40.66 41.74 1wi2 h LEU 66 CO 0.99 -0.24 -0.63 0.00 -0.00 0.00 0.00 178.44 178.56 1wi2 s ALA 67 N -4.27 0.51 -0.24 1.53 0.00 -1.23 -0.65 121.76 117.41 1wi2 s ALA 67 Ca -0.09 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 1wi2 s ALA 67 Cb 0.01 0.46 0.08 0.00 0.00 0.00 0.00 23.12 23.67 1wi2 s ALA 67 CO 0.28 -0.42 0.08 0.08 0.00 0.00 0.00 175.76 175.78 1wi2 s VAL 68 N -3.95 0.40 -1.09 0.00 1.01 0.51 0.15 120.40 117.44 1wi2 s VAL 68 Ca 0.11 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1wi2 s VAL 68 Cb 0.07 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1wi2 s VAL 68 CO -0.07 -0.44 0.92 0.59 0.00 0.00 0.00 175.10 176.10 1wi2 n ASN 69 N 5.08 -3.04 0.00 3.32 3.02 -1.00 -2.55 115.26 120.08 1wi2 n ASN 69 Ca -0.06 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1wi2 n ASN 69 Cb 0.45 -4.84 0.00 0.00 -0.61 0.00 0.00 39.78 34.78 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 -3.02 0.00 -4.66 6.41 -0.08 -1.26 -4.94 116.55 109.01 1wi2 n ASP 70 Ca -0.22 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 52.60 1wi2 n ASP 70 Cb 0.65 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.08 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 0.89 -2.25 5.18 0.31 -1.06 -4.93 118.33 116.47 1wi2 n VAL 71 Ca 0.00 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.78 1wi2 n VAL 71 Cb 0.00 -1.38 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 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 0.28 6.31 -0.02 4.52 1.11 -1.26 0.19 116.67 127.79 1wi2 s ASP 72 Ca 0.69 1.65 0.03 0.00 0.18 0.00 0.00 52.55 55.11 1wi2 s ASP 72 Cb -0.68 -2.52 0.05 0.00 1.07 0.00 0.00 42.92 40.84 1wi2 s ASP 72 CO 0.49 -0.80 0.91 0.49 1.18 0.00 0.00 175.17 177.44 1wi2 n PHE 73 N -1.79 0.00 0.18 4.23 3.01 0.18 -4.70 117.46 118.57 1wi2 n PHE 73 Ca 0.07 -0.43 0.03 0.00 1.01 0.00 0.00 57.45 58.14 1wi2 n PHE 73 Cb 0.54 -0.05 0.34 0.00 -0.01 0.00 0.00 39.48 40.29 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 0.00 0.00 -1.34 -1.08 4.20 -1.76 -2.63 115.11 112.51 1wi2 h GLN 74 Ca 0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 1wi2 h GLN 74 Cb 0.77 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.33 1wi2 h GLN 74 CO 0.00 0.41 -0.63 -0.25 -0.67 0.00 0.00 178.83 177.69 1wi2 n ASP 75 N -3.85 -2.59 -4.08 1.46 9.92 -1.26 -3.68 116.55 112.47 1wi2 n ASP 75 Ca -0.01 -2.79 -0.11 0.00 -0.53 0.00 0.00 54.79 51.35 1wi2 n ASP 75 Cb 0.46 1.11 -0.11 0.00 -0.64 0.00 0.00 41.12 41.94 1wi2 n ASP 75 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1wi2 s ILE 76 N 0.61 0.46 0.32 0.53 2.07 -1.26 -5.08 121.20 118.84 1wi2 s ILE 76 Ca 0.31 -1.35 -0.29 0.00 -1.41 0.00 0.00 60.65 57.91 1wi2 s ILE 76 Cb 0.02 -0.92 -0.10 0.00 0.13 0.00 0.00 42.46 41.59 1wi2 s ILE 76 CO -0.10 -0.60 1.33 -1.61 -1.91 0.00 0.00 174.94 172.05 1wi2 s GLU 77 N -2.41 4.33 0.10 3.50 0.41 -1.26 -4.76 118.70 118.62 1wi2 s GLU 77 Ca -0.04 2.24 -0.34 0.00 -0.41 0.00 0.00 54.97 56.42 1wi2 s GLU 77 Cb -0.04 -3.07 -0.15 0.00 -1.78 0.00 0.00 34.13 29.09 1wi2 s GLU 77 CO -0.02 -0.23 1.58 1.25 -0.49 0.00 0.00 175.26 177.34 1wi2 h HIS 78 N 3.58 -1.29 -0.98 1.61 -0.00 -1.88 0.56 115.15 116.75 1wi2 h HIS 78 Ca -0.49 0.02 0.30 0.00 -0.00 0.00 0.00 60.37 60.20 1wi2 h HIS 78 Cb 1.23 0.52 -0.15 0.00 -0.00 0.00 0.00 27.41 29.01 1wi2 h HIS 78 CO 0.56 -0.60 0.51 0.77 -0.00 0.00 0.00 177.93 179.16 1wi2 h SER 79 N -0.86 0.43 0.56 3.26 0.02 -1.97 0.22 113.55 115.21 1wi2 h SER 79 Ca -0.03 0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1wi2 h SER 79 Cb 0.79 0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.49 1wi2 h SER 79 CO -0.13 -0.12 -0.27 0.50 -1.14 0.00 0.00 176.83 175.67 1wi2 h LYS 80 N 0.32 -0.72 -0.86 3.45 1.63 -1.59 0.24 116.57 119.04 1wi2 h LYS 80 Ca 0.69 0.05 0.18 0.00 -0.85 0.00 0.00 60.65 60.72 1wi2 h LYS 80 Cb 1.53 0.16 -0.16 0.00 -0.60 0.00 0.00 32.23 33.16 1wi2 h LYS 80 CO -0.61 -0.43 -0.16 0.00 -3.45 0.00 0.00 179.45 174.80 1wi2 h ALA 81 N -0.54 0.65 0.63 5.00 0.00 0.15 1.47 119.26 126.63 1wi2 h ALA 81 Ca -0.08 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1wi2 h ALA 81 Cb 0.63 0.62 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1wi2 h ALA 81 CO 0.13 -0.42 -0.30 0.28 0.00 0.00 0.00 179.25 178.94 1wi2 h VAL 82 N 0.01 0.31 -0.44 0.00 2.07 -0.95 -1.95 116.25 115.29 1wi2 h VAL 82 Ca 0.43 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.83 1wi2 h VAL 82 Cb 0.70 0.37 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 1wi2 h VAL 82 CO -0.86 0.03 -0.23 -0.08 0.02 0.00 0.00 177.57 176.44 1wi2 h GLU 83 N -0.99 -0.14 0.00 1.57 4.81 0.20 0.10 114.58 120.12 1wi2 h GLU 83 Ca -0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1wi2 h GLU 83 Cb 0.69 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1wi2 h GLU 83 CO 0.14 -0.09 0.00 -0.89 -0.73 0.00 0.00 179.01 177.44 1wi2 n ILE 84 N -5.40 0.00 -0.33 2.32 5.41 0.48 0.19 119.36 122.03 1wi2 n ILE 84 Ca 0.03 1.48 0.18 0.00 1.00 0.00 0.00 62.75 65.44 1wi2 n ILE 84 Cb 0.31 -2.18 0.36 0.00 -0.71 0.00 0.00 39.64 37.42 1wi2 n ILE 84 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1wi2 h LEU 85 N 0.00 -0.19 0.02 1.39 3.38 -0.96 1.44 115.31 120.38 1wi2 h LEU 85 Ca 0.00 0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1wi2 h LEU 85 Cb 0.00 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wi2 h LEU 85 CO 0.00 -0.33 -0.01 0.11 0.09 0.00 0.00 178.44 178.31 1wi2 h LYS 86 N 0.06 -0.02 -0.32 1.13 1.57 0.11 -2.60 116.57 116.49 1wi2 h LYS 86 Ca 0.65 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.52 1wi2 h LYS 86 Cb 1.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1wi2 h LYS 86 CO -0.83 -0.01 0.62 1.79 -0.57 0.00 0.00 179.45 180.45 1wi2 h THR 87 N -0.02 0.13 -2.88 -0.16 1.35 0.35 -3.32 112.91 108.36 1wi2 h THR 87 Ca -0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.24 1wi2 h THR 87 Cb 0.02 0.45 -0.13 0.00 -1.73 0.00 0.00 68.15 66.75 1wi2 h THR 87 CO 0.00 0.00 0.55 0.00 -0.25 0.00 0.00 175.52 175.83 1wi2 s ALA 88 N -4.32 3.13 0.35 6.62 0.00 0.48 -4.89 121.76 123.12 1wi2 s ALA 88 Ca -0.03 -1.59 0.11 0.00 0.00 0.00 0.00 51.96 50.46 1wi2 s ALA 88 Cb 0.11 -3.81 0.91 0.00 0.00 0.00 0.00 23.12 20.33 1wi2 s ALA 88 CO 0.36 -2.62 1.78 0.07 0.00 0.00 0.00 175.76 175.35 1wi2 h ARG 89 N 9.47 0.57 -5.06 0.00 0.11 -1.77 -3.37 114.38 114.32 1wi2 h ARG 89 Ca -0.28 -0.03 -0.65 0.00 0.10 0.00 0.00 59.98 59.12 1wi2 h ARG 89 Cb 1.07 -0.13 -0.34 0.00 1.11 0.00 0.00 29.97 31.68 1wi2 h ARG 89 CO 1.14 0.38 -0.86 -1.83 0.10 0.00 0.00 179.97 178.90 1wi2 s GLU 90 N -5.69 2.78 -0.24 0.08 -1.05 -1.26 -4.79 118.70 108.53 1wi2 s GLU 90 Ca -0.10 -0.77 -0.23 0.00 -0.15 0.00 0.00 54.97 53.72 1wi2 s GLU 90 Cb 0.25 -2.27 -0.01 0.00 -0.44 0.00 0.00 34.13 31.66 1wi2 s GLU 90 CO 0.80 -0.03 0.74 0.42 0.95 0.00 0.00 175.26 178.14 1wi2 s ILE 91 N 0.88 4.91 -0.40 1.83 1.01 -1.26 -4.97 121.20 123.20 1wi2 s ILE 91 Ca -0.07 1.39 0.07 0.00 0.00 0.00 0.00 60.65 62.04 1wi2 s ILE 91 Cb -0.15 -4.04 0.23 0.00 0.01 0.00 0.00 42.46 38.50 1wi2 s ILE 91 CO -0.02 -0.01 0.48 -0.24 0.00 0.00 0.00 174.94 175.14 1wi2 n SER 92 N 5.75 -0.09 -5.01 3.58 2.88 -1.26 -1.61 113.62 117.86 1wi2 n SER 92 Ca 0.03 -2.61 -0.17 0.00 -1.33 0.00 0.00 58.87 54.78 1wi2 n SER 92 Cb 0.48 -0.55 0.01 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.79 2.88 -0.07 -1.46 0.23 -1.23 -2.37 119.30 116.49 1wi2 s MET 93 Ca 0.34 -1.19 0.02 0.00 -1.03 0.00 0.00 55.69 53.84 1wi2 s MET 93 Cb 0.13 -2.77 -0.03 0.00 -1.53 0.00 0.00 34.83 30.64 1wi2 s MET 93 CO -0.14 -0.21 -0.12 1.03 -2.03 0.00 0.00 175.02 173.56 1wi2 s ARG 94 N -4.32 2.73 0.23 3.16 0.52 0.12 -1.59 118.95 119.80 1wi2 s ARG 94 Ca 0.53 -0.65 0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1wi2 s ARG 94 Cb -0.10 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.83 1wi2 s ARG 94 CO 0.33 0.57 0.04 0.14 0.02 0.00 0.00 175.30 176.40 1wi2 s VAL 95 N -0.57 0.73 -0.02 3.52 -7.23 -0.38 0.11 120.40 116.56 1wi2 s VAL 95 Ca 0.08 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.99 1wi2 s VAL 95 Cb -0.12 -2.43 0.06 0.00 0.56 0.00 0.00 36.38 34.45 1wi2 s VAL 95 CO 0.01 -0.21 0.57 -0.60 -0.31 0.00 0.00 175.10 174.56 1wi2 s ARG 96 N -3.95 0.98 -1.07 4.82 3.52 -1.20 -0.06 118.95 121.98 1wi2 s ARG 96 Ca 0.32 0.04 -0.24 0.00 -0.13 0.00 0.00 55.73 55.72 1wi2 s ARG 96 Cb 0.07 0.45 -0.09 0.00 -1.56 0.00 0.00 34.95 33.82 1wi2 s ARG 96 CO 0.10 -0.31 1.98 -0.06 -0.81 0.00 0.00 175.30 176.20 1wi2 s PHE 97 N -1.53 1.79 -1.24 5.12 0.08 -1.26 -4.01 117.98 116.93 1wi2 s PHE 97 Ca -0.10 0.79 -0.08 0.00 0.12 0.00 0.00 56.93 57.65 1wi2 s PHE 97 Cb -0.01 -3.91 0.20 0.00 -0.57 0.00 0.00 43.02 38.72 1wi2 s PHE 97 CO 0.06 -1.32 1.81 1.19 -0.10 0.00 0.00 175.22 176.85 1wi2 n PHE 98 N 15.05 2.76 -3.01 0.36 3.72 -1.26 -4.79 117.46 130.28 1wi2 n PHE 98 Ca 0.43 -2.74 -0.01 0.00 -0.05 0.00 0.00 57.45 55.09 1wi2 n PHE 98 Cb 0.46 -1.79 -0.01 0.00 -0.94 0.00 0.00 39.48 37.21 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wi2 n SER 99 N 3.26 -6.45 -4.52 4.37 2.88 -1.26 -4.96 113.62 106.94 1wi2 n SER 99 Ca 0.37 0.84 -0.26 0.00 -1.33 0.00 0.00 58.87 58.49 1wi2 n SER 99 Cb 0.35 -2.67 -0.10 0.00 -0.75 0.00 0.00 64.21 61.04 1wi2 n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wi2 s GLY 100 N -0.83 2.48 0.48 0.46 0.00 -1.26 -5.09 107.32 103.57 1wi2 s GLY 100 Ca -0.03 -1.71 -0.20 0.00 0.00 0.00 0.00 44.72 42.78 1wi2 s GLY 100 CO 0.23 -1.99 1.04 2.56 0.00 0.00 0.00 173.10 174.94 1wi2 s PRO 101 N -3.80 3.81 0.01 2.90 0.04 -1.26 -5.06 135.00 131.63 1wi2 s PRO 101 Ca 0.28 1.37 -0.18 0.00 0.04 0.00 0.00 61.00 62.51 1wi2 s PRO 101 Cb 0.07 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1wi2 s PRO 101 CO 0.14 -0.42 0.40 -1.12 0.04 0.00 0.00 177.00 176.04 1wi2 s SER 102 N -1.96 -0.29 -0.19 6.66 0.01 -1.26 -5.08 113.70 111.58 1wi2 s SER 102 Ca 0.67 0.12 -0.15 0.00 1.31 0.00 0.00 55.95 57.89 1wi2 s SER 102 Cb -0.17 0.39 -0.07 0.00 0.21 0.00 0.00 66.02 66.39 1wi2 s SER 102 CO 0.20 -0.57 -0.27 -0.24 0.41 0.00 0.00 173.24 172.77 1wi2 n SER 103 N 0.85 1.90 0.00 2.44 2.88 -1.26 -5.35 113.62 115.09 1wi2 n SER 103 Ca -0.20 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1wi2 n SER 103 Cb 0.58 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1wi2 n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42