#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 4.13 0.07 1.61 0.01 -1.26 -4.79 113.70 113.47 1wi2 s SER 2 Ca 0.00 0.55 -0.35 0.00 1.31 0.00 0.00 55.95 57.46 1wi2 s SER 2 Cb 0.00 -2.53 -0.19 0.00 0.21 0.00 0.00 66.02 63.51 1wi2 s SER 2 CO 0.00 -3.42 1.59 -1.28 0.41 0.00 0.00 173.24 170.54 1wi2 h SER 3 N 16.07 -1.05 -2.22 2.44 0.87 -2.09 -3.44 113.55 124.11 1wi2 h SER 3 Ca -0.12 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1wi2 h SER 3 Cb 1.13 0.29 -0.21 0.00 -0.44 0.00 0.00 62.40 63.18 1wi2 h SER 3 CO 1.08 -0.69 -0.04 -0.83 -0.53 0.00 0.00 176.83 175.81 1wi2 s GLY 4 N -2.06 -0.64 0.10 5.77 0.00 -1.26 -5.16 107.32 104.07 1wi2 s GLY 4 Ca -0.19 2.45 0.02 0.00 0.00 0.00 0.00 44.72 47.00 1wi2 s GLY 4 CO 0.61 2.88 0.20 -0.45 0.00 0.00 0.00 173.10 176.34 1wi2 s SER 5 N 2.46 6.10 0.06 1.64 0.15 -1.26 -5.11 113.70 117.73 1wi2 s SER 5 Ca -0.07 0.14 -0.00 0.00 0.70 0.00 0.00 55.95 56.72 1wi2 s SER 5 Cb -0.09 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 1wi2 s SER 5 CO -0.19 0.13 0.20 -0.55 1.20 0.00 0.00 173.24 174.03 1wi2 s SER 6 N -2.75 6.31 -0.07 5.45 0.15 -1.26 -5.09 113.70 116.45 1wi2 s SER 6 Ca 0.33 0.26 -0.18 0.00 0.70 0.00 0.00 55.95 57.07 1wi2 s SER 6 Cb -0.12 -1.94 -0.05 0.00 -1.71 0.00 0.00 66.02 62.21 1wi2 s SER 6 CO 0.26 0.18 0.47 -0.83 1.20 0.00 0.00 173.24 174.53 1wi2 s GLY 7 N -2.45 2.45 -0.36 9.45 0.00 -1.26 -5.04 107.32 110.10 1wi2 s GLY 7 Ca 0.34 -0.17 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 1wi2 s GLY 7 CO 0.27 0.60 0.19 -1.31 0.00 0.00 0.00 173.10 172.84 1wi2 s ASN 8 N 0.05 3.46 0.68 1.64 -0.87 -1.26 -5.12 114.94 113.52 1wi2 s ASN 8 Ca 0.26 -2.09 -0.17 0.00 -1.57 0.00 0.00 52.86 49.29 1wi2 s ASN 8 Cb -0.16 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.25 40.27 1wi2 s ASN 8 CO 0.12 -0.34 -0.14 -0.46 -2.57 0.00 0.00 177.10 173.72 1wi2 n ASN 9 N 4.22 -3.66 -2.86 -1.22 0.23 -1.26 -4.96 115.26 105.75 1wi2 n ASN 9 Ca 0.06 0.52 -0.11 0.00 -0.53 0.00 0.00 54.58 54.52 1wi2 n ASN 9 Cb 0.38 -0.92 0.02 0.00 -2.08 0.00 0.00 39.78 37.18 1wi2 n ASN 9 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1wi2 n GLU 10 N 1.22 0.71 -3.58 -3.83 1.02 -1.26 -4.99 120.64 109.93 1wi2 n GLU 10 Ca 0.06 -2.10 -0.19 0.00 -0.02 0.00 0.00 57.16 54.91 1wi2 n GLU 10 Cb 0.50 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 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 1.82 -3.33 -4.38 -4.62 4.32 -1.26 -4.88 117.00 104.66 1wi2 n LEU 11 Ca 0.13 -0.73 -0.32 0.00 -0.02 0.00 0.00 56.01 55.07 1wi2 n LEU 11 Cb 0.60 -2.20 0.17 0.00 -1.62 0.00 0.00 43.42 40.36 1wi2 n LEU 11 CO 0.06 -0.02 -0.15 1.07 -1.22 0.00 0.00 177.39 177.14 1wi2 n THR 12 N -2.68 0.00 0.00 -5.08 5.66 -1.26 -4.90 114.28 106.02 1wi2 n THR 12 Ca -0.19 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1wi2 n THR 12 Cb 0.62 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 1wi2 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wi2 n GLN 13 N -2.52 0.00 -1.40 1.09 10.64 -1.26 -4.98 117.38 118.96 1wi2 n GLN 13 Ca 0.04 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.16 1wi2 n GLN 13 Cb 0.57 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.93 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1wi2 n PHE 14 N -1.01 -0.39 -2.70 2.61 3.72 -1.26 -5.13 117.46 113.29 1wi2 n PHE 14 Ca 0.00 -0.77 -0.31 0.00 -0.05 0.00 0.00 57.45 56.32 1wi2 n PHE 14 Cb 0.00 0.66 -0.03 0.00 -0.94 0.00 0.00 39.48 39.17 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 -0.89 3.75 0.97 4.37 1.43 -1.26 -5.04 118.68 122.01 1wi2 s LEU 15 Ca 0.04 1.26 -0.14 0.00 -1.03 0.00 0.00 54.13 54.26 1wi2 s LEU 15 Cb 0.12 -4.16 0.17 0.00 0.03 0.00 0.00 46.19 42.36 1wi2 s LEU 15 CO -0.04 -0.47 1.17 -2.16 0.23 0.00 0.00 176.35 175.08 1wi2 s PRO 16 N -3.96 0.65 0.17 1.29 0.04 -1.26 -4.95 135.00 126.98 1wi2 s PRO 16 Ca 0.53 0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.72 1wi2 s PRO 16 Cb -0.10 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1wi2 s PRO 16 CO 0.32 -2.49 -0.08 -0.98 0.04 0.00 0.00 177.00 173.81 1wi2 s ARG 17 N -5.41 1.13 -0.20 4.56 1.70 -0.44 -5.02 118.95 115.27 1wi2 s ARG 17 Ca 0.67 -1.51 0.01 0.00 -0.47 0.00 0.00 55.73 54.43 1wi2 s ARG 17 Cb -0.12 -0.63 0.03 0.00 -0.57 0.00 0.00 34.95 33.66 1wi2 s ARG 17 CO 0.54 0.03 -0.16 0.42 -1.08 0.00 0.00 175.30 175.05 1wi2 s ILE 18 N -3.34 2.19 -0.59 4.99 -1.09 -1.26 -1.03 121.20 121.06 1wi2 s ILE 18 Ca 0.20 -1.08 -0.19 0.00 -2.23 0.00 0.00 60.65 57.34 1wi2 s ILE 18 Cb 0.03 -2.02 0.10 0.00 -1.58 0.00 0.00 42.46 38.99 1wi2 s ILE 18 CO 0.03 0.39 0.70 -0.69 -1.23 0.00 0.00 174.94 174.13 1wi2 s VAL 19 N 1.26 4.82 -0.20 2.92 1.01 -0.54 -4.98 120.40 124.69 1wi2 s VAL 19 Ca 0.02 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1wi2 s VAL 19 Cb -0.15 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 1wi2 s VAL 19 CO -0.10 -1.11 0.22 -0.89 0.00 0.00 0.00 175.10 173.21 1wi2 s THR 20 N 2.69 5.34 0.47 3.92 2.01 -1.26 -3.28 115.64 125.53 1wi2 s THR 20 Ca 0.12 0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.50 1wi2 s THR 20 Cb -0.24 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1wi2 s THR 20 CO 0.06 0.38 0.02 -0.76 -0.69 0.00 0.00 174.62 173.63 1wi2 s LEU 21 N 0.67 2.38 0.00 4.42 1.02 0.10 -5.00 118.68 122.27 1wi2 s LEU 21 Ca 0.12 -1.59 0.00 0.00 0.02 0.00 0.00 54.13 52.68 1wi2 s LEU 21 Cb -0.13 -0.68 0.00 0.00 0.02 0.00 0.00 46.19 45.40 1wi2 s LEU 21 CO 0.02 -0.77 0.00 1.17 0.02 0.00 0.00 176.35 176.80 1wi2 n LYS 22 N -1.14 0.00 -2.12 1.70 4.81 -1.26 -3.41 118.16 116.73 1wi2 n LYS 22 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1wi2 n LYS 22 Cb 0.67 -0.12 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1wi2 n LYS 22 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1wi2 n LYS 23 N -1.92 -5.53 -1.55 1.64 3.00 -1.26 -4.19 118.16 108.34 1wi2 n LYS 23 Ca 0.00 3.90 -0.30 0.00 -0.00 0.00 0.00 58.31 61.91 1wi2 n LYS 23 Cb 0.00 -4.28 0.10 0.00 0.00 0.00 0.00 35.03 30.84 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 -0.52 1.97 -0.57 1.64 0.04 -1.26 -4.74 135.00 131.56 1wi2 s PRO 24 Ca 0.00 0.59 -0.06 0.00 0.04 0.00 0.00 61.00 61.58 1wi2 s PRO 24 Cb 0.00 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 1wi2 s PRO 24 CO 0.00 -1.69 2.68 -0.35 0.04 0.00 0.00 177.00 177.68 1wi2 n PRO 25 N -3.47 2.10 0.00 0.56 -0.04 -1.26 -2.74 135.00 130.15 1wi2 n PRO 25 Ca 0.07 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1wi2 n PRO 25 Cb 0.57 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 3.12 0.00 3.08 0.55 0.00 -1.26 -5.17 105.19 105.51 1wi2 n GLY 26 Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.64 0.00 4.61 0.00 -1.11 -5.15 121.76 120.75 1wi2 s ALA 27 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1wi2 s ALA 27 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1wi2 s ALA 27 CO 0.00 -0.06 0.00 1.04 0.00 0.00 0.00 175.76 176.74 1wi2 n GLN 28 N 1.18 2.70 0.04 0.00 6.02 -1.26 -4.89 117.38 121.18 1wi2 n GLN 28 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1wi2 n GLN 28 Cb 0.56 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.82 1wi2 n GLN 28 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1wi2 n LEU 29 N 0.00 0.26 0.00 1.08 7.94 -1.26 -4.92 117.00 120.10 1wi2 n LEU 29 Ca 0.00 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1wi2 n LEU 29 Cb 0.00 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1wi2 n LEU 29 CO 0.00 -0.63 0.00 0.61 -1.11 0.00 0.00 177.39 176.26 1wi2 n GLY 30 N 2.63 1.43 3.51 -3.96 0.00 -1.26 -4.36 105.19 103.19 1wi2 n GLY 30 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.33 -0.04 1.61 -0.71 -1.26 0.19 117.98 115.45 1wi2 s PHE 31 Ca 0.00 0.21 0.03 0.00 -1.04 0.00 0.00 56.93 56.13 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 -0.51 -0.10 -0.80 -1.34 0.00 0.00 175.22 172.47 1wi2 s ASN 32 N -2.41 4.37 0.12 1.98 0.01 0.50 -4.91 114.94 114.60 1wi2 s ASN 32 Ca 0.05 -0.13 0.03 0.00 -0.71 0.00 0.00 52.86 52.10 1wi2 s ASN 32 Cb -0.01 -1.00 -0.04 0.00 0.41 0.00 0.00 41.25 40.61 1wi2 s ASN 32 CO -0.08 0.34 0.16 0.27 -1.51 0.00 0.00 177.10 176.28 1wi2 s ILE 33 N -0.82 4.83 -0.02 0.60 -4.36 -1.26 0.85 121.20 121.01 1wi2 s ILE 33 Ca 0.13 -0.79 -0.25 0.00 -0.26 0.00 0.00 60.65 59.48 1wi2 s ILE 33 Cb -0.11 -3.41 0.05 0.00 1.25 0.00 0.00 42.46 40.24 1wi2 s ILE 33 CO 0.02 0.00 0.55 0.00 0.24 0.00 0.00 174.94 175.76 1wi2 s ARG 34 N -2.83 0.95 0.00 0.37 1.70 -1.15 -4.75 118.95 113.25 1wi2 s ARG 34 Ca 0.32 0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.62 1wi2 s ARG 34 Cb -0.11 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1wi2 s ARG 34 CO 0.25 -0.30 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 1wi2 n GLY 35 N 0.89 -2.13 0.00 3.88 0.00 -1.25 -0.65 105.19 105.94 1wi2 n GLY 35 Ca -0.20 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.54 -1.60 3.86 -0.02 0.00 -0.87 -2.84 105.19 103.17 1wi2 n GLY 36 Ca 0.00 0.81 -0.07 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 1.81 -0.84 1.61 1.02 -1.26 -4.38 119.74 117.70 1wi2 s LYS 37 Ca 0.00 -1.02 -0.18 0.00 0.02 0.00 0.00 55.97 54.80 1wi2 s LYS 37 Cb 0.00 0.61 0.15 0.00 -0.52 0.00 0.00 37.83 38.07 1wi2 s LYS 37 CO 0.00 -0.83 0.97 0.00 -0.92 0.00 0.00 175.35 174.56 1wi2 s ALA 38 N -3.81 3.55 0.00 5.17 0.00 -1.26 -4.00 121.76 121.41 1wi2 s ALA 38 Ca 0.11 -2.80 0.00 0.00 0.00 0.00 0.00 51.96 49.27 1wi2 s ALA 38 Cb -0.06 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1wi2 s ALA 38 CO 0.07 -2.70 0.00 0.45 0.00 0.00 0.00 175.76 173.58 1wi2 n SER 39 N 5.88 0.00 -2.02 0.00 2.88 -1.26 -4.94 113.62 114.17 1wi2 n SER 39 Ca 0.15 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.51 1wi2 n SER 39 Cb 0.47 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.00 -1.44 0.00 -1.46 6.02 -1.26 -4.97 117.38 114.27 1wi2 n GLN 40 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 1wi2 n GLN 40 Cb 0.00 -5.40 0.00 0.00 1.02 0.00 0.00 30.24 25.86 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 -2.57 0.00 0.00 1.08 -0.00 -1.26 -5.12 117.00 109.14 1wi2 n LEU 41 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1wi2 n LEU 41 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 1wi2 n LEU 41 CO 0.25 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 1wi2 n GLY 42 N 5.00 -0.52 3.69 -3.96 0.00 -1.26 -4.75 105.19 103.40 1wi2 n GLY 42 Ca 0.00 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.76 5.02 -0.03 -0.61 -1.09 -1.13 -2.05 121.20 118.53 1wi2 s ILE 43 Ca 0.00 1.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1wi2 s ILE 43 Cb 0.00 -4.03 0.03 0.00 -1.58 0.00 0.00 42.46 36.88 1wi2 s ILE 43 CO 0.00 0.18 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.52 1wi2 s PHE 44 N 1.31 0.40 -0.81 3.97 0.40 0.18 -1.83 117.98 121.59 1wi2 s PHE 44 Ca 0.35 -0.04 -0.31 0.00 -0.60 0.00 0.00 56.93 56.34 1wi2 s PHE 44 Cb -0.17 -0.48 -0.18 0.00 0.51 0.00 0.00 43.02 42.71 1wi2 s PHE 44 CO 0.15 -0.15 2.58 -0.89 0.70 0.00 0.00 175.22 177.60 1wi2 n ILE 45 N 4.22 -0.01 0.30 0.64 2.08 -1.20 -2.91 119.36 122.48 1wi2 n ILE 45 Ca -0.24 -0.22 -0.12 0.00 0.56 0.00 0.00 62.75 62.73 1wi2 n ILE 45 Cb 0.50 -1.15 -0.06 0.00 -0.75 0.00 0.00 39.64 38.19 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 13.84 -0.67 -5.05 4.38 4.64 0.16 -3.11 113.55 127.74 1wi2 h SER 46 Ca -0.11 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 1wi2 h SER 46 Cb 1.31 0.17 -0.18 0.00 -0.31 0.00 0.00 62.40 63.39 1wi2 h SER 46 CO 1.30 -0.37 -0.42 -0.75 -0.87 0.00 0.00 176.83 175.72 1wi2 s LYS 47 N -4.30 0.63 -0.02 4.77 2.36 -0.77 -4.87 119.74 117.53 1wi2 s LYS 47 Ca -0.12 -0.55 0.02 0.00 -2.55 0.00 0.00 55.97 52.77 1wi2 s LYS 47 Cb 0.01 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 -0.06 0.08 1.55 0.00 0.00 175.35 177.10 1wi2 s VAL 48 N -2.19 0.54 0.09 4.02 1.01 -1.26 0.19 120.40 122.79 1wi2 s VAL 48 Ca -0.08 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 1wi2 s VAL 48 Cb -0.03 -0.51 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 1wi2 s VAL 48 CO -0.02 0.19 1.55 -0.63 0.00 0.00 0.00 175.10 176.19 1wi2 s ILE 49 N 0.34 3.10 -0.74 2.22 -1.09 0.51 -4.86 121.20 120.68 1wi2 s ILE 49 Ca -0.04 0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 58.96 1wi2 s ILE 49 Cb -0.08 -3.42 -0.12 0.00 -1.58 0.00 0.00 42.46 37.26 1wi2 s ILE 49 CO -0.00 0.02 2.63 -0.81 -1.23 0.00 0.00 174.94 175.55 1wi2 n PRO 50 N 4.94 2.28 0.00 2.79 -0.04 -1.26 -2.75 135.00 140.95 1wi2 n PRO 50 Ca 0.14 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1wi2 n PRO 50 Cb 0.41 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 3.41 0.00 -3.52 3.54 8.00 -1.26 -5.13 116.55 121.59 1wi2 n ASP 51 Ca 0.49 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.78 1wi2 n ASP 51 Cb 0.38 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.43 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 2.06 0.11 -2.24 3.41 -1.11 -5.02 113.62 110.83 1wi2 n SER 52 Ca 0.00 -2.55 -0.03 0.00 -0.26 0.00 0.00 58.87 56.03 1wi2 n SER 52 Cb 0.00 0.49 0.11 0.00 -0.26 0.00 0.00 64.21 64.56 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 1.00 0.07 -0.24 4.04 3.32 -1.90 -2.85 116.42 119.86 1wi2 h ASP 53 Ca -0.26 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.57 1wi2 h ASP 53 Cb 0.88 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1wi2 h ASP 53 CO 0.42 0.73 -0.49 0.00 -1.72 0.00 0.00 179.24 178.18 1wi2 h ALA 54 N 1.27 0.57 0.00 3.45 0.00 -1.86 0.25 119.26 122.94 1wi2 h ALA 54 Ca -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1wi2 h ALA 54 Cb 1.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wi2 h ALA 54 CO 0.09 0.68 -0.12 1.25 0.00 0.00 0.00 179.25 181.15 1wi2 h HIS 55 N 0.64 0.00 0.14 0.00 -0.00 -1.73 -0.22 115.15 113.99 1wi2 h HIS 55 Ca 0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 60.37 60.07 1wi2 h HIS 55 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.49 1wi2 h HIS 55 CO 0.06 0.12 -1.69 0.00 -0.00 0.00 0.00 177.93 176.42 1wi2 h ARG 56 N 0.00 0.30 -0.53 5.26 3.08 -1.25 -3.30 114.38 117.94 1wi2 h ARG 56 Ca -0.00 -0.52 0.13 0.00 0.07 0.00 0.00 59.98 59.66 1wi2 h ARG 56 Cb 0.22 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1wi2 h ARG 56 CO 0.02 1.18 0.37 0.00 -1.07 0.00 0.00 179.97 180.47 1wi2 h ALA 57 N 0.31 2.33 0.00 0.04 0.00 0.06 -3.45 119.26 118.55 1wi2 h ALA 57 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wi2 h ALA 57 Cb 2.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1wi2 h ALA 57 CO 0.16 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.35 1wi2 n GLY 58 N -1.60 1.90 3.75 0.00 0.00 -0.84 -4.95 105.19 103.46 1wi2 n GLY 58 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 4.54 -0.00 0.99 1.43 -0.15 -5.04 118.68 120.45 1wi2 s LEU 59 Ca 0.00 1.71 -0.04 0.00 -1.03 0.00 0.00 54.13 54.77 1wi2 s LEU 59 Cb 0.00 -3.43 -0.00 0.00 0.03 0.00 0.00 46.19 42.78 1wi2 s LEU 59 CO 0.00 0.07 0.07 -1.10 0.23 0.00 0.00 176.35 175.62 1wi2 s GLN 60 N -0.54 0.32 -0.27 1.70 -0.21 -1.26 -4.62 119.66 114.77 1wi2 s GLN 60 Ca 0.41 -0.30 -0.30 0.00 0.02 0.00 0.00 55.36 55.18 1wi2 s GLN 60 Cb -0.23 0.13 -0.07 0.00 1.00 0.00 0.00 33.01 33.83 1wi2 s GLN 60 CO 0.28 -0.06 2.22 0.39 -2.12 0.00 0.00 175.29 176.00 1wi2 n GLU 61 N 1.98 1.62 0.00 2.91 1.02 -1.26 -0.69 120.64 126.22 1wi2 n GLU 61 Ca -0.20 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1wi2 n GLU 61 Cb 0.57 -2.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 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 6.06 1.35 3.54 0.62 0.00 -1.17 -5.00 105.19 110.58 1wi2 n GLY 62 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 1wi2 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wi2 n ASP 63 N 0.00 1.73 -4.70 1.61 8.00 0.13 -4.69 116.55 118.63 1wi2 n ASP 63 Ca 0.00 -0.63 -0.42 0.00 0.71 0.00 0.00 54.79 54.45 1wi2 n ASP 63 Cb 0.00 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 39.62 1wi2 n ASP 63 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wi2 s GLN 64 N 8.47 4.22 -0.81 -1.24 0.74 -1.25 -3.27 119.66 126.52 1wi2 s GLN 64 Ca 1.04 2.29 -0.21 0.00 0.05 0.00 0.00 55.36 58.53 1wi2 s GLN 64 Cb -0.35 -3.43 0.10 0.00 1.10 0.00 0.00 33.01 30.42 1wi2 s GLN 64 CO 0.27 -0.66 1.08 0.08 -0.55 0.00 0.00 175.29 175.51 1wi2 s VAL 65 N 2.03 4.48 0.03 1.34 1.01 -0.76 -3.30 120.40 125.22 1wi2 s VAL 65 Ca 0.71 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1wi2 s VAL 65 Cb -0.40 -4.76 -0.06 0.00 0.00 0.00 0.00 36.38 31.16 1wi2 s VAL 65 CO 0.31 -1.52 1.19 -0.07 0.00 0.00 0.00 175.10 175.01 1wi2 h LEU 66 N 11.04 -0.46 -8.62 3.92 3.38 0.32 -3.40 115.31 121.48 1wi2 h LEU 66 Ca -0.05 0.03 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 1wi2 h LEU 66 Cb 1.04 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 1wi2 h LEU 66 CO 1.17 -0.23 -0.70 0.00 0.09 0.00 0.00 178.44 178.77 1wi2 s ALA 67 N -4.11 1.35 -0.22 1.53 0.00 -1.22 -1.92 121.76 117.16 1wi2 s ALA 67 Ca -0.06 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.38 1wi2 s ALA 67 Cb 0.01 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.40 1wi2 s ALA 67 CO 0.20 -0.18 0.05 0.08 0.00 0.00 0.00 175.76 175.91 1wi2 s VAL 68 N -3.46 0.57 -1.26 0.00 1.01 0.50 0.16 120.40 117.91 1wi2 s VAL 68 Ca 0.18 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1wi2 s VAL 68 Cb 0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1wi2 s VAL 68 CO 0.00 -0.34 0.67 0.59 0.00 0.00 0.00 175.10 176.03 1wi2 n ASN 69 N 5.02 -2.51 0.00 3.32 3.02 0.65 -1.26 115.26 123.50 1wi2 n ASN 69 Ca -0.07 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1wi2 n ASN 69 Cb 0.46 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 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 -2.94 0.00 -4.68 6.41 -0.08 -1.26 -4.93 116.55 109.06 1wi2 n ASP 70 Ca -0.23 0.00 -0.50 0.00 -1.51 0.00 0.00 54.79 52.56 1wi2 n ASP 70 Cb 0.65 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.06 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 0.50 -2.56 5.18 0.31 -0.39 -4.90 118.33 116.46 1wi2 n VAL 71 Ca 0.00 -0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 1wi2 n VAL 71 Cb 0.00 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.15 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 3.74 7.26 0.00 4.52 1.01 -1.26 0.19 116.67 132.12 1wi2 s ASP 72 Ca 0.93 1.90 0.23 0.00 0.71 0.00 0.00 52.55 56.32 1wi2 s ASP 72 Cb -0.75 -2.58 0.15 0.00 1.01 0.00 0.00 42.92 40.75 1wi2 s ASP 72 CO 0.53 -0.31 1.19 0.49 0.21 0.00 0.00 175.17 177.28 1wi2 n PHE 73 N 3.46 0.00 -0.27 4.23 3.01 -0.81 -4.30 117.46 122.78 1wi2 n PHE 73 Ca 0.06 0.00 0.24 0.00 1.01 0.00 0.00 57.45 58.76 1wi2 n PHE 73 Cb 0.48 -0.02 0.58 0.00 -0.01 0.00 0.00 39.48 40.51 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 2.43 0.27 -2.17 -1.08 4.20 -1.76 -3.17 115.11 113.83 1wi2 h GLN 74 Ca 0.00 -0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.17 1wi2 h GLN 74 Cb 0.73 -0.06 -0.35 0.00 0.30 0.00 0.00 27.48 28.10 1wi2 h GLN 74 CO 0.00 0.18 -0.91 -0.51 -0.67 0.00 0.00 178.83 176.92 1wi2 s ASP 75 N -5.45 1.00 0.06 1.46 1.01 -1.26 -4.43 116.67 109.06 1wi2 s ASP 75 Ca -0.07 -2.88 -0.06 0.00 0.71 0.00 0.00 52.55 50.25 1wi2 s ASP 75 Cb 0.23 -0.10 -0.01 0.00 1.01 0.00 0.00 42.92 44.05 1wi2 s ASP 75 CO 0.79 -0.15 0.12 -0.51 0.21 0.00 0.00 175.17 175.62 1wi2 s ILE 76 N 0.18 0.15 0.50 0.77 2.07 -1.20 -4.96 121.20 118.71 1wi2 s ILE 76 Ca 0.32 -1.23 -0.19 0.00 -1.41 0.00 0.00 60.65 58.15 1wi2 s ILE 76 Cb 0.03 -1.17 -0.08 0.00 0.13 0.00 0.00 42.46 41.37 1wi2 s ILE 76 CO -0.18 -0.68 1.01 -1.61 -1.91 0.00 0.00 174.94 171.58 1wi2 s GLU 77 N -3.29 3.82 0.02 3.50 0.41 -1.26 -4.20 118.70 117.70 1wi2 s GLU 77 Ca 0.01 1.21 -0.11 0.00 -0.41 0.00 0.00 54.97 55.67 1wi2 s GLU 77 Cb 0.03 -2.11 -0.06 0.00 -1.78 0.00 0.00 34.13 30.21 1wi2 s GLU 77 CO -0.08 -0.39 1.12 1.25 -0.49 0.00 0.00 175.26 176.67 1wi2 h HIS 78 N 1.30 -0.35 -0.44 1.61 -0.00 -1.83 0.68 115.15 116.12 1wi2 h HIS 78 Ca -0.48 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.01 1wi2 h HIS 78 Cb 1.21 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.71 1wi2 h HIS 78 CO 0.59 -0.22 0.71 0.66 -0.00 0.00 0.00 177.93 179.68 1wi2 h SER 79 N -0.39 0.00 0.00 3.26 4.64 -1.94 0.75 113.55 119.87 1wi2 h SER 79 Ca -0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1wi2 h SER 79 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1wi2 h SER 79 CO 0.06 0.00 -0.10 0.50 -0.87 0.00 0.00 176.83 176.42 1wi2 h LYS 80 N 0.00 0.00 0.08 4.77 1.63 -1.78 -2.22 116.57 119.05 1wi2 h LYS 80 Ca 0.21 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1wi2 h LYS 80 Cb 1.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 1wi2 h LYS 80 CO -0.00 0.94 -0.04 0.00 -3.45 0.00 0.00 179.45 176.90 1wi2 h ALA 81 N -0.10 -0.11 0.07 5.00 0.00 0.54 0.38 119.26 125.04 1wi2 h ALA 81 Ca -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wi2 h ALA 81 Cb 0.97 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1wi2 h ALA 81 CO -0.02 -0.52 -0.25 -0.24 0.00 0.00 0.00 179.25 178.22 1wi2 h VAL 82 N -0.17 0.44 0.21 0.00 3.04 0.06 -1.89 116.25 117.93 1wi2 h VAL 82 Ca -0.01 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.69 1wi2 h VAL 82 Cb 0.14 0.44 -0.03 0.00 -2.01 0.00 0.00 31.29 29.83 1wi2 h VAL 82 CO 0.02 0.00 -0.35 -0.33 -1.01 0.00 0.00 177.57 175.89 1wi2 h GLU 83 N -0.43 -0.61 -0.92 4.17 5.08 -1.23 -2.12 114.58 118.52 1wi2 h GLU 83 Ca 0.04 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1wi2 h GLU 83 Cb 0.48 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.74 1wi2 h GLU 83 CO -0.18 -0.41 -0.45 -0.89 -1.00 0.00 0.00 179.01 176.08 1wi2 n ILE 84 N -5.44 -0.56 0.01 3.13 5.41 0.13 0.12 119.36 122.15 1wi2 n ILE 84 Ca -0.08 2.19 -0.04 0.00 1.00 0.00 0.00 62.75 65.82 1wi2 n ILE 84 Cb 0.35 -2.79 -0.02 0.00 -0.71 0.00 0.00 39.64 36.47 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 -0.40 0.00 1.39 3.38 -0.88 1.14 115.31 119.94 1wi2 h LEU 85 Ca 0.23 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1wi2 h LEU 85 Cb 0.46 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1wi2 h LEU 85 CO -0.89 -0.12 0.00 0.29 0.09 0.00 0.00 178.44 177.81 1wi2 n LYS 86 N -3.23 0.00 -0.36 1.13 5.02 0.03 -1.90 118.16 118.86 1wi2 n LYS 86 Ca -0.02 0.75 -0.04 0.00 -2.02 0.00 0.00 58.31 56.98 1wi2 n LYS 86 Cb 0.09 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 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 -2.40 -0.53 -1.65 -0.18 -2.24 0.32 -4.32 114.28 103.28 1wi2 n THR 87 Ca 0.00 2.16 -0.47 0.00 -2.27 0.00 0.00 64.05 63.47 1wi2 n THR 87 Cb 0.00 -2.78 -0.04 0.00 -2.10 0.00 0.00 70.33 65.41 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 -3.45 0.79 -0.11 6.98 0.00 0.39 -4.88 120.51 120.24 1wi2 n ALA 88 Ca 0.07 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1wi2 n ALA 88 Cb 0.32 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 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 4.89 0.72 -5.18 0.00 0.11 -1.79 -3.43 114.38 109.71 1wi2 h ARG 89 Ca -0.45 -0.35 -0.66 0.00 0.10 0.00 0.00 59.98 58.62 1wi2 h ARG 89 Cb 1.28 -0.00 -0.34 0.00 1.11 0.00 0.00 29.97 32.02 1wi2 h ARG 89 CO 0.81 0.96 -0.87 -1.83 0.10 0.00 0.00 179.97 179.14 1wi2 s GLU 90 N -4.49 2.87 -0.17 0.08 -1.05 -1.26 -4.46 118.70 110.23 1wi2 s GLU 90 Ca -0.12 -0.81 -0.19 0.00 -0.15 0.00 0.00 54.97 53.69 1wi2 s GLU 90 Cb 0.09 -2.26 -0.03 0.00 -0.44 0.00 0.00 34.13 31.49 1wi2 s GLU 90 CO 0.83 0.07 0.55 0.42 0.95 0.00 0.00 175.26 178.07 1wi2 s ILE 91 N 0.62 5.10 -0.43 1.83 1.01 -1.22 -4.95 121.20 123.15 1wi2 s ILE 91 Ca -0.13 1.05 0.05 0.00 0.00 0.00 0.00 60.65 61.63 1wi2 s ILE 91 Cb -0.17 -3.87 0.19 0.00 0.01 0.00 0.00 42.46 38.62 1wi2 s ILE 91 CO 0.03 0.21 0.49 -0.24 0.00 0.00 0.00 174.94 175.43 1wi2 n SER 92 N 4.46 -1.15 -4.82 3.58 2.88 -1.26 0.02 113.62 117.33 1wi2 n SER 92 Ca -0.04 -2.60 -0.22 0.00 -1.33 0.00 0.00 58.87 54.68 1wi2 n SER 92 Cb 0.51 0.07 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.05 2.74 -0.20 -1.46 0.23 -1.21 -0.25 119.30 119.20 1wi2 s MET 93 Ca 0.33 -1.24 -0.06 0.00 -1.03 0.00 0.00 55.69 53.69 1wi2 s MET 93 Cb 0.07 -2.46 -0.03 0.00 -1.53 0.00 0.00 34.83 30.88 1wi2 s MET 93 CO -0.16 0.21 0.02 0.50 -2.03 0.00 0.00 175.02 173.57 1wi2 s ARG 94 N -3.91 3.71 0.25 3.16 3.52 0.12 -1.47 118.95 124.32 1wi2 s ARG 94 Ca 0.37 -0.48 0.11 0.00 -0.13 0.00 0.00 55.73 55.61 1wi2 s ARG 94 Cb -0.06 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 1wi2 s ARG 94 CO 0.25 0.07 -0.20 0.14 -0.81 0.00 0.00 175.30 174.75 1wi2 s VAL 95 N 0.88 2.31 -0.01 7.11 -7.23 -0.20 0.98 120.40 124.23 1wi2 s VAL 95 Ca 0.02 -2.28 -0.27 0.00 -1.81 0.00 0.00 61.98 57.64 1wi2 s VAL 95 Cb -0.14 -2.20 0.06 0.00 0.56 0.00 0.00 36.38 34.66 1wi2 s VAL 95 CO 0.02 -0.37 0.61 0.00 -0.31 0.00 0.00 175.10 175.05 1wi2 s ARG 96 N -3.32 1.03 0.62 4.82 1.70 -1.21 -1.32 118.95 121.27 1wi2 s ARG 96 Ca 0.26 0.07 -0.18 0.00 -0.47 0.00 0.00 55.73 55.42 1wi2 s ARG 96 Cb -0.05 0.48 -0.14 0.00 -0.57 0.00 0.00 34.95 34.67 1wi2 s ARG 96 CO 0.12 -0.34 -0.16 1.97 -1.08 0.00 0.00 175.30 175.81 1wi2 n PHE 97 N 0.77 -3.04 -0.60 5.89 -1.74 -1.26 -3.92 117.46 113.55 1wi2 n PHE 97 Ca -0.19 0.35 0.00 0.00 -0.56 0.00 0.00 57.45 57.05 1wi2 n PHE 97 Cb 0.58 -1.67 0.00 0.00 1.52 0.00 0.00 39.48 39.91 1wi2 n PHE 97 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 1wi2 n PHE 98 N -1.78 0.00 -0.01 2.97 1.16 -1.26 -4.84 117.46 113.70 1wi2 n PHE 98 Ca 0.06 -0.18 -0.05 0.00 -1.87 0.00 0.00 57.45 55.42 1wi2 n PHE 98 Cb 0.49 -0.02 -0.02 0.00 -1.61 0.00 0.00 39.48 38.33 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1wi2 n SER 99 N -0.18 0.75 0.00 5.98 7.64 -1.26 -5.12 113.62 121.43 1wi2 n SER 99 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1wi2 n SER 99 Cb 0.38 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1wi2 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi2 n GLY 100 N 2.79 -0.07 3.82 0.23 0.00 -1.26 -4.87 105.19 105.83 1wi2 n GLY 100 Ca -0.08 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 1wi2 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi2 s PRO 101 N 0.00 2.88 -0.27 1.61 0.04 -1.26 -5.05 135.00 132.95 1wi2 s PRO 101 Ca 0.00 0.93 0.01 0.00 0.04 0.00 0.00 61.00 61.97 1wi2 s PRO 101 Cb 0.00 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1wi2 s PRO 101 CO 0.00 -1.14 -0.07 0.45 0.04 0.00 0.00 177.00 176.28 1wi2 s SER 102 N -3.81 4.51 -0.44 6.66 0.15 -1.26 -5.07 113.70 114.43 1wi2 s SER 102 Ca 0.58 -1.25 -0.11 0.00 0.70 0.00 0.00 55.95 55.87 1wi2 s SER 102 Cb -0.14 -1.61 0.08 0.00 -1.71 0.00 0.00 66.02 62.64 1wi2 s SER 102 CO 0.55 -0.20 0.31 -0.44 1.20 0.00 0.00 173.24 174.67 1wi2 s SER 103 N 1.19 5.82 0.00 5.45 0.01 -1.26 -5.33 113.70 119.58 1wi2 s SER 103 Ca -0.06 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.73 1wi2 s SER 103 Cb -0.19 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1wi2 s SER 103 CO -0.04 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.63