#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 -0.44 0.21 1.61 0.01 -1.26 -5.19 113.70 108.65 1wi2 s SER 2 Ca 0.00 -0.21 -0.07 0.00 1.31 0.00 0.00 55.95 56.99 1wi2 s SER 2 Cb 0.00 0.60 -0.02 0.00 0.21 0.00 0.00 66.02 66.81 1wi2 s SER 2 CO 0.00 -1.03 0.28 -0.94 0.41 0.00 0.00 173.24 171.96 1wi2 s SER 3 N -2.80 0.05 0.13 2.44 1.04 -1.26 -5.15 113.70 108.15 1wi2 s SER 3 Ca 0.04 -1.13 -0.27 0.00 0.48 0.00 0.00 55.95 55.07 1wi2 s SER 3 Cb -0.02 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 1wi2 s SER 3 CO -0.08 -0.96 0.85 -0.83 0.98 0.00 0.00 173.24 173.20 1wi2 s GLY 4 N -3.07 2.94 0.11 7.32 0.00 -1.26 -5.04 107.32 108.32 1wi2 s GLY 4 Ca 0.29 0.44 -0.26 0.00 0.00 0.00 0.00 44.72 45.19 1wi2 s GLY 4 CO 0.09 1.14 0.88 -0.45 0.00 0.00 0.00 173.10 174.76 1wi2 s SER 5 N -0.55 -0.28 0.01 1.64 0.15 -1.26 -5.17 113.70 108.24 1wi2 s SER 5 Ca 0.40 -0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.86 1wi2 s SER 5 Cb -0.23 0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1wi2 s SER 5 CO 0.27 -0.86 -0.18 -0.44 1.20 0.00 0.00 173.24 173.24 1wi2 s SER 6 N -2.77 2.11 0.00 5.45 0.01 -1.26 -5.02 113.70 112.22 1wi2 s SER 6 Ca 0.09 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1wi2 s SER 6 Cb -0.02 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1wi2 s SER 6 CO -0.02 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1wi2 n GLY 7 N 2.34 0.16 2.05 3.44 0.00 -1.26 -5.09 105.19 106.82 1wi2 n GLY 7 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.88 -4.75 1.61 5.15 -1.26 -5.13 115.26 110.01 1wi2 n ASN 8 Ca 0.00 0.20 -0.33 0.00 -0.60 0.00 0.00 54.58 53.86 1wi2 n ASN 8 Cb 0.00 1.15 0.08 0.00 -0.53 0.00 0.00 39.78 40.49 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 -2.42 4.49 -0.36 1.20 0.01 -1.26 -4.98 114.94 111.62 1wi2 s ASN 9 Ca 0.00 2.07 0.05 0.00 -0.71 0.00 0.00 52.86 54.27 1wi2 s ASN 9 Cb 0.00 -2.56 0.23 0.00 0.41 0.00 0.00 41.25 39.33 1wi2 s ASN 9 CO 0.00 -2.05 1.21 1.21 -1.51 0.00 0.00 177.10 175.96 1wi2 n GLU 10 N -2.96 0.69 -2.33 -0.60 2.13 -1.26 -5.01 120.64 111.31 1wi2 n GLU 10 Ca 0.11 -1.26 -0.30 0.00 0.66 0.00 0.00 57.16 56.36 1wi2 n GLU 10 Cb 0.52 -0.04 0.01 0.00 0.27 0.00 0.00 31.44 32.20 1wi2 n GLU 10 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1wi2 n LEU 11 N -0.53 5.43 -4.62 4.31 4.77 -1.26 -5.02 117.00 120.08 1wi2 n LEU 11 Ca -0.15 -5.11 -0.43 0.00 -0.03 0.00 0.00 56.01 50.29 1wi2 n LEU 11 Cb 0.75 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1wi2 n LEU 11 CO -0.10 2.12 1.13 0.28 -1.33 0.00 0.00 177.39 179.49 1wi2 s THR 12 N -5.41 4.12 0.00 -5.08 -1.32 -1.26 -4.60 115.64 102.10 1wi2 s THR 12 Ca 0.49 1.24 0.00 0.00 -1.21 0.00 0.00 61.69 62.21 1wi2 s THR 12 Cb 0.41 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 1wi2 s THR 12 CO -0.24 -0.59 0.00 0.00 -2.21 0.00 0.00 174.62 171.58 1wi2 n GLN 13 N 7.50 0.00 -1.54 7.08 6.02 -1.26 -4.98 117.38 130.20 1wi2 n GLN 13 Ca 0.15 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.09 1wi2 n GLN 13 Cb 0.47 -0.06 -0.01 0.00 1.02 0.00 0.00 30.24 31.66 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1wi2 n PHE 14 N -2.21 -0.59 -0.92 1.08 3.01 -1.26 -5.14 117.46 111.42 1wi2 n PHE 14 Ca 0.00 -0.88 -0.34 0.00 1.01 0.00 0.00 57.45 57.24 1wi2 n PHE 14 Cb 0.00 0.78 0.10 0.00 -0.01 0.00 0.00 39.48 40.36 1wi2 n PHE 14 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1wi2 n LEU 15 N -0.45 -0.12 0.00 4.37 4.77 -1.26 -5.00 117.00 119.31 1wi2 n LEU 15 Ca -0.23 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1wi2 n LEU 15 Cb 0.77 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1wi2 n LEU 15 CO -0.14 -3.58 0.00 -0.81 -1.33 0.00 0.00 177.39 171.54 1wi2 n PRO 16 N -1.32 0.60 -4.08 3.23 -0.04 -1.26 -5.05 135.00 127.09 1wi2 n PRO 16 Ca 0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1wi2 n PRO 16 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.80 0.58 -0.29 0.54 1.70 -0.68 -5.01 118.95 114.99 1wi2 s ARG 17 Ca 0.00 -1.11 -0.03 0.00 -0.47 0.00 0.00 55.73 54.12 1wi2 s ARG 17 Cb 0.00 0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1wi2 s ARG 17 CO 0.00 -0.08 0.01 0.42 -1.08 0.00 0.00 175.30 174.57 1wi2 s ILE 18 N -3.35 3.25 -0.62 4.99 -1.09 -1.26 -1.54 121.20 121.59 1wi2 s ILE 18 Ca 0.03 -1.09 -0.12 0.00 -2.23 0.00 0.00 60.65 57.24 1wi2 s ILE 18 Cb 0.04 -2.76 0.16 0.00 -1.58 0.00 0.00 42.46 38.32 1wi2 s ILE 18 CO -0.07 0.02 0.53 -0.69 -1.23 0.00 0.00 174.94 173.50 1wi2 s VAL 19 N 1.35 4.86 0.15 2.92 1.01 -1.01 -4.99 120.40 124.68 1wi2 s VAL 19 Ca -0.01 -2.07 -0.30 0.00 0.00 0.00 0.00 61.98 59.60 1wi2 s VAL 19 Cb -0.18 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 1wi2 s VAL 19 CO -0.01 -0.89 1.00 -0.89 0.00 0.00 0.00 175.10 174.30 1wi2 s THR 20 N 0.88 4.25 0.19 3.92 2.01 -1.25 -4.05 115.64 121.58 1wi2 s THR 20 Ca 0.10 1.95 0.10 0.00 0.31 0.00 0.00 61.69 64.16 1wi2 s THR 20 Cb -0.22 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1wi2 s THR 20 CO -0.03 0.34 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.81 1wi2 s LEU 21 N -0.32 2.45 0.00 4.42 2.96 -0.62 -4.92 118.68 122.65 1wi2 s LEU 21 Ca 0.46 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1wi2 s LEU 21 Cb -0.25 -1.04 0.00 0.00 0.50 0.00 0.00 46.19 45.39 1wi2 s LEU 21 CO 0.32 0.06 0.00 1.17 -1.32 0.00 0.00 176.35 176.58 1wi2 n LYS 22 N 0.19 0.00 -1.89 1.98 4.81 -1.26 -2.94 118.16 119.05 1wi2 n LYS 22 Ca -0.12 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1wi2 n LYS 22 Cb 0.57 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.88 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 -2.20 -5.23 -1.56 1.64 0.00 -1.26 -4.52 118.16 105.04 1wi2 n LYS 23 Ca 0.00 3.75 -0.30 0.00 0.00 0.00 0.00 58.31 61.75 1wi2 n LYS 23 Cb 0.00 -4.08 0.07 0.00 0.00 0.00 0.00 35.03 31.02 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 -1.63 2.44 -0.90 1.64 0.04 -1.26 -4.94 135.00 130.39 1wi2 s PRO 24 Ca 0.00 0.77 -0.24 0.00 0.04 0.00 0.00 61.00 61.56 1wi2 s PRO 24 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wi2 s PRO 24 CO 0.00 -1.41 1.66 -1.25 0.04 0.00 0.00 177.00 176.05 1wi2 s PRO 25 N -5.11 3.05 0.00 0.56 0.04 -1.26 -2.87 135.00 129.40 1wi2 s PRO 25 Ca 0.60 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1wi2 s PRO 25 Cb -0.14 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1wi2 s PRO 25 CO 0.55 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 175.30 1wi2 n GLY 26 N 6.56 0.95 3.85 0.56 0.00 -1.26 -5.14 105.19 110.71 1wi2 n GLY 26 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.75 3.84 -0.38 4.61 0.00 -1.14 -5.01 121.76 121.94 1wi2 s ALA 27 Ca 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 51.96 50.33 1wi2 s ALA 27 Cb 0.00 -1.13 0.54 0.00 0.00 0.00 0.00 23.12 22.53 1wi2 s ALA 27 CO 0.00 -0.01 1.55 1.04 0.00 0.00 0.00 175.76 178.34 1wi2 n GLN 28 N -1.38 2.79 -1.21 0.00 6.02 -1.26 -5.00 117.38 117.34 1wi2 n GLN 28 Ca -0.01 -2.24 0.00 0.00 -0.01 0.00 0.00 57.00 54.74 1wi2 n GLN 28 Cb 0.60 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 -0.18 -1.89 -0.04 1.08 4.32 -1.26 -4.60 117.00 114.44 1wi2 n LEU 29 Ca 0.33 2.32 0.04 0.00 -0.02 0.00 0.00 56.01 58.68 1wi2 n LEU 29 Cb 1.17 -2.05 0.22 0.00 -1.62 0.00 0.00 43.42 41.15 1wi2 n LEU 29 CO 0.35 0.26 0.64 0.61 -1.22 0.00 0.00 177.39 178.03 1wi2 n GLY 30 N -1.04 -0.91 3.60 -0.72 0.00 -1.26 -4.83 105.19 100.02 1wi2 n GLY 30 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.98 0.62 0.22 1.61 -0.71 -1.26 0.13 117.98 116.61 1wi2 s PHE 31 Ca 0.12 -0.99 0.11 0.00 -1.04 0.00 0.00 56.93 55.13 1wi2 s PHE 31 Cb 0.06 0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 42.04 1wi2 s PHE 31 CO 0.09 -1.20 -0.21 -0.80 -1.34 0.00 0.00 175.22 171.76 1wi2 s ASN 32 N -3.13 3.55 -0.02 1.98 0.01 0.43 -4.91 114.94 112.86 1wi2 s ASN 32 Ca 0.24 -0.90 0.04 0.00 -0.71 0.00 0.00 52.86 51.53 1wi2 s ASN 32 Cb -0.02 -0.31 -0.01 0.00 0.41 0.00 0.00 41.25 41.33 1wi2 s ASN 32 CO 0.15 0.09 -0.14 0.27 -1.51 0.00 0.00 177.10 175.96 1wi2 s ILE 33 N -1.96 1.16 0.33 0.60 -4.36 -1.26 -1.85 121.20 113.87 1wi2 s ILE 33 Ca 0.24 -0.60 0.06 0.00 -0.26 0.00 0.00 60.65 60.09 1wi2 s ILE 33 Cb -0.07 -0.99 -0.03 0.00 1.25 0.00 0.00 42.46 42.62 1wi2 s ILE 33 CO 0.12 0.34 0.24 0.00 0.24 0.00 0.00 174.94 175.88 1wi2 s ARG 34 N -0.11 1.74 0.38 0.37 1.70 -1.03 -4.82 118.95 117.18 1wi2 s ARG 34 Ca 0.01 -2.02 0.00 0.00 -0.47 0.00 0.00 55.73 53.25 1wi2 s ARG 34 Cb -0.08 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.45 1wi2 s ARG 34 CO 0.00 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.04 1wi2 n GLY 35 N -0.65 -3.67 0.00 3.88 0.00 -1.26 -2.59 105.19 100.91 1wi2 n GLY 35 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.08 4.13 3.24 -0.02 0.00 -0.94 -4.35 105.19 105.16 1wi2 n GLY 36 Ca 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.56 -0.59 0.01 1.61 2.85 -1.26 -4.81 118.16 114.41 1wi2 n LYS 37 Ca 0.00 0.89 0.00 0.00 -1.05 0.00 0.00 58.31 58.15 1wi2 n LYS 37 Cb 0.00 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 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 0.98 0.00 -3.01 0.58 0.00 -1.26 -5.03 120.51 112.77 1wi2 n ALA 38 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1wi2 n ALA 38 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1wi2 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wi2 s SER 39 N -1.53 -0.46 -1.41 0.00 0.15 -1.26 -4.93 113.70 104.26 1wi2 s SER 39 Ca 0.00 -2.05 -0.17 0.00 0.70 0.00 0.00 55.95 54.43 1wi2 s SER 39 Cb 0.00 1.15 0.17 0.00 -1.71 0.00 0.00 66.02 65.62 1wi2 s SER 39 CO 0.00 -0.11 0.48 0.00 1.20 0.00 0.00 173.24 174.81 1wi2 n GLN 40 N 3.10 -1.67 -3.47 5.44 6.02 -1.26 -4.89 117.38 120.65 1wi2 n GLN 40 Ca 0.20 0.16 -0.25 0.00 -0.01 0.00 0.00 57.00 57.10 1wi2 n GLN 40 Cb 0.53 -4.75 -0.02 0.00 1.02 0.00 0.00 30.24 27.02 1wi2 n GLN 40 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wi2 s LEU 41 N -6.69 4.08 0.00 1.08 0.20 -1.26 -5.08 118.68 111.02 1wi2 s LEU 41 Ca 0.61 0.46 0.00 0.00 0.69 0.00 0.00 54.13 55.89 1wi2 s LEU 41 Cb -0.35 -3.29 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 1wi2 s LEU 41 CO 0.75 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 177.20 1wi2 n GLY 42 N -1.40 5.60 3.70 7.98 0.00 -1.22 -4.20 105.19 115.65 1wi2 n GLY 42 Ca -0.05 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 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 1.76 4.32 0.03 -0.61 -1.09 -1.24 -2.21 121.20 122.16 1wi2 s ILE 43 Ca 0.00 -0.38 -0.06 0.00 -2.23 0.00 0.00 60.65 57.97 1wi2 s ILE 43 Cb 0.00 -2.87 -0.01 0.00 -1.58 0.00 0.00 42.46 38.00 1wi2 s ILE 43 CO 0.00 0.50 0.12 -0.36 -1.23 0.00 0.00 174.94 173.96 1wi2 s PHE 44 N -0.99 0.15 -1.14 3.97 0.40 -1.07 -2.36 117.98 116.93 1wi2 s PHE 44 Ca 0.17 -0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 55.87 1wi2 s PHE 44 Cb -0.11 -0.11 -0.08 0.00 0.51 0.00 0.00 43.02 43.23 1wi2 s PHE 44 CO 0.06 -0.36 1.91 -0.89 0.70 0.00 0.00 175.22 176.65 1wi2 n ILE 45 N 0.87 2.17 -0.17 0.64 2.08 -0.15 -2.48 119.36 122.32 1wi2 n ILE 45 Ca -0.20 -2.20 -0.09 0.00 0.56 0.00 0.00 62.75 60.82 1wi2 n ILE 45 Cb 0.58 -2.22 -0.04 0.00 -0.75 0.00 0.00 39.64 37.21 1wi2 n ILE 45 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1wi2 h SER 46 N 9.11 -1.42 -5.18 4.38 0.87 -1.68 -3.31 113.55 116.31 1wi2 h SER 46 Ca 0.28 0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.98 1wi2 h SER 46 Cb 0.88 0.64 -0.14 0.00 -0.44 0.00 0.00 62.40 63.34 1wi2 h SER 46 CO 1.38 -0.35 -0.39 -0.75 -0.53 0.00 0.00 176.83 176.19 1wi2 s LYS 47 N -5.87 0.87 -0.02 2.24 2.36 -1.21 -4.87 119.74 113.25 1wi2 s LYS 47 Ca -0.14 -1.02 0.02 0.00 -2.55 0.00 0.00 55.97 52.28 1wi2 s LYS 47 Cb 0.13 0.34 0.00 0.00 -1.05 0.00 0.00 37.83 37.25 1wi2 s LYS 47 CO 0.66 -0.28 -0.07 0.08 1.55 0.00 0.00 175.35 177.30 1wi2 s VAL 48 N -3.88 0.59 0.04 4.02 1.01 -1.26 0.16 120.40 121.07 1wi2 s VAL 48 Ca 0.07 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1wi2 s VAL 48 Cb 0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 36.38 35.82 1wi2 s VAL 48 CO -0.09 0.19 1.61 -0.63 0.00 0.00 0.00 175.10 176.18 1wi2 s ILE 49 N 0.23 3.24 -0.66 2.22 -1.09 0.34 -4.85 121.20 120.63 1wi2 s ILE 49 Ca -0.03 0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 58.95 1wi2 s ILE 49 Cb -0.07 -3.40 -0.13 0.00 -1.58 0.00 0.00 42.46 37.28 1wi2 s ILE 49 CO 0.00 -0.01 2.65 -0.81 -1.23 0.00 0.00 174.94 175.54 1wi2 n PRO 50 N 5.82 2.20 0.00 2.79 -0.04 -1.26 -2.72 135.00 141.79 1wi2 n PRO 50 Ca 0.16 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1wi2 n PRO 50 Cb 0.41 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 3.33 0.00 -1.98 3.54 5.68 -1.26 -5.13 116.55 120.72 1wi2 n ASP 51 Ca 0.47 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.72 1wi2 n ASP 51 Cb 0.41 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 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 1.33 0.08 -1.12 3.41 -1.10 -5.03 113.62 111.19 1wi2 n SER 52 Ca 0.00 -1.32 -0.15 0.00 -0.26 0.00 0.00 58.87 57.14 1wi2 n SER 52 Cb 0.00 0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.22 0.52 -0.49 4.04 3.32 -1.89 -3.15 116.42 119.00 1wi2 h ASP 53 Ca -0.05 -0.47 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 1wi2 h ASP 53 Cb 0.18 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1wi2 h ASP 53 CO 0.08 1.30 0.12 0.00 -1.72 0.00 0.00 179.24 179.03 1wi2 h ALA 54 N 0.65 0.64 -0.63 3.45 0.00 -1.90 1.55 119.26 123.01 1wi2 h ALA 54 Ca -0.11 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.72 1wi2 h ALA 54 Cb 1.74 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1wi2 h ALA 54 CO 0.18 0.32 0.43 1.25 0.00 0.00 0.00 179.25 181.43 1wi2 h HIS 55 N 0.66 0.39 0.11 0.00 -0.00 -1.75 -0.16 115.15 114.40 1wi2 h HIS 55 Ca 0.15 0.01 -0.33 0.00 -0.00 0.00 0.00 60.37 60.20 1wi2 h HIS 55 Cb 0.32 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1wi2 h HIS 55 CO 0.02 0.17 -1.78 0.00 -0.00 0.00 0.00 177.93 176.34 1wi2 h ARG 56 N 0.35 0.24 -1.26 5.26 3.08 -1.33 -3.34 114.38 117.39 1wi2 h ARG 56 Ca 0.30 -0.41 0.36 0.00 0.07 0.00 0.00 59.98 60.30 1wi2 h ARG 56 Cb 0.69 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 1wi2 h ARG 56 CO -0.08 1.20 0.94 0.00 -1.07 0.00 0.00 179.97 180.96 1wi2 h ALA 57 N -0.02 3.18 0.00 0.04 0.00 0.29 -3.43 119.26 119.32 1wi2 h ALA 57 Ca -0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wi2 h ALA 57 Cb 1.90 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1wi2 h ALA 57 CO 0.05 -1.59 0.00 0.41 0.00 0.00 0.00 179.25 178.13 1wi2 n GLY 58 N -1.78 1.84 3.81 0.00 0.00 -0.71 -5.00 105.19 103.35 1wi2 n GLY 58 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 4.43 -0.08 0.99 1.02 -0.15 -5.05 118.68 119.83 1wi2 s LEU 59 Ca 0.00 1.39 -0.08 0.00 0.02 0.00 0.00 54.13 55.46 1wi2 s LEU 59 Cb 0.00 -3.36 0.02 0.00 0.02 0.00 0.00 46.19 42.88 1wi2 s LEU 59 CO 0.00 0.12 0.23 -1.10 0.02 0.00 0.00 176.35 175.62 1wi2 s GLN 60 N -1.64 0.28 -0.56 1.70 -0.21 -1.26 -4.68 119.66 113.28 1wi2 s GLN 60 Ca 0.38 0.30 -0.33 0.00 0.02 0.00 0.00 55.36 55.73 1wi2 s GLN 60 Cb -0.18 0.14 -0.14 0.00 1.00 0.00 0.00 33.01 33.83 1wi2 s GLN 60 CO 0.21 -0.04 2.37 0.39 -2.12 0.00 0.00 175.29 176.11 1wi2 n GLU 61 N 2.90 0.71 0.00 2.91 1.02 -1.26 -1.21 120.64 125.71 1wi2 n GLU 61 Ca -0.13 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1wi2 n GLU 61 Cb 0.58 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 6.49 1.89 3.71 0.62 0.00 -1.25 -4.69 105.19 111.96 1wi2 n GLY 62 Ca 0.48 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 3.35 -4.64 1.61 8.00 -0.35 -4.75 116.55 119.78 1wi2 n ASP 63 Ca 0.00 1.14 -0.35 0.00 0.71 0.00 0.00 54.79 56.29 1wi2 n ASP 63 Cb 0.00 -1.52 -0.10 0.00 -0.02 0.00 0.00 41.12 39.48 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 -0.39 3.14 -0.42 -1.24 0.74 -1.26 -0.98 119.66 119.25 1wi2 s GLN 64 Ca 0.66 -0.43 -0.23 0.00 0.05 0.00 0.00 55.36 55.41 1wi2 s GLN 64 Cb -0.57 -2.83 0.02 0.00 1.10 0.00 0.00 33.01 30.74 1wi2 s GLN 64 CO 0.48 0.60 0.79 0.08 -0.55 0.00 0.00 175.29 176.69 1wi2 s VAL 65 N -0.60 4.67 -0.05 1.34 1.01 -1.00 -3.32 120.40 122.45 1wi2 s VAL 65 Ca 0.10 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 1wi2 s VAL 65 Cb -0.12 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1wi2 s VAL 65 CO 0.02 -0.63 0.31 -0.07 0.00 0.00 0.00 175.10 174.73 1wi2 h LEU 66 N 10.03 -0.19 -7.51 3.92 3.38 -1.16 -3.39 115.31 120.39 1wi2 h LEU 66 Ca -0.25 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1wi2 h LEU 66 Cb 1.09 0.05 -0.19 0.00 0.09 0.00 0.00 40.66 41.69 1wi2 h LEU 66 CO 0.95 0.17 -0.26 0.00 0.09 0.00 0.00 178.44 179.39 1wi2 s ALA 67 N -3.22 -0.79 -0.04 1.53 0.00 -1.25 -2.94 121.76 115.06 1wi2 s ALA 67 Ca -0.03 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1wi2 s ALA 67 Cb 0.00 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.26 1wi2 s ALA 67 CO 0.10 -0.29 -0.05 0.14 0.00 0.00 0.00 175.76 175.65 1wi2 s VAL 68 N -1.57 0.55 -0.76 0.00 -7.23 -0.90 0.60 120.40 111.09 1wi2 s VAL 68 Ca -0.12 -0.17 -0.00 0.00 -1.81 0.00 0.00 61.98 59.88 1wi2 s VAL 68 Cb -0.04 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.34 1wi2 s VAL 68 CO 0.03 0.22 0.02 0.59 -0.31 0.00 0.00 175.10 175.64 1wi2 n ASN 69 N 3.82 -3.05 -0.37 4.85 3.02 -1.14 0.21 115.26 122.60 1wi2 n ASN 69 Ca -0.23 0.26 -0.01 0.00 -0.03 0.00 0.00 54.58 54.57 1wi2 n ASN 69 Cb 0.52 -2.63 0.00 0.00 -0.61 0.00 0.00 39.78 37.06 1wi2 n ASN 69 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wi2 n ASP 70 N -1.73 -1.70 -4.71 6.41 8.00 -1.26 -5.05 116.55 116.51 1wi2 n ASP 70 Ca -0.10 -0.01 -0.27 0.00 0.71 0.00 0.00 54.79 55.12 1wi2 n ASP 70 Cb 0.58 -0.75 -0.07 0.00 -0.02 0.00 0.00 41.12 40.86 1wi2 n ASP 70 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wi2 s VAL 71 N -2.48 4.01 -0.46 2.53 1.01 0.56 -5.09 120.40 120.48 1wi2 s VAL 71 Ca 0.01 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 60.64 1wi2 s VAL 71 Cb -0.01 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.47 1wi2 s VAL 71 CO 0.02 -0.07 0.35 -0.62 0.00 0.00 0.00 175.10 174.77 1wi2 s ASP 72 N -2.88 5.79 0.12 3.32 -1.08 -1.26 -2.12 116.67 118.56 1wi2 s ASP 72 Ca 0.28 -1.72 0.15 0.00 -0.52 0.00 0.00 52.55 50.74 1wi2 s ASP 72 Cb -0.10 -2.05 -0.09 0.00 -1.46 0.00 0.00 42.92 39.22 1wi2 s ASP 72 CO 0.20 -0.67 1.04 -0.26 0.52 0.00 0.00 175.17 176.00 1wi2 h PHE 73 N 8.53 0.00 -1.12 -5.34 -1.00 -1.78 -3.35 116.94 112.87 1wi2 h PHE 73 Ca -0.24 0.00 0.42 0.00 2.81 0.00 0.00 57.97 60.96 1wi2 h PHE 73 Cb 1.08 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.50 1wi2 h PHE 73 CO 0.64 0.62 0.68 1.04 -1.61 0.00 0.00 178.31 179.68 1wi2 n GLN 74 N -3.04 -0.04 -3.24 1.51 6.02 -1.25 -1.85 117.38 115.49 1wi2 n GLN 74 Ca -0.06 1.22 -0.24 0.00 -0.01 0.00 0.00 57.00 57.91 1wi2 n GLN 74 Cb 0.83 -2.30 -0.07 0.00 1.02 0.00 0.00 30.24 29.72 1wi2 n GLN 74 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wi2 n ASP 75 N -4.80 -0.21 -4.30 1.08 9.92 -1.26 -3.45 116.55 113.54 1wi2 n ASP 75 Ca 0.36 -2.61 -0.16 0.00 -0.53 0.00 0.00 54.79 51.86 1wi2 n ASP 75 Cb 1.34 -0.49 -0.10 0.00 -0.64 0.00 0.00 41.12 41.23 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 -0.68 1.17 -0.06 0.53 2.07 -0.77 -5.01 121.20 118.45 1wi2 s ILE 76 Ca 0.34 -2.06 -0.23 0.00 -1.41 0.00 0.00 60.65 57.29 1wi2 s ILE 76 Cb 0.13 -2.08 -0.04 0.00 0.13 0.00 0.00 42.46 40.59 1wi2 s ILE 76 CO -0.14 -0.55 0.68 -1.61 -1.91 0.00 0.00 174.94 171.41 1wi2 s GLU 77 N -3.79 4.43 0.27 3.50 8.01 -1.26 -4.17 118.70 125.68 1wi2 s GLU 77 Ca 0.22 0.85 -0.09 0.00 0.01 0.00 0.00 54.97 55.97 1wi2 s GLU 77 Cb 0.04 -3.44 0.42 0.00 -4.31 0.00 0.00 34.13 26.84 1wi2 s GLU 77 CO 0.05 0.10 1.51 1.58 0.01 0.00 0.00 175.26 178.51 1wi2 n HIS 78 N 3.67 0.31 -0.18 1.61 -0.00 -1.26 0.19 115.22 119.56 1wi2 n HIS 78 Ca -0.02 1.19 -0.02 0.00 -0.00 0.00 0.00 57.72 58.86 1wi2 n HIS 78 Cb 0.51 -1.04 0.08 0.00 -0.00 0.00 0.00 29.99 29.54 1wi2 n HIS 78 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1wi2 h SER 79 N 0.00 0.28 -0.31 0.26 0.87 -1.98 0.26 113.55 112.93 1wi2 h SER 79 Ca 0.45 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 61.03 1wi2 h SER 79 Cb 0.69 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1wi2 h SER 79 CO -0.99 0.19 0.07 0.50 -0.53 0.00 0.00 176.83 176.06 1wi2 h LYS 80 N 0.44 0.50 -0.46 2.24 1.63 0.16 0.01 116.57 121.09 1wi2 h LYS 80 Ca 0.26 -0.12 0.07 0.00 -0.85 0.00 0.00 60.65 60.01 1wi2 h LYS 80 Cb 0.25 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.75 1wi2 h LYS 80 CO -0.23 0.57 0.10 0.00 -3.45 0.00 0.00 179.45 176.44 1wi2 h ALA 81 N 0.90 0.51 0.00 5.00 0.00 0.18 0.69 119.26 126.55 1wi2 h ALA 81 Ca 0.10 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1wi2 h ALA 81 Cb 0.30 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wi2 h ALA 81 CO 0.00 -0.30 -0.23 0.28 0.00 0.00 0.00 179.25 179.00 1wi2 h VAL 82 N 0.24 1.12 0.37 0.00 2.07 -0.27 -2.63 116.25 117.15 1wi2 h VAL 82 Ca 0.23 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1wi2 h VAL 82 Cb 0.29 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1wi2 h VAL 82 CO -0.29 0.23 -0.18 -0.33 0.02 0.00 0.00 177.57 177.02 1wi2 h GLU 83 N 0.00 -0.48 -0.99 1.57 5.08 0.15 -1.29 114.58 118.61 1wi2 h GLU 83 Ca -0.00 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.64 1wi2 h GLU 83 Cb 0.42 0.11 -0.19 0.00 0.50 0.00 0.00 28.75 29.60 1wi2 h GLU 83 CO 0.03 -0.32 -0.08 0.82 -1.00 0.00 0.00 179.01 178.46 1wi2 h ILE 84 N -1.00 0.01 0.10 3.13 2.04 0.27 0.75 117.51 122.81 1wi2 h ILE 84 Ca -0.05 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1wi2 h ILE 84 Cb 0.38 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1wi2 h ILE 84 CO 0.08 0.00 -0.05 -0.07 0.00 0.00 0.00 178.15 178.12 1wi2 h LEU 85 N 0.00 -0.11 -0.02 1.44 3.38 -1.51 -0.88 115.31 117.61 1wi2 h LEU 85 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1wi2 h LEU 85 Cb 1.05 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1wi2 h LEU 85 CO -0.97 -0.08 -0.01 0.11 0.09 0.00 0.00 178.44 177.58 1wi2 h LYS 86 N -0.14 -0.00 0.00 1.13 1.57 0.11 -2.50 116.57 116.73 1wi2 h LYS 86 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wi2 h LYS 86 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1wi2 h LYS 86 CO 0.02 -0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.15 1wi2 n THR 87 N -2.96 0.00 -1.67 -0.16 -2.24 0.25 -4.12 114.28 103.38 1wi2 n THR 87 Ca 0.00 1.24 -0.47 0.00 -2.27 0.00 0.00 64.05 62.55 1wi2 n THR 87 Cb 0.01 -1.68 -0.04 0.00 -2.10 0.00 0.00 70.33 66.52 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 -2.55 1.04 -0.06 6.98 0.00 -0.33 -4.85 120.51 120.72 1wi2 n ALA 88 Ca 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.61 1wi2 n ALA 88 Cb 0.00 -2.55 -0.01 0.00 0.00 0.00 0.00 19.45 16.89 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 9.75 0.09 -5.05 0.00 0.11 -1.76 -3.39 114.38 114.13 1wi2 h ARG 89 Ca -0.48 -0.01 -0.65 0.00 0.10 0.00 0.00 59.98 58.95 1wi2 h ARG 89 Cb 1.27 -0.02 -0.23 0.00 1.11 0.00 0.00 29.97 32.10 1wi2 h ARG 89 CO 0.95 0.06 -0.64 -1.83 0.10 0.00 0.00 179.97 178.61 1wi2 s GLU 90 N -6.19 3.64 -0.51 0.08 -1.05 -1.26 -4.60 118.70 108.81 1wi2 s GLU 90 Ca -0.13 -0.50 -0.21 0.00 -0.15 0.00 0.00 54.97 53.98 1wi2 s GLU 90 Cb 0.11 -3.19 0.05 0.00 -0.44 0.00 0.00 34.13 30.66 1wi2 s GLU 90 CO 0.69 -0.07 0.73 0.42 0.95 0.00 0.00 175.26 177.98 1wi2 s ILE 91 N 1.26 4.71 -0.80 1.83 1.01 -1.15 -4.92 121.20 123.15 1wi2 s ILE 91 Ca 0.04 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1wi2 s ILE 91 Cb -0.15 -4.36 0.26 0.00 0.01 0.00 0.00 42.46 38.22 1wi2 s ILE 91 CO 0.02 -0.87 0.96 -1.20 0.00 0.00 0.00 174.94 173.84 1wi2 n SER 92 N 6.59 4.57 -4.91 3.58 7.64 -1.26 -1.59 113.62 128.23 1wi2 n SER 92 Ca -0.03 -3.40 -0.27 0.00 1.01 0.00 0.00 58.87 56.17 1wi2 n SER 92 Cb 0.46 -0.88 -0.02 0.00 -1.01 0.00 0.00 64.21 62.76 1wi2 n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wi2 s MET 93 N -2.44 3.58 -0.39 1.43 0.23 -1.26 -2.87 119.30 117.58 1wi2 s MET 93 Ca 0.36 -0.00 -0.09 0.00 -1.03 0.00 0.00 55.69 54.93 1wi2 s MET 93 Cb 0.09 -2.56 0.06 0.00 -1.53 0.00 0.00 34.83 30.89 1wi2 s MET 93 CO 0.01 0.07 0.21 0.50 -2.03 0.00 0.00 175.02 173.78 1wi2 s ARG 94 N -4.08 2.62 0.24 3.16 3.52 0.20 -2.40 118.95 122.21 1wi2 s ARG 94 Ca 0.44 -1.35 0.03 0.00 -0.13 0.00 0.00 55.73 54.72 1wi2 s ARG 94 Cb -0.10 -3.69 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 1wi2 s ARG 94 CO 0.35 -0.85 0.39 0.14 -0.81 0.00 0.00 175.30 174.52 1wi2 s VAL 95 N 1.43 5.23 -0.19 7.11 -7.23 -0.59 -0.57 120.40 125.59 1wi2 s VAL 95 Ca 0.02 -0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 1wi2 s VAL 95 Cb -0.22 -3.82 0.06 0.00 0.56 0.00 0.00 36.38 32.96 1wi2 s VAL 95 CO 0.03 -0.31 0.48 -0.60 -0.31 0.00 0.00 175.10 174.39 1wi2 s ARG 96 N -3.81 0.52 -0.52 4.82 3.52 -1.21 -1.69 118.95 120.59 1wi2 s ARG 96 Ca 0.36 0.78 -0.26 0.00 -0.13 0.00 0.00 55.73 56.48 1wi2 s ARG 96 Cb -0.10 0.16 -0.07 0.00 -1.56 0.00 0.00 34.95 33.38 1wi2 s ARG 96 CO 0.30 -0.11 2.35 0.12 -0.81 0.00 0.00 175.30 177.15 1wi2 s PHE 97 N 0.81 1.14 -0.97 5.12 5.36 -1.26 -4.14 117.98 124.03 1wi2 s PHE 97 Ca -0.04 1.50 -0.01 0.00 -0.96 0.00 0.00 56.93 57.42 1wi2 s PHE 97 Cb -0.05 -3.63 0.31 0.00 -0.34 0.00 0.00 43.02 39.30 1wi2 s PHE 97 CO -0.06 -2.46 1.42 1.19 -1.46 0.00 0.00 175.22 173.85 1wi2 n PHE 98 N 15.71 2.67 -3.19 10.12 3.72 -1.26 -4.90 117.46 140.33 1wi2 n PHE 98 Ca 0.35 -2.89 -0.01 0.00 -0.05 0.00 0.00 57.45 54.86 1wi2 n PHE 98 Cb 0.54 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1wi2 n SER 99 N 0.83 -6.55 -3.93 4.37 7.64 -1.26 -5.00 113.62 109.71 1wi2 n SER 99 Ca 0.32 0.40 -0.09 0.00 1.01 0.00 0.00 58.87 60.50 1wi2 n SER 99 Cb 0.33 -1.60 -0.09 0.00 -1.01 0.00 0.00 64.21 61.84 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 -1.01 0.18 0.86 0.23 0.00 -1.26 -5.13 107.32 101.18 1wi2 s GLY 100 Ca 0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 44.72 44.01 1wi2 s GLY 100 CO 0.02 -0.73 1.12 2.56 0.00 0.00 0.00 173.10 176.06 1wi2 s PRO 101 N -2.84 1.56 -0.48 2.90 0.04 -1.26 -5.05 135.00 129.87 1wi2 s PRO 101 Ca -0.03 0.44 0.03 0.00 0.04 0.00 0.00 61.00 61.48 1wi2 s PRO 101 Cb 0.00 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.81 1wi2 s PRO 101 CO -0.06 -1.94 0.29 0.45 0.04 0.00 0.00 177.00 175.79 1wi2 s SER 102 N -3.98 3.53 0.71 6.66 0.15 -1.26 -4.73 113.70 114.77 1wi2 s SER 102 Ca 0.62 -2.89 -0.16 0.00 0.70 0.00 0.00 55.95 54.22 1wi2 s SER 102 Cb -0.15 -1.06 0.03 0.00 -1.71 0.00 0.00 66.02 63.14 1wi2 s SER 102 CO 0.54 -0.22 1.21 -0.44 1.20 0.00 0.00 173.24 175.52 1wi2 s SER 103 N 0.01 4.37 0.00 5.45 0.01 -1.26 -5.16 113.70 117.12 1wi2 s SER 103 Ca 0.21 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.83 1wi2 s SER 103 Cb -0.17 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1wi2 s SER 103 CO -0.05 -2.15 0.00 0.61 0.41 0.00 0.00 173.24 172.06