#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbs s VAL 2 N 0.00 3.47 -0.04 6.31 1.01 -1.26 -3.96 120.40 125.93 1sbs s VAL 2 Ca 0.00 1.29 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 1sbs s VAL 2 Cb 0.00 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1sbs s VAL 2 CO 0.00 0.23 0.12 0.21 0.00 0.00 0.00 175.10 175.66 1sbs s ASN 3 N -0.06 -0.12 -0.12 3.32 3.84 -0.37 -4.98 114.94 116.46 1sbs s ASN 3 Ca 0.51 0.22 0.01 0.00 0.21 0.00 0.00 52.86 53.81 1sbs s ASN 3 Cb -0.33 0.24 0.02 0.00 -0.55 0.00 0.00 41.25 40.63 1sbs s ASN 3 CO 0.39 -0.06 -0.14 -0.76 -2.79 0.00 0.00 177.10 173.74 1sbs s LEU 4 N -0.00 1.63 -0.23 3.21 1.02 -1.26 -1.10 118.68 121.95 1sbs s LEU 4 Ca -0.01 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.73 1sbs s LEU 4 Cb -0.01 -1.07 0.06 0.00 0.02 0.00 0.00 46.19 45.19 1sbs s LEU 4 CO 0.00 -0.02 -0.07 -0.70 0.02 0.00 0.00 176.35 175.58 1sbs s GLU 5 N 1.20 1.75 0.49 1.70 2.56 -0.22 -3.97 118.70 122.22 1sbs s GLU 5 Ca -0.02 -0.97 -0.10 0.00 0.00 0.00 0.00 54.97 53.87 1sbs s GLU 5 Cb -0.14 -2.56 -0.05 0.00 2.00 0.00 0.00 34.13 33.38 1sbs s GLU 5 CO -0.05 -0.55 0.86 -1.21 -0.56 0.00 0.00 175.26 173.75 1sbs s GLU 6 N 1.38 3.68 0.29 4.30 8.01 -1.26 -1.72 118.70 133.38 1sbs s GLU 6 Ca -0.05 0.51 -0.20 0.00 0.01 0.00 0.00 54.97 55.24 1sbs s GLU 6 Cb -0.18 -2.28 0.02 0.00 -4.31 0.00 0.00 34.13 27.38 1sbs s GLU 6 CO -0.07 -0.25 0.72 -1.54 0.01 0.00 0.00 175.26 174.13 1sbs s SER 7 N -3.69 -0.21 0.00 -0.19 1.04 -0.37 -4.85 113.70 105.43 1sbs s SER 7 Ca 0.52 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1sbs s SER 7 Cb -0.10 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1sbs s SER 7 CO 0.41 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1sbs n GLY 8 N -0.47 0.11 3.64 7.32 0.00 -1.26 -1.84 105.19 112.69 1sbs n GLY 8 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1sbs n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sbs s GLY 9 N -1.83 1.59 0.00 -0.02 0.00 -1.26 -4.72 107.32 101.09 1sbs s GLY 9 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1sbs s GLY 9 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.66 1sbs n GLY 10 N -1.23 -0.49 3.59 0.20 0.00 -0.47 -4.75 105.19 102.03 1sbs n GLY 10 Ca 0.12 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1sbs n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sbs s LEU 11 N 0.00 3.29 0.05 0.99 0.20 -1.26 -1.26 118.68 120.69 1sbs s LEU 11 Ca 0.00 -0.00 0.04 0.00 0.69 0.00 0.00 54.13 54.86 1sbs s LEU 11 Cb 0.00 -1.74 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 1sbs s LEU 11 CO 0.00 0.32 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.57 1sbs s VAL 12 N -0.57 0.94 0.54 1.68 1.01 -0.45 -4.97 120.40 118.58 1sbs s VAL 12 Ca 0.09 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 1sbs s VAL 12 Cb -0.12 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 1sbs s VAL 12 CO 0.02 -0.13 1.00 -1.10 0.00 0.00 0.00 175.10 174.89 1sbs s GLN 13 N -1.33 3.79 0.13 2.72 -0.21 -1.24 -0.79 119.66 122.74 1sbs s GLN 13 Ca -0.02 0.98 -0.35 0.00 0.02 0.00 0.00 55.36 55.99 1sbs s GLN 13 Cb -0.08 -2.11 -0.16 0.00 1.00 0.00 0.00 33.01 31.66 1sbs s GLN 13 CO 0.01 -0.40 1.35 -2.30 -2.12 0.00 0.00 175.29 171.83 1sbs n PRO 14 N -1.79 1.42 0.00 2.91 -0.02 -1.26 -0.88 135.00 135.38 1sbs n PRO 14 Ca 0.07 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1sbs n PRO 14 Cb 0.54 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1sbs n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sbs n GLY 15 N 2.53 1.79 3.86 -1.23 0.00 0.27 -4.89 105.19 107.51 1sbs n GLY 15 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1sbs n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sbs s GLY 16 N -2.41 1.65 0.18 -0.02 0.00 -0.06 -3.67 107.32 103.00 1sbs s GLY 16 Ca 0.00 -0.83 0.11 0.00 0.00 0.00 0.00 44.72 44.01 1sbs s GLY 16 CO 0.00 -0.19 -0.24 -0.56 0.00 0.00 0.00 173.10 172.10 1sbs s SER 17 N -4.49 3.37 -0.27 1.64 0.01 -1.26 -1.84 113.70 110.86 1sbs s SER 17 Ca 0.67 -0.84 -0.25 0.00 1.31 0.00 0.00 55.95 56.84 1sbs s SER 17 Cb -0.09 -0.24 0.07 0.00 0.21 0.00 0.00 66.02 65.97 1sbs s SER 17 CO 0.52 0.13 0.74 -0.32 0.41 0.00 0.00 173.24 174.72 1sbs s MET 18 N -2.54 0.81 -0.13 12.44 0.00 -0.15 -5.00 119.30 124.73 1sbs s MET 18 Ca 0.19 0.98 0.02 0.00 0.00 0.00 0.00 55.69 56.88 1sbs s MET 18 Cb -0.08 0.39 0.00 0.00 0.00 0.00 0.00 34.83 35.14 1sbs s MET 18 CO 0.09 -0.10 -0.21 0.21 0.00 0.00 0.00 175.02 175.01 1sbs s LYS 19 N 0.40 3.10 0.00 4.11 2.20 -1.26 -0.24 119.74 128.05 1sbs s LYS 19 Ca -0.00 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 54.76 1sbs s LYS 19 Cb -0.05 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 1sbs s LYS 19 CO -0.00 0.08 0.17 -0.51 -0.36 0.00 0.00 175.35 174.73 1sbs s LEU 20 N 0.61 4.30 0.19 5.43 1.43 0.33 -4.68 118.68 126.29 1sbs s LEU 20 Ca -0.11 0.30 0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1sbs s LEU 20 Cb -0.16 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1sbs s LEU 20 CO 0.03 0.25 -0.23 -0.44 0.23 0.00 0.00 176.35 176.19 1sbs s SER 21 N -1.99 3.30 -0.17 2.29 0.01 -0.76 -1.31 113.70 115.06 1sbs s SER 21 Ca 0.28 -0.86 -0.04 0.00 1.31 0.00 0.00 55.95 56.63 1sbs s SER 21 Cb -0.13 -0.24 0.08 0.00 0.21 0.00 0.00 66.02 65.95 1sbs s SER 21 CO 0.19 0.10 0.21 0.00 0.41 0.00 0.00 173.24 174.14 1sbs s VAL 23 N 2.32 5.40 0.11 0.00 1.01 -0.70 -0.85 120.40 127.68 1sbs s VAL 23 Ca 0.05 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.34 1sbs s VAL 23 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1sbs s VAL 23 CO -0.10 0.46 0.09 0.00 0.00 0.00 0.00 175.10 175.55 1sbs s ALA 24 N 0.14 3.53 0.14 5.51 0.00 0.82 -1.05 121.76 130.84 1sbs s ALA 24 Ca 0.11 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 1sbs s ALA 24 Cb -0.12 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.64 1sbs s ALA 24 CO 0.00 0.67 0.32 -1.54 0.00 0.00 0.00 175.76 175.20 1sbs s SER 25 N -2.61 -0.04 0.00 0.00 1.04 -0.26 -4.84 113.70 106.99 1sbs s SER 25 Ca 0.29 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1sbs s SER 25 Cb -0.11 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1sbs s SER 25 CO 0.22 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1sbs n GLY 26 N -0.19 0.63 3.64 7.32 0.00 -1.25 -1.23 105.19 114.10 1sbs n GLY 26 Ca -0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1sbs n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sbs s PHE 27 N -2.00 -0.31 -0.84 1.61 -0.71 -1.26 -4.33 117.98 110.14 1sbs s PHE 27 Ca 0.00 0.02 -0.24 0.00 -1.04 0.00 0.00 56.93 55.67 1sbs s PHE 27 Cb 0.00 0.62 0.05 0.00 -1.21 0.00 0.00 43.02 42.48 1sbs s PHE 27 CO 0.00 -0.91 1.27 0.99 -1.34 0.00 0.00 175.22 175.24 1sbs s THR 28 N -3.58 3.98 0.28 -4.49 2.01 -1.26 -4.88 115.64 107.70 1sbs s THR 28 Ca 0.07 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.81 1sbs s THR 28 Cb -0.03 -4.91 0.27 0.00 0.01 0.00 0.00 72.50 67.84 1sbs s THR 28 CO -0.03 -1.79 1.76 0.15 -0.69 0.00 0.00 174.62 174.02 1sbs h PHE 29 N 9.77 0.88 -0.33 4.92 3.57 -1.94 -2.13 116.94 131.68 1sbs h PHE 29 Ca -0.08 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.55 1sbs h PHE 29 Cb 1.04 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1sbs h PHE 29 CO 1.16 0.17 0.35 0.77 -2.23 0.00 0.00 178.31 178.52 1sbs h SER 30 N 0.65 0.00 0.22 0.41 0.02 -1.89 -1.85 113.55 111.10 1sbs h SER 30 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1sbs h SER 30 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1sbs h SER 30 CO -0.40 0.00 -0.13 0.59 -1.14 0.00 0.00 176.83 175.75 1sbs n ASN 31 N -3.79 0.85 -4.35 3.07 5.03 -0.80 -4.70 115.26 110.58 1sbs n ASN 31 Ca 0.05 -0.90 -0.30 0.00 0.87 0.00 0.00 54.58 54.30 1sbs n ASN 31 Cb 0.51 0.02 -0.14 0.00 -1.02 0.00 0.00 39.78 39.14 1sbs n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1sbs s TYR 32 N -2.36 2.30 0.58 3.10 1.51 -0.70 -4.95 117.35 116.83 1sbs s TYR 32 Ca 0.30 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.79 1sbs s TYR 32 Cb 0.20 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1sbs s TYR 32 CO 0.46 0.16 1.07 -1.58 -1.11 0.00 0.00 175.55 174.55 1sbs s TRP 33 N -0.85 2.92 0.14 2.71 0.52 -1.26 -4.82 118.94 118.30 1sbs s TRP 33 Ca 0.12 1.53 0.06 0.00 0.02 0.00 0.00 56.10 57.83 1sbs s TRP 33 Cb -0.10 -3.06 -0.04 0.00 -1.15 0.00 0.00 33.47 29.12 1sbs s TRP 33 CO 0.03 -1.16 -0.14 -1.64 0.02 0.00 0.00 176.95 174.06 1sbs s MET 34 N -3.84 1.09 0.21 4.98 -1.94 -0.70 -0.99 119.30 118.10 1sbs s MET 34 Ca 0.65 -1.33 0.02 0.00 -1.71 0.00 0.00 55.69 53.32 1sbs s MET 34 Cb -0.17 -0.91 -0.05 0.00 2.01 0.00 0.00 34.83 35.71 1sbs s MET 34 CO 0.33 0.16 0.04 -0.80 -0.01 0.00 0.00 175.02 174.75 1sbs s ASN 35 N -2.70 1.18 -0.07 3.03 0.01 -0.10 -0.83 114.94 115.47 1sbs s ASN 35 Ca 0.12 -1.26 0.03 0.00 -0.71 0.00 0.00 52.86 51.04 1sbs s ASN 35 Cb -0.03 0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.78 1sbs s ASN 35 CO 0.03 -0.64 -0.17 0.26 -1.51 0.00 0.00 177.10 175.08 1sbs s TRP 36 N -3.71 1.82 0.02 2.20 0.52 -0.56 -1.05 118.94 118.17 1sbs s TRP 36 Ca 0.30 -0.67 0.05 0.00 0.02 0.00 0.00 56.10 55.81 1sbs s TRP 36 Cb 0.07 -1.26 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 1sbs s TRP 36 CO 0.08 -0.29 -0.16 0.08 0.02 0.00 0.00 176.95 176.68 1sbs s VAL 37 N 0.43 1.30 0.22 4.03 1.01 0.22 -1.45 120.40 126.16 1sbs s VAL 37 Ca -0.13 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1sbs s VAL 37 Cb -0.15 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1sbs s VAL 37 CO 0.05 0.21 -0.12 0.00 0.00 0.00 0.00 175.10 175.24 1sbs s ARG 38 N -0.79 1.39 -0.02 2.72 1.70 0.76 -0.07 118.95 124.64 1sbs s ARG 38 Ca 0.05 -1.64 -0.00 0.00 -0.47 0.00 0.00 55.73 53.67 1sbs s ARG 38 Cb -0.07 -1.14 0.02 0.00 -0.57 0.00 0.00 34.95 33.19 1sbs s ARG 38 CO 0.00 0.15 0.03 -1.14 -1.08 0.00 0.00 175.30 173.27 1sbs s GLN 39 N -3.66 -0.02 0.05 3.89 0.74 -0.12 -0.07 119.66 120.46 1sbs s GLN 39 Ca 0.24 0.16 -0.03 0.00 0.05 0.00 0.00 55.36 55.78 1sbs s GLN 39 Cb 0.00 -0.20 -0.02 0.00 1.10 0.00 0.00 33.01 33.89 1sbs s GLN 39 CO 0.08 -0.14 0.04 -1.54 -0.55 0.00 0.00 175.29 173.19 1sbs s SER 40 N 0.86 0.31 0.25 6.67 1.04 -0.88 -1.36 113.70 120.60 1sbs s SER 40 Ca -0.07 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.59 1sbs s SER 40 Cb -0.10 0.22 0.43 0.00 0.10 0.00 0.00 66.02 66.66 1sbs s SER 40 CO -0.03 -0.55 1.83 -0.65 0.98 0.00 0.00 173.24 174.82 1sbs h PRO 41 N 3.44 0.87 0.00 4.02 0.11 -1.94 0.25 132.00 138.75 1sbs h PRO 41 Ca -0.33 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.53 1sbs h PRO 41 Cb 1.17 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1sbs h PRO 41 CO 0.57 0.58 -0.91 1.05 -0.21 0.00 0.00 178.00 179.08 1sbs h GLU 42 N 0.90 0.00 -0.00 1.05 9.09 -1.98 -3.35 114.58 120.28 1sbs h GLU 42 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1sbs h GLU 42 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1sbs h GLU 42 CO -0.23 0.91 -0.16 1.63 0.05 0.00 0.00 179.01 181.21 1sbs n LYS 43 N -3.41 3.48 0.00 1.06 5.02 -1.19 -5.11 118.16 118.01 1sbs n LYS 43 Ca -0.00 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1sbs n LYS 43 Cb 0.88 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1sbs n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sbs n GLY 44 N 0.85 0.77 3.74 0.72 0.00 0.88 -4.69 105.19 107.46 1sbs n GLY 44 Ca 0.02 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1sbs n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sbs s LEU 45 N 0.00 4.40 -0.07 0.99 1.43 -1.26 -2.07 118.68 122.11 1sbs s LEU 45 Ca 0.00 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1sbs s LEU 45 Cb 0.00 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 43.12 1sbs s LEU 45 CO 0.00 -0.00 -0.09 -1.61 0.23 0.00 0.00 176.35 174.88 1sbs s GLU 46 N 0.16 1.37 0.09 1.70 2.02 0.90 -4.97 118.70 119.97 1sbs s GLU 46 Ca 0.37 -0.27 -0.30 0.00 0.02 0.00 0.00 54.97 54.78 1sbs s GLU 46 Cb -0.19 -1.27 -0.06 0.00 0.10 0.00 0.00 34.13 32.71 1sbs s GLU 46 CO 0.20 -0.08 1.20 -0.46 0.02 0.00 0.00 175.26 176.15 1sbs s TRP 47 N 1.01 3.44 -0.22 1.61 -0.00 -1.26 -0.17 118.94 123.35 1sbs s TRP 47 Ca -0.09 1.32 -0.09 0.00 -0.00 0.00 0.00 56.10 57.24 1sbs s TRP 47 Cb -0.15 -3.43 -0.10 0.00 -0.00 0.00 0.00 33.47 29.80 1sbs s TRP 47 CO -0.00 -1.28 -0.27 0.28 -0.00 0.00 0.00 176.95 175.68 1sbs n VAL 48 N 3.59 1.20 -3.51 5.86 0.31 -0.53 -4.52 118.33 120.73 1sbs n VAL 48 Ca 0.08 -0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 63.99 1sbs n VAL 48 Cb 0.46 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.65 1sbs n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sbs s ALA 49 N -2.40 -1.67 0.19 3.52 0.00 -1.15 -0.40 121.76 119.84 1sbs s ALA 49 Ca -0.30 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1sbs s ALA 49 Cb 0.11 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 1sbs s ALA 49 CO 0.40 -0.78 0.05 0.16 0.00 0.00 0.00 175.76 175.60 1sbs s ASP 50 N -2.67 0.91 -0.12 0.00 -4.77 -0.56 -1.50 116.67 107.96 1sbs s ASP 50 Ca 0.04 -1.26 -0.07 0.00 -3.30 0.00 0.00 52.55 47.95 1sbs s ASP 50 Cb -0.01 0.20 0.05 0.00 -1.09 0.00 0.00 42.92 42.06 1sbs s ASP 50 CO -0.09 -0.68 0.30 -0.51 0.70 0.00 0.00 175.17 174.90 1sbs s ILE 51 N -3.82 -0.03 0.00 2.11 2.07 -0.01 -2.45 121.20 119.08 1sbs s ILE 51 Ca 0.30 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 1sbs s ILE 51 Cb 0.07 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 42.21 1sbs s ILE 51 CO 0.07 0.04 0.00 0.54 -1.91 0.00 0.00 174.94 173.68 1sbs n ARG 52 N 3.94 3.11 -2.73 3.50 1.74 -0.05 -1.72 116.66 124.45 1sbs n ARG 52 Ca -0.22 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.65 1sbs n ARG 52 Cb 0.55 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.02 1sbs n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sbs s LEU 53 N 0.00 3.37 0.31 0.55 1.43 -1.26 -4.55 118.68 118.52 1sbs s LEU 53 Ca 0.00 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1sbs s LEU 53 Cb 0.00 -2.89 0.61 0.00 0.03 0.00 0.00 46.19 43.94 1sbs s LEU 53 CO 0.00 -1.04 1.87 0.50 0.23 0.00 0.00 176.35 177.91 1sbs h LYS 54 N 0.18 0.91 0.00 1.70 3.64 -1.94 0.17 116.57 121.22 1sbs h LYS 54 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1sbs h LYS 54 Cb 1.29 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1sbs h LYS 54 CO 0.52 0.60 0.00 -1.13 -2.27 0.00 0.00 179.45 177.17 1sbs n SER 55 N -4.56 0.00 -1.21 4.20 3.41 -1.26 -1.61 113.62 112.58 1sbs n SER 55 Ca 0.17 0.24 0.08 0.00 -0.26 0.00 0.00 58.87 59.10 1sbs n SER 55 Cb 0.33 -0.39 0.29 0.00 -0.26 0.00 0.00 64.21 64.19 1sbs n SER 55 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sbs n ASN 56 N -1.39 4.20 -3.33 4.04 5.03 0.37 -4.93 115.26 119.26 1sbs n ASN 56 Ca 0.07 -2.55 -0.24 0.00 0.87 0.00 0.00 54.58 52.74 1sbs n ASN 56 Cb 0.19 -0.50 0.05 0.00 -1.02 0.00 0.00 39.78 38.50 1sbs n ASN 56 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1sbs n ASN 57 N 0.50 -5.99 -4.00 6.41 4.05 -0.64 -2.07 115.26 113.52 1sbs n ASN 57 Ca 0.22 -0.43 -0.29 0.00 0.45 0.00 0.00 54.58 54.53 1sbs n ASN 57 Cb 0.81 -4.79 -0.01 0.00 1.23 0.00 0.00 39.78 37.03 1sbs n ASN 57 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1sbs n TYR 58 N -4.68 -1.84 -1.73 1.20 4.01 0.06 -4.85 117.16 109.34 1sbs n TYR 58 Ca -0.05 0.81 -0.42 0.00 -0.16 0.00 0.00 57.90 58.07 1sbs n TYR 58 Cb 0.59 -3.63 -0.01 0.00 -0.31 0.00 0.00 39.34 35.97 1sbs n TYR 58 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sbs n ALA 59 N -4.44 1.95 -2.45 -0.72 0.00 -0.88 -4.36 120.51 109.61 1sbs n ALA 59 Ca -0.13 0.37 -0.27 0.00 0.00 0.00 0.00 53.44 53.42 1sbs n ALA 59 Cb 0.60 -2.37 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 1sbs n ALA 59 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sbs s THR 60 N -0.53 2.01 0.03 0.00 -4.23 -1.26 -0.87 115.64 110.78 1sbs s THR 60 Ca 0.60 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1sbs s THR 60 Cb -0.54 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 1sbs s THR 60 CO 0.56 0.05 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.85 1sbs s LEU 61 N -1.91 2.21 0.13 4.79 1.43 -1.02 -4.98 118.68 119.32 1sbs s LEU 61 Ca 0.10 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 1sbs s LEU 61 Cb -0.10 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 1sbs s LEU 61 CO 0.05 -0.16 -0.10 -0.31 0.23 0.00 0.00 176.35 176.06 1sbs s TYR 62 N -1.16 1.20 0.48 0.29 2.02 -1.26 -1.49 117.35 117.42 1sbs s TYR 62 Ca -0.08 -0.71 -0.21 0.00 -0.37 0.00 0.00 57.07 55.69 1sbs s TYR 62 Cb -0.09 -0.63 -0.08 0.00 -0.40 0.00 0.00 41.96 40.77 1sbs s TYR 62 CO 0.00 0.05 1.08 0.00 -1.57 0.00 0.00 175.55 175.12 1sbs s ALA 63 N -2.96 2.88 0.28 3.71 0.00 0.46 -4.89 121.76 121.25 1sbs s ALA 63 Ca 0.12 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1sbs s ALA 63 Cb 0.00 -3.30 0.57 0.00 0.00 0.00 0.00 23.12 20.39 1sbs s ALA 63 CO 0.00 -0.46 1.82 0.93 0.00 0.00 0.00 175.76 178.06 1sbs h GLU 64 N 1.72 0.92 0.00 0.00 4.39 -1.94 -2.15 114.58 117.52 1sbs h GLU 64 Ca -0.49 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1sbs h GLU 64 Cb 1.23 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1sbs h GLU 64 CO 0.59 0.61 0.00 0.66 -1.16 0.00 0.00 179.01 179.71 1sbs h SER 65 N 0.95 0.00 0.00 1.42 4.64 -1.97 -3.02 113.55 115.57 1sbs h SER 65 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1sbs h SER 65 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1sbs h SER 65 CO -0.28 0.00 -0.24 1.33 -0.87 0.00 0.00 176.83 176.77 1sbs n VAL 66 N -2.95 0.00 -1.69 0.95 0.24 -0.86 -4.98 118.33 109.05 1sbs n VAL 66 Ca -0.02 -0.39 -0.44 0.00 -2.04 0.00 0.00 64.34 61.45 1sbs n VAL 66 Cb 0.09 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.41 1sbs n VAL 66 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1sbs n LYS 67 N -1.12 2.24 0.00 7.34 4.81 -0.92 -0.79 118.16 129.72 1sbs n LYS 67 Ca 0.01 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1sbs n LYS 67 Cb 0.07 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 32.60 1sbs n LYS 67 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sbs n GLY 68 N 2.49 2.60 0.03 3.14 0.00 -1.26 -4.76 105.19 107.44 1sbs n GLY 68 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 1sbs n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sbs n ARG 69 N -2.00 2.01 -4.33 1.61 1.74 0.03 -5.02 116.66 110.69 1sbs n ARG 69 Ca 0.00 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 1sbs n ARG 69 Cb 0.00 -1.15 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 1sbs n ARG 69 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1sbs s PHE 70 N -2.15 2.89 -0.10 -1.55 0.40 -0.66 -0.87 117.98 115.94 1sbs s PHE 70 Ca -0.06 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1sbs s PHE 70 Cb 0.02 -1.56 0.02 0.00 0.51 0.00 0.00 43.02 42.01 1sbs s PHE 70 CO 0.22 0.41 -0.11 0.99 0.70 0.00 0.00 175.22 177.43 1sbs s THR 71 N -1.11 1.20 -0.12 0.64 2.01 0.59 -4.87 115.64 113.98 1sbs s THR 71 Ca 0.20 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1sbs s THR 71 Cb -0.11 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1sbs s THR 71 CO 0.11 0.39 0.19 -0.51 -0.69 0.00 0.00 174.62 174.11 1sbs s ILE 72 N 1.21 5.40 0.14 1.82 2.07 -1.26 -0.31 121.20 130.28 1sbs s ILE 72 Ca -0.03 0.34 -0.10 0.00 -1.41 0.00 0.00 60.65 59.44 1sbs s ILE 72 Cb -0.14 -3.48 -0.00 0.00 0.13 0.00 0.00 42.46 38.97 1sbs s ILE 72 CO -0.03 0.56 0.28 -0.94 -1.91 0.00 0.00 174.94 172.90 1sbs s SER 73 N -0.64 0.02 0.04 4.50 1.04 -0.95 -4.99 113.70 112.72 1sbs s SER 73 Ca 0.15 -0.74 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 1sbs s SER 73 Cb -0.13 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1sbs s SER 73 CO 0.04 -0.85 -0.01 0.00 0.98 0.00 0.00 173.24 173.40 1sbs s ARG 74 N -3.92 0.52 -0.29 4.02 1.70 -1.26 -0.36 118.95 119.36 1sbs s ARG 74 Ca 0.12 -0.99 -0.01 0.00 -0.47 0.00 0.00 55.73 54.38 1sbs s ARG 74 Cb 0.03 0.19 0.09 0.00 -0.57 0.00 0.00 34.95 34.69 1sbs s ARG 74 CO -0.04 -0.10 0.09 0.34 -1.08 0.00 0.00 175.30 174.51 1sbs s ASP 75 N -2.41 3.81 0.31 -2.89 -1.08 -0.27 -5.01 116.67 109.13 1sbs s ASP 75 Ca -0.01 -1.47 0.03 0.00 -0.52 0.00 0.00 52.55 50.58 1sbs s ASP 75 Cb 0.02 -0.78 0.50 0.00 -1.46 0.00 0.00 42.92 41.19 1sbs s ASP 75 CO -0.07 -0.40 1.80 0.44 0.52 0.00 0.00 175.17 177.46 1sbs h ASP 76 N 8.14 0.51 0.11 -0.34 3.32 -1.96 -1.48 116.42 124.72 1sbs h ASP 76 Ca -0.15 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1sbs h ASP 76 Cb 1.03 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 1sbs h ASP 76 CO 0.45 0.66 -0.09 0.77 -1.72 0.00 0.00 179.24 179.31 1sbs h SER 77 N 0.49 0.00 -0.12 6.45 4.64 -1.96 -0.31 113.55 122.74 1sbs h SER 77 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1sbs h SER 77 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1sbs h SER 77 CO 0.03 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1sbs n LYS 78 N -4.30 2.31 -3.93 4.77 5.02 -0.87 -4.97 118.16 116.19 1sbs n LYS 78 Ca -0.03 -1.99 -0.30 0.00 -2.02 0.00 0.00 58.31 53.97 1sbs n LYS 78 Cb 0.17 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 1sbs n LYS 78 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1sbs n SER 79 N 1.36 -4.46 -4.24 4.39 7.64 -0.13 -4.69 113.62 113.49 1sbs n SER 79 Ca 0.15 -0.81 -0.23 0.00 1.01 0.00 0.00 58.87 59.00 1sbs n SER 79 Cb 0.59 -3.78 -0.13 0.00 -1.01 0.00 0.00 64.21 59.88 1sbs n SER 79 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1sbs s SER 80 N -3.37 2.24 0.09 6.43 0.01 -0.78 -0.13 113.70 118.20 1sbs s SER 80 Ca 0.63 -0.61 0.10 0.00 1.31 0.00 0.00 55.95 57.38 1sbs s SER 80 Cb -0.32 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1sbs s SER 80 CO 0.84 0.05 -0.24 0.68 0.41 0.00 0.00 173.24 174.98 1sbs s VAL 81 N -1.07 2.41 0.19 3.43 -7.23 -0.03 -1.12 120.40 116.99 1sbs s VAL 81 Ca 0.04 -1.53 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 1sbs s VAL 81 Cb -0.09 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1sbs s VAL 81 CO 0.03 0.21 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.67 1sbs s TYR 82 N -0.98 1.43 -0.23 2.82 2.02 0.51 -0.38 117.35 122.54 1sbs s TYR 82 Ca 0.14 -0.85 -0.04 0.00 -0.37 0.00 0.00 57.07 55.95 1sbs s TYR 82 Cb -0.10 -0.79 0.08 0.00 -0.40 0.00 0.00 41.96 40.75 1sbs s TYR 82 CO 0.05 0.01 0.09 -1.17 -1.57 0.00 0.00 175.55 172.97 1sbs s LEU 83 N -3.24 0.73 -0.38 -1.29 0.20 -0.43 -2.23 118.68 112.04 1sbs s LEU 83 Ca 0.23 -0.97 -0.16 0.00 0.69 0.00 0.00 54.13 53.92 1sbs s LEU 83 Cb 0.04 -0.40 0.00 0.00 -0.43 0.00 0.00 46.19 45.41 1sbs s LEU 83 CO 0.05 -0.38 0.40 -1.58 -0.29 0.00 0.00 176.35 174.56 1sbs s GLN 84 N 2.03 3.37 -0.17 1.98 -0.44 0.58 -0.51 119.66 126.50 1sbs s GLN 84 Ca 0.05 -0.54 -0.05 0.00 -2.50 0.00 0.00 55.36 52.32 1sbs s GLN 84 Cb -0.16 -3.87 -0.03 0.00 -1.64 0.00 0.00 33.01 27.31 1sbs s GLN 84 CO -0.20 -0.67 -0.01 -1.64 0.50 0.00 0.00 175.29 173.27 1sbs s MET 85 N 2.09 3.72 0.32 1.67 -1.94 0.66 -0.30 119.30 125.52 1sbs s MET 85 Ca 0.12 -0.49 0.10 0.00 -1.71 0.00 0.00 55.69 53.72 1sbs s MET 85 Cb -0.17 -3.00 -0.05 0.00 2.01 0.00 0.00 34.83 33.62 1sbs s MET 85 CO 0.13 0.20 -0.06 -0.80 -0.01 0.00 0.00 175.02 174.48 1sbs s ASN 86 N 0.49 4.01 -1.30 3.03 0.01 -0.05 -0.98 114.94 120.15 1sbs s ASN 86 Ca -0.02 -0.99 -0.11 0.00 -0.71 0.00 0.00 52.86 51.04 1sbs s ASN 86 Cb -0.14 -0.49 0.00 0.00 0.41 0.00 0.00 41.25 41.04 1sbs s ASN 86 CO 0.02 -0.13 0.55 0.59 -1.51 0.00 0.00 177.10 176.62 1sbs n ASN 87 N -0.84 -2.30 -4.77 -1.22 5.03 -0.97 -4.72 115.26 105.47 1sbs n ASN 87 Ca -0.05 -1.05 -0.38 0.00 0.87 0.00 0.00 54.58 53.97 1sbs n ASN 87 Cb 0.62 -2.97 -0.02 0.00 -1.02 0.00 0.00 39.78 36.38 1sbs n ASN 87 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1sbs s LEU 88 N -6.87 4.19 0.24 3.41 1.43 -0.77 -4.58 118.68 115.73 1sbs s LEU 88 Ca 0.21 2.30 0.09 0.00 -1.03 0.00 0.00 54.13 55.70 1sbs s LEU 88 Cb -0.08 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.05 1sbs s LEU 88 CO 0.89 -0.64 -0.15 -0.13 0.23 0.00 0.00 176.35 176.56 1sbs s ARG 89 N -2.31 1.47 0.29 1.70 0.52 -1.26 0.93 118.95 120.30 1sbs s ARG 89 Ca 0.57 -1.68 0.04 0.00 -0.52 0.00 0.00 55.73 54.14 1sbs s ARG 89 Cb -0.29 -1.32 0.71 0.00 0.52 0.00 0.00 34.95 34.56 1sbs s ARG 89 CO 0.37 0.20 1.74 0.00 0.02 0.00 0.00 175.30 177.63 1sbs h ALA 90 N 2.42 1.52 0.00 2.13 0.00 -1.97 0.12 119.26 123.48 1sbs h ALA 90 Ca -0.39 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sbs h ALA 90 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1sbs h ALA 90 CO 0.62 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 180.09 1sbs n GLU 91 N -4.89 0.23 0.00 0.00 4.71 -1.26 -1.90 120.64 117.53 1sbs n GLU 91 Ca 0.22 0.13 0.14 0.00 -0.01 0.00 0.00 57.16 57.64 1sbs n GLU 91 Cb 0.59 -1.50 0.52 0.00 -1.01 0.00 0.00 31.44 30.04 1sbs n GLU 91 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1sbs n ASP 92 N -1.24 1.24 -4.77 1.62 8.00 0.42 -4.89 116.55 116.93 1sbs n ASP 92 Ca 0.07 -1.28 -0.41 0.00 0.71 0.00 0.00 54.79 53.88 1sbs n ASP 92 Cb 0.10 0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 1sbs n ASP 92 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sbs s THR 93 N -2.14 2.39 -5.00 -3.53 2.01 -0.80 -4.88 115.64 103.69 1sbs s THR 93 Ca 0.35 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1sbs s THR 93 Cb 0.21 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1sbs s THR 93 CO 0.39 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1sbs n GLY 94 N 1.10 -1.53 3.70 4.40 0.00 -0.45 -4.76 105.19 107.64 1sbs n GLY 94 Ca 0.03 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 1sbs n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sbs s ILE 95 N -2.31 5.35 -0.18 -0.61 1.09 -0.46 -0.43 121.20 123.64 1sbs s ILE 95 Ca 0.00 0.29 -0.05 0.00 -1.10 0.00 0.00 60.65 59.79 1sbs s ILE 95 Cb 0.00 -3.53 -0.03 0.00 -1.06 0.00 0.00 42.46 37.84 1sbs s ILE 95 CO 0.00 0.38 -0.00 -0.31 -0.10 0.00 0.00 174.94 174.91 1sbs s TYR 96 N 0.74 3.07 -0.10 3.97 1.51 0.11 -0.94 117.35 125.71 1sbs s TYR 96 Ca 0.10 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1sbs s TYR 96 Cb -0.13 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1sbs s TYR 96 CO 0.02 -0.08 -0.09 0.71 -1.11 0.00 0.00 175.55 175.00 1sbs s TYR 97 N 0.63 2.89 0.03 2.71 2.02 0.89 -0.99 117.35 125.52 1sbs s TYR 97 Ca -0.01 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.36 1sbs s TYR 97 Cb -0.14 -1.78 -0.06 0.00 -0.40 0.00 0.00 41.96 39.59 1sbs s TYR 97 CO 0.02 0.11 0.38 0.00 -1.57 0.00 0.00 175.55 174.50 1sbs s THR 99 N -1.25 0.76 -0.09 0.00 -4.23 -0.22 -1.45 115.64 109.16 1sbs s THR 99 Ca 0.28 -1.07 -0.19 0.00 -1.18 0.00 0.00 61.69 59.54 1sbs s THR 99 Cb -0.15 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 1sbs s THR 99 CO 0.15 -0.25 0.51 -0.60 -0.54 0.00 0.00 174.62 173.89 1sbs s ARG 100 N -1.46 4.31 0.29 3.99 3.52 0.03 -0.92 118.95 128.71 1sbs s ARG 100 Ca -0.05 0.53 -0.28 0.00 -0.13 0.00 0.00 55.73 55.80 1sbs s ARG 100 Cb -0.09 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.80 1sbs s ARG 100 CO 0.01 0.23 0.94 0.20 -0.81 0.00 0.00 175.30 175.87 1sbs s GLY 101 N 0.36 2.92 0.56 8.12 0.00 -0.16 -1.47 107.32 117.66 1sbs s GLY 101 Ca 0.28 0.56 -0.20 0.00 0.00 0.00 0.00 44.72 45.36 1sbs s GLY 101 CO 0.12 1.05 1.06 0.00 0.00 0.00 0.00 173.10 175.34 1sbs n ALA 102 N 0.91 0.50 -0.04 3.20 0.00 -0.17 -4.43 120.51 120.47 1sbs n ALA 102 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1sbs n ALA 102 Cb 0.49 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 1sbs n ALA 102 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sbs h TYR 103 N 0.87 0.01 -2.49 0.00 3.20 -1.92 -3.44 116.97 113.20 1sbs h TYR 103 Ca -0.48 0.01 -0.58 0.00 3.14 0.00 0.00 58.73 60.83 1sbs h TYR 103 Cb 1.35 0.03 0.07 0.00 1.54 0.00 0.00 36.73 39.71 1sbs h TYR 103 CO 0.40 -0.02 0.76 0.98 -1.64 0.00 0.00 178.16 178.64 1sbs n TYR 104 N -5.13 2.31 -0.34 -3.82 9.36 -1.26 -4.86 117.16 113.42 1sbs n TYR 104 Ca -0.02 0.30 0.22 0.00 3.32 0.00 0.00 57.90 61.72 1sbs n TYR 104 Cb 0.11 -2.53 0.45 0.00 -0.63 0.00 0.00 39.34 36.74 1sbs n TYR 104 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1sbs h ARG 105 N 5.38 0.39 -0.30 2.98 9.65 -2.01 -1.77 114.38 128.71 1sbs h ARG 105 Ca -0.45 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1sbs h ARG 105 Cb 1.25 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1sbs h ARG 105 CO 0.85 0.26 0.00 0.66 2.80 0.00 0.00 179.97 184.54 1sbs n TYR 106 N -4.99 0.39 -2.94 2.20 4.01 -1.26 -4.82 117.16 109.75 1sbs n TYR 106 Ca 0.30 -0.28 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 1sbs n TYR 106 Cb 0.91 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.89 1sbs n TYR 106 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1sbs s ASP 107 N -1.18 6.28 0.00 7.72 -1.08 -0.66 -4.88 116.67 122.87 1sbs s ASP 107 Ca 0.28 -0.61 0.24 0.00 -0.52 0.00 0.00 52.55 51.94 1sbs s ASP 107 Cb 0.16 -2.39 0.70 0.00 -1.46 0.00 0.00 42.92 39.94 1sbs s ASP 107 CO 0.23 -1.15 1.54 -1.22 0.52 0.00 0.00 175.17 175.09 1sbs n TYR 108 N 7.08 0.17 -1.41 -5.34 4.01 -1.26 -4.00 117.16 116.41 1sbs n TYR 108 Ca -0.02 -0.09 -0.36 0.00 -0.16 0.00 0.00 57.90 57.28 1sbs n TYR 108 Cb 0.46 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.58 1sbs n TYR 108 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sbs n ALA 109 N 0.62 -0.01 -3.42 -0.72 0.00 -1.26 -4.58 120.51 111.14 1sbs n ALA 109 Ca 0.17 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 1sbs n ALA 109 Cb 0.42 -2.15 -0.09 0.00 0.00 0.00 0.00 19.45 17.63 1sbs n ALA 109 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sbs s MET 110 N -3.35 2.57 0.17 0.00 -1.94 -1.26 -1.00 119.30 114.49 1sbs s MET 110 Ca 0.75 -1.65 0.24 0.00 -1.71 0.00 0.00 55.69 53.33 1sbs s MET 110 Cb -0.35 -3.91 0.42 0.00 2.01 0.00 0.00 34.83 32.99 1sbs s MET 110 CO 0.49 -1.12 1.42 0.38 -0.01 0.00 0.00 175.02 176.17 1sbs h ASP 111 N 8.48 0.00 -3.64 3.03 2.03 -1.57 -3.46 116.42 121.30 1sbs h ASP 111 Ca -0.23 -0.13 -0.23 0.00 -0.73 0.00 0.00 57.03 55.71 1sbs h ASP 111 Cb 1.08 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 39.28 1sbs h ASP 111 CO 0.84 0.07 -0.64 -0.31 -1.03 0.00 0.00 179.24 178.17 1sbs s TYR 112 N -3.17 -0.09 0.04 4.15 2.02 -1.25 -4.99 117.35 114.06 1sbs s TYR 112 Ca 0.07 0.26 0.08 0.00 -0.37 0.00 0.00 57.07 57.11 1sbs s TYR 112 Cb 0.12 -0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.61 1sbs s TYR 112 CO 0.70 -0.08 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.80 1sbs s TRP 113 N 0.50 1.89 0.43 2.71 0.52 -1.26 -0.79 118.94 122.94 1sbs s TRP 113 Ca -0.04 -0.38 -0.07 0.00 0.02 0.00 0.00 56.10 55.63 1sbs s TRP 113 Cb -0.05 -1.13 0.10 0.00 -1.15 0.00 0.00 33.47 31.24 1sbs s TRP 113 CO -0.02 0.09 0.54 0.41 0.02 0.00 0.00 176.95 177.99 1sbs n GLY 114 N 1.86 -1.55 0.11 0.98 0.00 -0.53 -4.74 105.19 101.31 1sbs n GLY 114 Ca -0.17 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.33 1sbs n GLY 114 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1sbs h GLN 115 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.45 115.11 111.36 1sbs h GLN 115 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1sbs h GLN 115 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.98 1sbs h GLN 115 CO 0.12 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.36 1sbs n GLY 116 N 1.29 0.17 3.03 0.06 0.00 -1.26 -5.01 105.19 103.46 1sbs n GLY 116 Ca 0.05 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.26 1sbs n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sbs s THR 117 N -2.89 0.76 -0.04 2.61 2.01 -0.16 -4.82 115.64 113.11 1sbs s THR 117 Ca 0.00 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 1sbs s THR 117 Cb 0.00 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 1sbs s THR 117 CO 0.00 0.22 0.59 -0.55 -0.69 0.00 0.00 174.62 174.19 1sbs s SER 118 N -0.14 6.92 -0.14 3.53 0.15 -1.26 0.06 113.70 122.81 1sbs s SER 118 Ca 0.02 1.10 0.03 0.00 0.70 0.00 0.00 55.95 57.80 1sbs s SER 118 Cb -0.05 -2.36 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1sbs s SER 118 CO -0.00 0.04 -0.22 -0.69 1.20 0.00 0.00 173.24 173.57 1sbs s VAL 119 N 0.17 2.06 -0.20 4.45 1.01 0.42 -1.37 120.40 126.95 1sbs s VAL 119 Ca 0.31 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1sbs s VAL 119 Cb -0.17 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1sbs s VAL 119 CO 0.16 0.55 -0.15 -0.89 0.00 0.00 0.00 175.10 174.77 1sbs s THR 120 N 0.81 2.44 -0.41 3.92 2.01 -0.39 -1.33 115.64 122.69 1sbs s THR 120 Ca -0.07 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 60.93 1sbs s THR 120 Cb -0.16 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1sbs s THR 120 CO -0.02 0.47 0.28 -0.69 -0.69 0.00 0.00 174.62 173.97 1sbs s VAL 121 N 1.33 4.93 0.08 3.82 1.01 -1.26 -1.34 120.40 128.97 1sbs s VAL 121 Ca 0.04 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 1sbs s VAL 121 Cb -0.14 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1sbs s VAL 121 CO -0.10 -0.34 0.38 -0.55 0.00 0.00 0.00 175.10 174.49 1sbs s SER 122 N 1.79 -0.22 0.00 3.32 0.15 0.03 -4.56 113.70 114.21 1sbs s SER 122 Ca 0.04 -0.18 0.25 0.00 0.70 0.00 0.00 55.95 56.75 1sbs s SER 122 Cb -0.20 0.43 0.48 0.00 -1.71 0.00 0.00 66.02 65.01 1sbs s SER 122 CO 0.08 -0.73 1.39 -1.54 1.20 0.00 0.00 173.24 173.63 1sbs n SER 123 N 0.21 0.86 -4.64 5.45 3.41 -1.26 -3.61 113.62 114.05 1sbs n SER 123 Ca -0.17 -0.66 -0.30 0.00 -0.26 0.00 0.00 58.87 57.47 1sbs n SER 123 Cb 0.61 0.31 0.18 0.00 -0.26 0.00 0.00 64.21 65.05 1sbs n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sbs s ALA 124 N -2.78 1.02 0.24 7.33 0.00 -1.26 -5.00 121.76 121.31 1sbs s ALA 124 Ca 0.16 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 1sbs s ALA 124 Cb 0.18 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 1sbs s ALA 124 CO 0.64 -2.90 0.51 -1.59 0.00 0.00 0.00 175.76 172.42 1sbs s LYS 125 N -4.67 3.66 0.20 0.00 -2.85 -1.26 -5.00 119.74 109.83 1sbs s LYS 125 Ca 0.66 0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 55.36 1sbs s LYS 125 Cb -0.22 -2.70 -0.08 0.00 -2.06 0.00 0.00 37.83 32.77 1sbs s LYS 125 CO 0.59 0.30 1.18 0.99 0.10 0.00 0.00 175.35 178.51 1sbs s THR 126 N -1.92 3.57 -0.11 3.79 2.01 -1.26 -4.76 115.64 116.94 1sbs s THR 126 Ca 0.44 1.35 -0.02 0.00 0.31 0.00 0.00 61.69 63.77 1sbs s THR 126 Cb -0.11 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.58 1sbs s THR 126 CO 0.27 0.23 0.02 -0.89 -0.69 0.00 0.00 174.62 173.56 1sbs s THR 127 N -0.22 0.39 0.60 -0.82 2.01 -0.46 -4.96 115.64 112.18 1sbs s THR 127 Ca 0.51 -0.10 -0.17 0.00 0.31 0.00 0.00 61.69 62.25 1sbs s THR 127 Cb -0.32 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1sbs s THR 127 CO 0.37 0.09 1.10 -2.16 -0.69 0.00 0.00 174.62 173.33 1sbs s PRO 128 N 1.95 3.13 0.53 4.92 0.04 -1.26 -1.34 135.00 142.97 1sbs s PRO 128 Ca 0.03 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.31 1sbs s PRO 128 Cb -0.14 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1sbs s PRO 128 CO -0.06 -0.99 1.01 -1.25 0.04 0.00 0.00 177.00 175.74 1sbs s PRO 129 N -3.81 3.79 0.03 0.56 0.04 -1.26 -4.44 135.00 129.90 1sbs s PRO 129 Ca 0.68 1.08 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 1sbs s PRO 129 Cb -0.20 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 1sbs s PRO 129 CO 0.35 -0.41 0.40 -1.12 0.04 0.00 0.00 177.00 176.26 1sbs s SER 130 N -2.81 6.73 -0.13 6.66 0.01 0.19 -4.93 113.70 119.42 1sbs s SER 130 Ca 0.61 0.88 0.01 0.00 1.31 0.00 0.00 55.95 58.77 1sbs s SER 130 Cb -0.12 -2.22 0.02 0.00 0.21 0.00 0.00 66.02 63.91 1sbs s SER 130 CO 0.30 0.26 -0.15 -0.69 0.41 0.00 0.00 173.24 173.37 1sbs s VAL 131 N -1.22 1.54 -0.07 3.43 1.01 -1.26 -0.72 120.40 123.12 1sbs s VAL 131 Ca 0.28 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1sbs s VAL 131 Cb -0.15 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1sbs s VAL 131 CO 0.15 0.45 -0.24 -0.31 0.00 0.00 0.00 175.10 175.16 1sbs s TYR 132 N 1.26 2.51 0.31 5.22 2.02 0.01 -4.98 117.35 123.69 1sbs s TYR 132 Ca -0.00 -0.80 -0.28 0.00 -0.37 0.00 0.00 57.07 55.62 1sbs s TYR 132 Cb -0.14 -1.65 -0.09 0.00 -0.40 0.00 0.00 41.96 39.68 1sbs s TYR 132 CO -0.06 -0.26 1.05 -1.25 -1.57 0.00 0.00 175.55 173.45 1sbs s PRO 133 N -0.00 4.54 -0.37 -1.71 0.04 -1.26 -0.80 135.00 135.44 1sbs s PRO 133 Ca -0.08 1.64 0.04 0.00 0.04 0.00 0.00 61.00 62.63 1sbs s PRO 133 Cb -0.15 -2.99 0.10 0.00 0.04 0.00 0.00 34.50 31.50 1sbs s PRO 133 CO 0.05 0.17 0.09 -0.51 0.04 0.00 0.00 177.00 176.84 1sbs s LEU 134 N -1.79 4.46 0.22 -3.56 1.02 0.50 -4.90 118.68 114.63 1sbs s LEU 134 Ca 0.48 -2.25 -0.01 0.00 0.02 0.00 0.00 54.13 52.37 1sbs s LEU 134 Cb -0.27 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 1sbs s LEU 134 CO 0.35 -0.36 0.42 0.00 0.02 0.00 0.00 176.35 176.78 1sbs s ALA 135 N 0.78 3.79 0.83 4.21 0.00 -1.26 -1.30 121.76 128.80 1sbs s ALA 135 Ca 0.12 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.17 1sbs s ALA 135 Cb -0.20 -2.06 0.09 0.00 0.00 0.00 0.00 23.12 20.96 1sbs s ALA 135 CO -0.08 0.39 1.16 -0.35 0.00 0.00 0.00 175.76 176.88 1sbs n PRO 136 N -0.73 0.06 0.04 0.00 -0.04 -1.26 -4.88 135.00 128.19 1sbs n PRO 136 Ca -0.04 0.10 0.14 0.00 -0.04 0.00 0.00 63.50 63.66 1sbs n PRO 136 Cb 0.54 -2.40 0.62 0.00 -0.04 0.00 0.00 33.50 32.21 1sbs n PRO 136 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1sbs h GLY 137 N -1.08 0.18 -5.76 0.55 0.00 -1.97 -3.41 103.07 91.59 1sbs h GLY 137 Ca -0.46 -0.05 -0.43 0.00 0.00 0.00 0.00 47.33 46.39 1sbs h GLY 137 CO 0.45 0.03 -0.78 -0.45 0.00 0.00 0.00 176.54 175.79 1sbs s SER 138 N -6.45 1.16 0.18 0.19 0.15 -1.26 -5.01 113.70 102.66 1sbs s SER 138 Ca -0.06 -0.18 0.22 0.00 0.70 0.00 0.00 55.95 56.64 1sbs s SER 138 Cb 0.19 -0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.07 1sbs s SER 138 CO 0.72 0.03 1.00 0.00 1.20 0.00 0.00 173.24 176.19 1sbs n ALA 139 N 3.54 2.52 0.12 5.45 0.00 -1.26 -4.22 120.51 126.66 1sbs n ALA 139 Ca -0.21 -0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.05 1sbs n ALA 139 Cb 0.53 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.92 1sbs n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sbs h ALA 140 N 1.98 0.67 -2.31 0.00 0.00 -1.98 -3.42 119.26 114.20 1sbs h ALA 140 Ca -0.01 -0.27 -0.75 0.00 0.00 0.00 0.00 54.91 53.89 1sbs h ALA 140 Cb 1.02 0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.60 1sbs h ALA 140 CO 0.00 0.32 -0.27 -0.65 0.00 0.00 0.00 179.25 178.65 1sbs s GLN 141 N -3.16 2.83 0.51 0.00 -0.21 -1.26 -5.03 119.66 113.34 1sbs s GLN 141 Ca 0.01 -1.77 0.01 0.00 0.02 0.00 0.00 55.36 53.64 1sbs s GLN 141 Cb 0.08 -4.17 -0.00 0.00 1.00 0.00 0.00 33.01 29.91 1sbs s GLN 141 CO 0.76 -1.28 0.03 0.95 -2.12 0.00 0.00 175.29 173.63 1sbs s THR 142 N 1.45 0.93 0.46 -0.19 -4.23 -1.26 -4.79 115.64 108.01 1sbs s THR 142 Ca 0.05 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1sbs s THR 142 Cb -0.28 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 1sbs s THR 142 CO 0.01 0.00 0.07 0.20 -0.54 0.00 0.00 174.62 174.36 1sbs s ASN 143 N -3.86 3.49 0.61 3.99 0.01 -1.26 -5.05 114.94 112.88 1sbs s ASN 143 Ca 0.05 -1.68 0.36 0.00 -0.71 0.00 0.00 52.86 50.88 1sbs s ASN 143 Cb 0.00 0.54 2.01 0.00 0.41 0.00 0.00 41.25 44.22 1sbs s ASN 143 CO 0.03 -0.91 2.27 0.77 -1.51 0.00 0.00 177.10 177.76 1sbs h SER 144 N 1.55 0.00 -3.99 -1.22 4.64 -1.99 -3.41 113.55 109.13 1sbs h SER 144 Ca -0.39 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.32 1sbs h SER 144 Cb 1.30 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.17 1sbs h SER 144 CO 0.65 0.01 -0.84 -0.04 -0.87 0.00 0.00 176.83 175.75 1sbs s MET 145 N -4.35 1.25 -0.02 4.77 -1.94 -1.26 0.40 119.30 118.16 1sbs s MET 145 Ca -0.04 -1.26 0.06 0.00 -1.71 0.00 0.00 55.69 52.73 1sbs s MET 145 Cb 0.14 -1.59 -0.01 0.00 2.01 0.00 0.00 34.83 35.38 1sbs s MET 145 CO 0.50 0.37 -0.18 0.54 -0.01 0.00 0.00 175.02 176.23 1sbs s VAL 146 N -1.21 1.44 -0.05 -6.03 0.11 0.98 -4.72 120.40 110.91 1sbs s VAL 146 Ca 0.10 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 1sbs s VAL 146 Cb -0.10 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.53 1sbs s VAL 146 CO 0.05 0.41 -0.14 0.28 -3.33 0.00 0.00 175.10 172.37 1sbs s THR 147 N -0.39 3.05 0.29 5.04 -1.32 -1.26 -1.06 115.64 119.99 1sbs s THR 147 Ca 0.06 -0.72 0.11 0.00 -1.21 0.00 0.00 61.69 59.93 1sbs s THR 147 Cb -0.07 -2.20 -0.05 0.00 -1.51 0.00 0.00 72.50 68.67 1sbs s THR 147 CO -0.00 0.59 -0.18 -0.76 -2.21 0.00 0.00 174.62 172.06 1sbs s LEU 148 N -0.68 2.62 0.20 9.08 1.02 0.49 -4.56 118.68 126.85 1sbs s LEU 148 Ca 0.10 -1.07 -0.01 0.00 0.02 0.00 0.00 54.13 53.18 1sbs s LEU 148 Cb -0.11 -1.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.99 1sbs s LEU 148 CO 0.01 -0.02 0.11 -0.83 0.02 0.00 0.00 176.35 175.64 1sbs s GLY 149 N -3.53 1.41 -0.09 -3.19 0.00 -0.42 -1.18 107.32 100.32 1sbs s GLY 149 Ca 0.31 -1.69 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 1sbs s GLY 149 CO 0.15 -1.42 0.18 0.00 0.00 0.00 0.00 173.10 172.01 1sbs s LEU 151 N 1.72 3.68 -0.37 0.00 0.20 0.02 -1.30 118.68 122.63 1sbs s LEU 151 Ca -0.04 -0.11 -0.01 0.00 0.69 0.00 0.00 54.13 54.67 1sbs s LEU 151 Cb -0.12 -1.99 0.10 0.00 -0.43 0.00 0.00 46.19 43.75 1sbs s LEU 151 CO -0.07 -0.01 0.13 -0.69 -0.29 0.00 0.00 176.35 175.41 1sbs s VAL 152 N 1.51 2.92 0.04 1.68 1.01 0.11 -0.81 120.40 126.87 1sbs s VAL 152 Ca 0.06 -2.06 0.06 0.00 0.00 0.00 0.00 61.98 60.04 1sbs s VAL 152 Cb -0.15 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1sbs s VAL 152 CO 0.06 -0.58 -0.12 -0.75 0.00 0.00 0.00 175.10 173.71 1sbs s LYS 153 N 1.08 2.26 -0.84 2.72 2.20 0.11 -0.85 119.74 126.41 1sbs s LYS 153 Ca 0.07 -0.90 -0.02 0.00 -0.36 0.00 0.00 55.97 54.76 1sbs s LYS 153 Cb -0.21 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1sbs s LYS 153 CO -0.05 0.55 0.72 0.41 -0.36 0.00 0.00 175.35 176.62 1sbs n GLY 154 N 1.33 -0.09 3.71 5.54 0.00 -0.24 -0.64 105.19 114.81 1sbs n GLY 154 Ca -0.15 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1sbs n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sbs s TYR 155 N -3.23 2.42 -0.28 1.61 1.13 -0.81 -4.52 117.35 113.66 1sbs s TYR 155 Ca 0.13 -0.68 -0.23 0.00 -1.41 0.00 0.00 57.07 54.88 1sbs s TYR 155 Cb -0.06 -1.85 0.13 0.00 -1.10 0.00 0.00 41.96 39.08 1sbs s TYR 155 CO 0.49 0.24 1.01 0.12 -2.51 0.00 0.00 175.55 174.91 1sbs s PHE 156 N -2.68 -0.51 0.07 -3.49 5.36 -0.45 0.01 117.98 116.29 1sbs s PHE 156 Ca 0.34 1.17 -0.00 0.00 -0.96 0.00 0.00 56.93 57.48 1sbs s PHE 156 Cb 0.05 0.37 0.01 0.00 -0.34 0.00 0.00 43.02 43.12 1sbs s PHE 156 CO 0.18 -0.25 0.09 -0.35 -1.46 0.00 0.00 175.22 173.44 1sbs n PRO 157 N 2.63 0.56 -1.85 10.12 -0.04 -1.26 -1.35 135.00 143.80 1sbs n PRO 157 Ca -0.14 -0.26 -0.32 0.00 -0.04 0.00 0.00 63.50 62.74 1sbs n PRO 157 Cb 0.56 -0.06 0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1sbs n PRO 157 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1sbs s GLU 158 N -2.63 3.15 0.46 0.54 0.41 -1.26 -4.70 118.70 114.67 1sbs s GLU 158 Ca 0.06 1.11 0.07 0.00 -0.41 0.00 0.00 54.97 55.81 1sbs s GLU 158 Cb -0.00 -2.01 0.07 0.00 -1.78 0.00 0.00 34.13 30.41 1sbs s GLU 158 CO 0.04 -0.94 0.60 -0.35 -0.49 0.00 0.00 175.26 174.12 1sbs n PRO 159 N -2.47 0.70 -4.25 0.39 -0.04 -1.26 -4.92 135.00 123.15 1sbs n PRO 159 Ca 0.08 -2.54 -0.22 0.00 -0.04 0.00 0.00 63.50 60.79 1sbs n PRO 159 Cb 0.53 -0.13 -0.12 0.00 -0.04 0.00 0.00 33.50 33.74 1sbs n PRO 159 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sbs s VAL 160 N -1.92 1.52 -0.19 0.52 0.11 -1.26 -4.29 120.40 114.89 1sbs s VAL 160 Ca 0.46 -1.48 -0.02 0.00 -2.93 0.00 0.00 61.98 58.01 1sbs s VAL 160 Cb -0.04 -1.41 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 1sbs s VAL 160 CO 0.29 -0.12 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.94 1sbs s THR 161 N -1.23 2.85 -0.11 5.04 2.01 0.24 -4.95 115.64 119.48 1sbs s THR 161 Ca 0.04 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 1sbs s THR 161 Cb -0.10 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1sbs s THR 161 CO 0.04 0.48 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.72 1sbs s VAL 162 N 1.26 4.00 0.07 3.82 1.01 -1.26 -0.59 120.40 128.71 1sbs s VAL 162 Ca 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1sbs s VAL 162 Cb -0.14 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1sbs s VAL 162 CO -0.05 0.56 -0.03 -0.89 0.00 0.00 0.00 175.10 174.69 1sbs s THR 163 N -0.35 0.30 -0.09 3.92 2.01 -0.14 -4.98 115.64 116.31 1sbs s THR 163 Ca 0.06 -1.85 0.03 0.00 0.31 0.00 0.00 61.69 60.25 1sbs s THR 163 Cb -0.12 -1.62 0.00 0.00 0.01 0.00 0.00 72.50 70.78 1sbs s THR 163 CO 0.02 -0.91 -0.21 0.26 -0.69 0.00 0.00 174.62 173.10 1sbs s TRP 164 N -3.87 2.26 -1.45 4.92 0.52 -1.26 -0.56 118.94 119.49 1sbs s TRP 164 Ca 0.10 -0.93 -0.09 0.00 0.02 0.00 0.00 56.10 55.21 1sbs s TRP 164 Cb 0.07 -1.54 0.05 0.00 -1.15 0.00 0.00 33.47 30.91 1sbs s TRP 164 CO -0.08 -0.39 0.88 0.09 0.02 0.00 0.00 176.95 177.47 1sbs n ASN 165 N 3.65 -3.52 -2.34 2.95 3.02 0.08 -0.93 115.26 118.17 1sbs n ASN 165 Ca -0.20 -0.79 -0.20 0.00 -0.03 0.00 0.00 54.58 53.35 1sbs n ASN 165 Cb 0.53 -3.94 -0.01 0.00 -0.61 0.00 0.00 39.78 35.74 1sbs n ASN 165 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1sbs n SER 166 N -2.92 -5.84 0.00 6.41 7.64 -1.26 -1.59 113.62 116.06 1sbs n SER 166 Ca -0.08 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1sbs n SER 166 Cb 0.58 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 1sbs n SER 166 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sbs n GLY 167 N -1.02 0.95 0.21 0.23 0.00 -0.11 -4.93 105.19 100.53 1sbs n GLY 167 Ca -0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1sbs n GLY 167 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sbs h SER 168 N 0.00 0.59 -2.79 1.61 0.02 -1.09 -3.36 113.55 108.54 1sbs h SER 168 Ca 0.00 -0.32 -0.68 0.00 -0.84 0.00 0.00 61.79 59.95 1sbs h SER 168 Cb 0.00 -0.17 -0.18 0.00 0.14 0.00 0.00 62.40 62.19 1sbs h SER 168 CO 0.00 1.02 0.38 -0.22 -1.14 0.00 0.00 176.83 176.87 1sbs s LEU 169 N -8.32 5.10 -0.04 5.07 2.96 -0.95 -4.81 118.68 117.69 1sbs s LEU 169 Ca -0.07 -1.48 0.04 0.00 -0.22 0.00 0.00 54.13 52.40 1sbs s LEU 169 Cb 0.11 -2.35 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 1sbs s LEU 169 CO 0.84 -1.18 0.03 -1.54 -1.32 0.00 0.00 176.35 173.18 1sbs n SER 170 N 6.66 3.83 -4.85 3.68 3.41 -1.26 -4.14 113.62 120.96 1sbs n SER 170 Ca -0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1sbs n SER 170 Cb 0.45 0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 65.03 1sbs n SER 170 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1sbs s SER 171 N -3.49 6.69 -0.86 4.04 1.04 -1.26 -3.88 113.70 115.97 1sbs s SER 171 Ca -0.02 1.46 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1sbs s SER 171 Cb 0.02 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1sbs s SER 171 CO 0.20 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1sbs n GLY 172 N -1.14 0.71 3.76 7.32 0.00 -1.26 -4.71 105.19 109.87 1sbs n GLY 172 Ca 0.05 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1sbs n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sbs s VAL 173 N -2.36 4.81 -0.19 1.61 1.01 -1.25 -1.24 120.40 122.78 1sbs s VAL 173 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1sbs s VAL 173 Cb 0.00 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.38 1sbs s VAL 173 CO 0.00 0.60 0.03 -1.00 0.00 0.00 0.00 175.10 174.73 1sbs s HIS 174 N -0.87 1.07 -0.31 5.22 3.76 -0.03 -4.99 115.29 119.14 1sbs s HIS 174 Ca 0.13 -0.87 -0.08 0.00 -0.15 0.00 0.00 55.06 54.09 1sbs s HIS 174 Cb -0.12 -1.04 0.01 0.00 1.11 0.00 0.00 32.58 32.54 1sbs s HIS 174 CO 0.03 -0.61 0.12 0.99 -0.85 0.00 0.00 174.74 174.42 1sbs s THR 175 N 1.84 4.23 0.28 1.30 2.01 -1.26 -0.08 115.64 123.96 1sbs s THR 175 Ca -0.01 -0.65 -0.23 0.00 0.31 0.00 0.00 61.69 61.12 1sbs s THR 175 Cb -0.17 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 69.04 1sbs s THR 175 CO -0.08 0.03 0.85 -0.36 -0.69 0.00 0.00 174.62 174.36 1sbs s PHE 176 N 1.54 3.65 0.37 4.92 0.08 -0.48 -5.01 117.98 123.05 1sbs s PHE 176 Ca 0.03 1.59 -0.26 0.00 0.12 0.00 0.00 56.93 58.42 1sbs s PHE 176 Cb -0.17 -2.78 -0.12 0.00 -0.57 0.00 0.00 43.02 39.38 1sbs s PHE 176 CO 0.04 0.25 1.01 -2.30 -0.10 0.00 0.00 175.22 174.12 1sbs n PRO 177 N 0.56 1.39 -2.07 0.24 -0.02 -1.26 -4.45 135.00 129.39 1sbs n PRO 177 Ca 0.00 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 1sbs n PRO 177 Cb 0.51 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1sbs n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sbs s ALA 178 N -1.20 2.63 -0.11 3.55 0.00 -1.26 -4.83 121.76 120.53 1sbs s ALA 178 Ca 0.61 0.66 0.03 0.00 0.00 0.00 0.00 51.96 53.26 1sbs s ALA 178 Cb -0.60 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.19 1sbs s ALA 178 CO 0.58 -0.93 -0.21 0.14 0.00 0.00 0.00 175.76 175.35 1sbs s VAL 179 N -2.06 2.37 -0.17 0.00 -7.23 0.50 -4.90 120.40 108.90 1sbs s VAL 179 Ca 0.69 -0.91 -0.19 0.00 -1.81 0.00 0.00 61.98 59.77 1sbs s VAL 179 Cb -0.21 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1sbs s VAL 179 CO 0.33 0.55 0.52 -0.22 -0.31 0.00 0.00 175.10 175.97 1sbs s LEU 180 N 0.36 4.19 -0.17 1.32 2.96 -1.26 -1.58 118.68 124.49 1sbs s LEU 180 Ca -0.16 0.74 -0.08 0.00 -0.22 0.00 0.00 54.13 54.41 1sbs s LEU 180 Cb -0.17 -2.73 0.07 0.00 0.50 0.00 0.00 46.19 43.85 1sbs s LEU 180 CO 0.08 -0.13 0.40 -1.58 -1.32 0.00 0.00 176.35 173.79 1sbs s GLN 181 N 1.35 0.36 -1.33 1.98 0.74 -0.28 -4.90 119.66 117.58 1sbs s GLN 181 Ca 0.25 0.84 -0.03 0.00 0.05 0.00 0.00 55.36 56.48 1sbs s GLN 181 Cb -0.15 0.06 0.01 0.00 1.10 0.00 0.00 33.01 34.03 1sbs s GLN 181 CO 0.10 -0.19 0.83 0.43 -0.55 0.00 0.00 175.29 175.91 1sbs n SER 182 N 4.60 -2.24 -1.06 6.67 7.64 -1.26 -1.85 113.62 126.12 1sbs n SER 182 Ca -0.19 -0.76 -0.14 0.00 1.01 0.00 0.00 58.87 58.79 1sbs n SER 182 Cb 0.53 -4.28 -0.06 0.00 -1.01 0.00 0.00 64.21 59.40 1sbs n SER 182 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1sbs n ASP 183 N -3.03 -5.44 -4.06 6.43 8.00 -1.26 -4.98 116.55 112.21 1sbs n ASP 183 Ca -0.22 0.34 -0.15 0.00 0.71 0.00 0.00 54.79 55.47 1sbs n ASP 183 Cb 0.64 -4.17 -0.13 0.00 -0.02 0.00 0.00 41.12 37.45 1sbs n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sbs s LEU 184 N -3.16 2.18 0.18 0.64 1.02 -0.77 -4.85 118.68 113.92 1sbs s LEU 184 Ca 0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 54.13 53.71 1sbs s LEU 184 Cb 0.00 -0.29 -0.05 0.00 0.02 0.00 0.00 46.19 45.87 1sbs s LEU 184 CO 0.00 -0.08 0.38 -0.31 0.02 0.00 0.00 176.35 176.35 1sbs s TYR 185 N -0.96 3.48 -0.00 0.29 2.02 0.10 -1.13 117.35 121.16 1sbs s TYR 185 Ca -0.04 0.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.05 1sbs s TYR 185 Cb -0.08 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1sbs s TYR 185 CO 0.01 0.40 -0.01 0.99 -1.57 0.00 0.00 175.55 175.37 1sbs s THR 186 N -1.80 0.07 0.07 -0.71 2.01 -0.61 -1.08 115.64 113.59 1sbs s THR 186 Ca 0.39 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 1sbs s THR 186 Cb -0.11 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 1sbs s THR 186 CO 0.28 0.03 0.10 -1.48 -0.69 0.00 0.00 174.62 172.86 1sbs s LEU 187 N 0.10 1.85 0.17 4.42 0.05 -0.03 -0.37 118.68 124.87 1sbs s LEU 187 Ca -0.01 -0.78 0.06 0.00 0.05 0.00 0.00 54.13 53.46 1sbs s LEU 187 Cb -0.02 0.70 -0.04 0.00 -2.05 0.00 0.00 46.19 44.77 1sbs s LEU 187 CO -0.00 -0.67 -0.13 -0.94 -0.55 0.00 0.00 176.35 174.06 1sbs s SER 188 N -2.84 2.19 -0.02 1.48 1.04 -1.26 0.05 113.70 114.33 1sbs s SER 188 Ca 0.05 -0.98 0.01 0.00 0.48 0.00 0.00 55.95 55.51 1sbs s SER 188 Cb 0.06 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1sbs s SER 188 CO -0.10 -0.23 -0.04 -0.55 0.98 0.00 0.00 173.24 173.30 1sbs s SER 189 N -3.12 0.67 0.16 7.02 0.15 -0.42 -1.38 113.70 116.78 1sbs s SER 189 Ca 0.18 -0.09 0.09 0.00 0.70 0.00 0.00 55.95 56.83 1sbs s SER 189 Cb -0.00 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 1sbs s SER 189 CO 0.04 -0.01 -0.13 -0.94 1.20 0.00 0.00 173.24 173.40 1sbs s SER 190 N 0.50 4.12 -0.02 5.45 1.04 0.89 -0.48 113.70 125.20 1sbs s SER 190 Ca -0.06 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1sbs s SER 190 Cb -0.09 -0.66 0.02 0.00 0.10 0.00 0.00 66.02 65.39 1sbs s SER 190 CO -0.00 0.13 0.01 0.54 0.98 0.00 0.00 173.24 174.89 1sbs s VAL 191 N -1.54 0.04 -0.19 5.02 0.11 -0.32 -0.85 120.40 122.67 1sbs s VAL 191 Ca 0.23 0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1sbs s VAL 191 Cb -0.09 -0.12 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 1sbs s VAL 191 CO 0.14 0.08 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.97 1sbs s THR 192 N 0.73 2.76 0.20 5.04 2.01 -0.38 -0.38 115.64 125.62 1sbs s THR 192 Ca -0.06 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.31 1sbs s THR 192 Cb -0.09 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 1sbs s THR 192 CO -0.02 0.49 -0.16 0.68 -0.69 0.00 0.00 174.62 174.92 1sbs s VAL 193 N 1.22 1.81 0.76 3.82 -7.23 -0.22 -4.64 120.40 115.91 1sbs s VAL 193 Ca 0.02 -2.16 -0.15 0.00 -1.81 0.00 0.00 61.98 57.88 1sbs s VAL 193 Cb -0.14 -2.01 0.02 0.00 0.56 0.00 0.00 36.38 34.80 1sbs s VAL 193 CO -0.05 -0.52 0.90 -2.65 -0.31 0.00 0.00 175.10 172.46 1sbs n PRO 194 N -0.25 0.34 0.17 4.82 -0.02 -1.26 -0.02 135.00 138.78 1sbs n PRO 194 Ca -0.09 0.17 0.15 0.00 -2.02 0.00 0.00 63.50 61.71 1sbs n PRO 194 Cb 0.60 -2.17 0.73 0.00 -0.02 0.00 0.00 33.50 32.64 1sbs n PRO 194 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sbs h SER 195 N -0.52 0.00 0.69 2.55 0.87 -0.27 -2.75 113.55 114.12 1sbs h SER 195 Ca -0.46 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 1sbs h SER 195 Cb 1.32 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 1sbs h SER 195 CO 0.45 0.00 -0.22 0.77 -0.53 0.00 0.00 176.83 177.30 1sbs h SER 196 N 0.00 0.00 0.68 6.23 4.64 -1.90 -3.19 113.55 120.01 1sbs h SER 196 Ca 0.10 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.21 1sbs h SER 196 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1sbs h SER 196 CO -0.00 0.22 -0.96 -0.65 -0.87 0.00 0.00 176.83 174.57 1sbs h PRO 197 N 0.00 0.16 -3.51 4.77 0.11 -1.85 -3.39 132.00 128.29 1sbs h PRO 197 Ca -0.00 -0.21 -0.26 0.00 0.11 0.00 0.00 66.00 65.64 1sbs h PRO 197 Cb 0.63 0.07 -0.31 0.00 0.11 0.00 0.00 31.00 31.49 1sbs h PRO 197 CO 0.03 1.00 -0.69 0.50 -0.21 0.00 0.00 178.00 178.63 1sbs s ARG 198 N -3.02 0.01 -0.03 1.05 3.52 -1.20 -0.16 118.95 119.11 1sbs s ARG 198 Ca -0.02 0.18 0.05 0.00 -0.13 0.00 0.00 55.73 55.81 1sbs s ARG 198 Cb 0.10 -0.15 0.22 0.00 -1.56 0.00 0.00 34.95 33.56 1sbs s ARG 198 CO 0.83 -0.11 1.02 -0.35 -0.81 0.00 0.00 175.30 175.88 1sbs n PRO 199 N 3.82 1.83 0.27 5.12 -0.04 -1.26 -4.75 135.00 139.99 1sbs n PRO 199 Ca -0.22 -0.86 0.17 0.00 -0.04 0.00 0.00 63.50 62.54 1sbs n PRO 199 Cb 0.54 -1.44 0.66 0.00 -0.04 0.00 0.00 33.50 33.21 1sbs n PRO 199 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1sbs h SER 200 N 1.24 0.00 -2.68 3.54 0.02 -1.75 -3.43 113.55 110.48 1sbs h SER 200 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1sbs h SER 200 Cb 0.61 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.01 1sbs h SER 200 CO 0.07 0.00 -0.74 -1.61 -1.14 0.00 0.00 176.83 173.41 1sbs s GLU 201 N -3.63 1.52 0.21 3.45 2.02 0.77 -5.04 118.70 118.00 1sbs s GLU 201 Ca 0.02 -1.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.01 1sbs s GLU 201 Cb 0.09 -1.44 -0.08 0.00 0.10 0.00 0.00 34.13 32.80 1sbs s GLU 201 CO 0.54 0.24 1.03 0.99 0.02 0.00 0.00 175.26 178.07 1sbs s THR 202 N -2.75 3.95 -0.08 3.63 2.01 -1.26 -4.62 115.64 116.52 1sbs s THR 202 Ca 0.27 1.82 0.03 0.00 0.31 0.00 0.00 61.69 64.12 1sbs s THR 202 Cb -0.02 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1sbs s THR 202 CO 0.11 0.37 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.55 1sbs s VAL 203 N -0.70 1.59 -0.04 3.82 1.01 -1.26 -5.03 120.40 119.79 1sbs s VAL 203 Ca 0.45 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1sbs s VAL 203 Cb -0.28 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1sbs s VAL 203 CO 0.34 0.46 -0.19 -0.89 0.00 0.00 0.00 175.10 174.82 1sbs s THR 204 N 0.52 1.58 -0.14 3.92 2.01 -1.26 -0.43 115.64 121.84 1sbs s THR 204 Ca -0.16 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 60.86 1sbs s THR 204 Cb -0.17 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1sbs s THR 204 CO 0.06 0.45 0.40 0.00 -0.69 0.00 0.00 174.62 174.84 1sbs s ASN 206 N 0.62 3.55 -0.15 0.00 -0.87 0.28 -0.89 114.94 117.48 1sbs s ASN 206 Ca 0.22 -0.53 0.01 0.00 -1.57 0.00 0.00 52.86 50.99 1sbs s ASN 206 Cb -0.14 -1.56 0.00 0.00 -0.02 0.00 0.00 41.25 39.53 1sbs s ASN 206 CO 0.08 0.03 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.77 1sbs s VAL 207 N 1.14 2.51 -0.07 1.60 1.01 0.57 -0.97 120.40 126.19 1sbs s VAL 207 Ca 0.01 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1sbs s VAL 207 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1sbs s VAL 207 CO -0.06 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.48 1sbs s ALA 208 N 0.75 2.89 -0.48 5.51 0.00 0.24 -1.03 121.76 129.65 1sbs s ALA 208 Ca -0.07 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1sbs s ALA 208 Cb -0.16 -1.19 0.13 0.00 0.00 0.00 0.00 23.12 21.91 1sbs s ALA 208 CO 0.00 0.53 0.26 -1.58 0.00 0.00 0.00 175.76 174.97 1sbs s HIS 209 N -0.65 2.55 0.26 0.00 2.46 0.03 -0.60 115.29 119.35 1sbs s HIS 209 Ca 0.10 -2.79 -0.02 0.00 0.47 0.00 0.00 55.06 52.82 1sbs s HIS 209 Cb -0.11 -2.32 0.48 0.00 -0.13 0.00 0.00 32.58 30.50 1sbs s HIS 209 CO 0.02 -0.76 1.78 -1.35 -2.47 0.00 0.00 174.74 171.96 1sbs h PRO 210 N 6.58 0.68 -0.30 2.88 0.11 -1.81 -1.89 132.00 138.25 1sbs h PRO 210 Ca -0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1sbs h PRO 210 Cb 0.91 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1sbs h PRO 210 CO 0.58 0.45 0.19 0.00 -0.21 0.00 0.00 178.00 179.01 1sbs h ALA 211 N 1.52 1.77 -0.61 -0.75 0.00 -1.85 -1.27 119.26 118.07 1sbs h ALA 211 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1sbs h ALA 211 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sbs h ALA 211 CO -0.32 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.01 1sbs n SER 212 N -4.48 3.65 -3.86 0.00 3.41 -0.77 -4.74 113.62 106.82 1sbs n SER 212 Ca 0.01 -1.99 -0.34 0.00 -0.26 0.00 0.00 58.87 56.29 1sbs n SER 212 Cb 0.07 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 63.64 1sbs n SER 212 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sbs n SER 213 N 1.35 -3.64 -4.15 4.04 7.64 -0.48 -4.96 113.62 113.41 1sbs n SER 213 Ca 0.21 -1.09 -0.25 0.00 1.01 0.00 0.00 58.87 58.74 1sbs n SER 213 Cb 0.57 -2.83 -0.16 0.00 -1.01 0.00 0.00 64.21 60.78 1sbs n SER 213 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1sbs s THR 214 N -3.63 1.39 -0.04 0.44 2.01 -1.08 -5.02 115.64 109.71 1sbs s THR 214 Ca 0.35 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1sbs s THR 214 Cb -0.15 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.21 1sbs s THR 214 CO 0.90 0.40 -0.05 -0.54 -0.69 0.00 0.00 174.62 174.63 1sbs s LYS 215 N -0.19 0.88 -0.07 4.92 1.02 -1.26 -0.79 119.74 124.25 1sbs s LYS 215 Ca 0.02 -0.15 0.03 0.00 0.02 0.00 0.00 55.97 55.88 1sbs s LYS 215 Cb -0.09 -0.85 0.01 0.00 -0.52 0.00 0.00 37.83 36.38 1sbs s LYS 215 CO 0.01 -0.04 -0.14 0.08 -0.92 0.00 0.00 175.35 174.33 1sbs s VAL 216 N 0.77 1.28 -0.15 3.17 1.01 -0.19 -4.99 120.40 121.28 1sbs s VAL 216 Ca -0.11 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1sbs s VAL 216 Cb -0.14 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1sbs s VAL 216 CO 0.01 0.38 -0.16 -1.81 0.00 0.00 0.00 175.10 173.52 1sbs s ASP 217 N 0.55 3.61 -0.13 3.32 1.01 -1.26 -0.32 116.67 123.45 1sbs s ASP 217 Ca -0.14 -0.48 -0.00 0.00 0.71 0.00 0.00 52.55 52.63 1sbs s ASP 217 Cb -0.16 -1.55 0.03 0.00 1.01 0.00 0.00 42.92 42.25 1sbs s ASP 217 CO 0.04 0.08 -0.08 -0.54 0.21 0.00 0.00 175.17 174.89 1sbs s LYS 218 N 0.82 1.59 0.35 8.23 -0.14 -0.07 -4.99 119.74 125.53 1sbs s LYS 218 Ca -0.05 -0.36 -0.27 0.00 -1.36 0.00 0.00 55.97 53.93 1sbs s LYS 218 Cb -0.15 -1.76 -0.09 0.00 -1.68 0.00 0.00 37.83 34.15 1sbs s LYS 218 CO -0.00 -0.31 1.14 0.15 -0.76 0.00 0.00 175.35 175.57 1sbs s LYS 219 N 1.66 4.32 -0.60 1.68 1.02 -1.26 -0.62 119.74 125.95 1sbs s LYS 219 Ca 0.04 1.82 -0.21 0.00 0.02 0.00 0.00 55.97 57.64 1sbs s LYS 219 Cb -0.13 -2.89 0.08 0.00 -0.52 0.00 0.00 37.83 34.37 1sbs s LYS 219 CO -0.08 -0.08 0.81 0.42 -0.92 0.00 0.00 175.35 175.50 1sbs s ILE 220 N -1.33 4.61 0.05 2.17 -1.09 0.43 -4.85 121.20 121.20 1sbs s ILE 220 Ca 0.52 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 58.36 1sbs s ILE 220 Cb -0.31 -4.54 -0.04 0.00 -1.58 0.00 0.00 42.46 35.99 1sbs s ILE 220 CO 0.39 -1.21 0.05 0.68 -1.23 0.00 0.00 174.94 173.62 1sbs s VAL 221 N 3.29 4.40 -0.94 2.92 -7.23 -1.26 -4.56 120.40 117.03 1sbs s VAL 221 Ca 0.17 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1sbs s VAL 221 Cb -0.20 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.67 1sbs s VAL 221 CO 0.09 0.21 0.23 -2.65 -0.31 0.00 0.00 175.10 172.67