#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y55 s SER 5 N 3.09 4.51 0.45 0.00 0.15 -1.26 -4.65 113.70 115.99 1y55 s SER 5 Ca 0.63 -0.15 0.25 0.00 0.70 0.00 0.00 55.95 57.38 1y55 s SER 5 Cb -0.23 -1.04 0.90 0.00 -1.71 0.00 0.00 66.02 63.94 1y55 s SER 5 CO 0.24 0.30 1.82 -0.07 1.20 0.00 0.00 173.24 176.72 1y55 h LEU 6 N 4.71 0.00 -9.06 3.45 4.07 -1.96 -3.45 115.31 113.07 1y55 h LEU 6 Ca -0.48 0.00 -0.76 0.00 0.08 0.00 0.00 57.88 56.72 1y55 h LEU 6 Cb 1.17 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.96 1y55 h LEU 6 CO 0.53 0.20 0.13 0.41 -1.08 0.00 0.00 178.44 178.63 1y55 n THR 7 N -3.34 0.07 0.00 0.22 -1.04 -1.26 -4.64 114.28 104.29 1y55 n THR 7 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1y55 n THR 7 Cb 0.44 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1y55 n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y55 n GLY 8 N 1.73 0.49 3.73 3.41 0.00 -0.13 -4.94 105.19 109.48 1y55 n GLY 8 Ca 0.20 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 1y55 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y55 s LYS 9 N -0.63 3.04 0.05 1.61 1.02 -1.26 -0.92 119.74 122.64 1y55 s LYS 9 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.62 1y55 s LYS 9 Cb 0.00 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1y55 s LYS 9 CO 0.00 0.70 -0.08 -1.58 -0.92 0.00 0.00 175.35 173.47 1y55 s TRP 10 N -0.97 0.70 0.16 3.18 0.52 0.12 -1.21 118.94 121.46 1y55 s TRP 10 Ca 0.15 -0.55 0.10 0.00 0.02 0.00 0.00 56.10 55.82 1y55 s TRP 10 Cb -0.12 -0.42 -0.04 0.00 -1.15 0.00 0.00 33.47 31.75 1y55 s TRP 10 CO 0.05 -0.09 -0.22 0.99 0.02 0.00 0.00 176.95 177.70 1y55 s THR 11 N -1.65 2.05 0.54 2.01 2.01 -0.14 -1.24 115.64 119.22 1y55 s THR 11 Ca -0.07 -1.89 0.03 0.00 0.31 0.00 0.00 61.69 60.07 1y55 s THR 11 Cb -0.08 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.53 1y55 s THR 11 CO -0.00 -0.16 0.23 0.54 -0.69 0.00 0.00 174.62 174.53 1y55 s ASN 12 N -2.50 4.41 0.59 3.53 2.20 -0.51 -1.21 114.94 121.46 1y55 s ASN 12 Ca 0.16 -1.47 0.39 0.00 -0.94 0.00 0.00 52.86 51.00 1y55 s ASN 12 Cb -0.08 0.57 1.90 0.00 -2.00 0.00 0.00 41.25 41.64 1y55 s ASN 12 CO 0.07 -1.04 2.16 -0.55 -2.94 0.00 0.00 177.10 174.81 1y55 h ASN 13 N 0.98 0.00 0.29 3.54 -1.07 -1.78 -0.25 115.58 117.29 1y55 h ASN 13 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.97 1y55 h ASN 13 Cb 1.31 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.56 1y55 h ASN 13 CO 0.64 0.00 -0.28 0.18 0.07 0.00 0.00 177.43 178.05 1y55 n LEU 14 N -3.03 0.89 0.00 6.14 4.77 -1.26 -4.95 117.00 119.56 1y55 n LEU 14 Ca -0.01 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1y55 n LEU 14 Cb 0.17 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1y55 n LEU 14 CO 0.23 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1y55 n GLY 15 N 1.36 0.69 3.74 -0.72 0.00 -0.10 -4.73 105.19 105.42 1y55 n GLY 15 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1y55 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y55 s SER 16 N -2.97 4.62 -0.04 1.61 0.01 -1.26 -4.65 113.70 111.02 1y55 s SER 16 Ca 0.00 2.24 0.06 0.00 1.31 0.00 0.00 55.95 59.56 1y55 s SER 16 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1y55 s SER 16 CO 0.00 -1.97 -0.22 -0.63 0.41 0.00 0.00 173.24 170.83 1y55 s ILE 17 N -2.06 1.83 0.07 1.44 1.01 -0.47 -1.42 121.20 121.61 1y55 s ILE 17 Ca 0.72 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1y55 s ILE 17 Cb -0.26 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1y55 s ILE 17 CO 0.42 0.51 -0.12 0.00 0.00 0.00 0.00 174.94 175.75 1y55 s MET 18 N -0.23 0.79 -0.12 2.79 0.23 -0.37 -0.32 119.30 122.06 1y55 s MET 18 Ca 0.00 -0.98 0.01 0.00 -1.03 0.00 0.00 55.69 53.69 1y55 s MET 18 Cb -0.12 -0.68 0.02 0.00 -1.53 0.00 0.00 34.83 32.52 1y55 s MET 18 CO 0.02 0.14 -0.13 0.99 -2.03 0.00 0.00 175.02 174.01 1y55 s THR 19 N -1.57 1.40 -0.08 3.16 2.01 -0.16 -0.70 115.64 119.71 1y55 s THR 19 Ca -0.01 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1y55 s THR 19 Cb -0.08 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1y55 s THR 19 CO 0.02 0.43 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.60 1y55 s ILE 20 N 1.34 3.05 0.00 1.82 1.01 -0.10 -0.83 121.20 127.48 1y55 s ILE 20 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1y55 s ILE 20 Cb -0.14 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1y55 s ILE 20 CO -0.07 0.56 0.00 0.54 0.00 0.00 0.00 174.94 175.98 1y55 n ARG 21 N 2.81 1.43 -1.85 2.79 1.74 -0.14 -0.96 116.66 122.47 1y55 n ARG 21 Ca -0.18 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.50 1y55 n ARG 21 Cb 0.52 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1y55 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y55 s ALA 22 N -3.01 3.52 -0.19 7.54 0.00 -1.26 -4.19 121.76 124.17 1y55 s ALA 22 Ca 0.00 1.51 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 1y55 s ALA 22 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1y55 s ALA 22 CO 0.00 -1.01 0.46 0.08 0.00 0.00 0.00 175.76 175.29 1y55 s VAL 23 N -1.14 5.16 0.22 0.00 1.01 -1.26 -4.52 120.40 119.87 1y55 s VAL 23 Ca 0.53 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 63.34 1y55 s VAL 23 Cb -0.45 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.19 1y55 s VAL 23 CO 0.61 0.23 0.30 -0.46 0.00 0.00 0.00 175.10 175.78 1y55 n ASN 24 N 4.48 0.12 0.18 3.32 0.23 -0.43 -4.87 115.26 118.29 1y55 n ASN 24 Ca -0.07 -1.17 0.04 0.00 -0.53 0.00 0.00 54.58 52.86 1y55 n ASN 24 Cb 0.51 -0.22 0.43 0.00 -2.08 0.00 0.00 39.78 38.42 1y55 n ASN 24 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1y55 h SER 25 N -0.35 0.07 0.76 0.53 0.02 -1.98 -1.02 113.55 111.58 1y55 h SER 25 Ca -0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1y55 h SER 25 Cb 0.29 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1y55 h SER 25 CO 0.08 0.29 -0.17 0.54 -1.14 0.00 0.00 176.83 176.42 1y55 n ARG 26 N -4.26 0.09 -0.43 3.45 5.12 -1.26 -4.93 116.66 114.44 1y55 n ARG 26 Ca -0.02 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1y55 n ARG 26 Cb 0.29 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1y55 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y55 n GLY 27 N 1.47 0.74 3.79 -0.13 0.00 -0.39 -4.79 105.19 105.89 1y55 n GLY 27 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1y55 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y55 s GLU 28 N -0.57 4.37 0.02 1.61 2.02 -1.26 -0.46 118.70 124.43 1y55 s GLU 28 Ca 0.00 1.38 -0.12 0.00 0.02 0.00 0.00 54.97 56.25 1y55 s GLU 28 Cb 0.00 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.63 1y55 s GLU 28 CO 0.00 0.07 0.25 -0.59 0.02 0.00 0.00 175.26 175.01 1y55 s PHE 29 N -1.70 -0.07 0.42 1.61 -0.12 -0.35 -1.31 117.98 116.46 1y55 s PHE 29 Ca 0.55 -0.02 0.07 0.00 -0.05 0.00 0.00 56.93 57.48 1y55 s PHE 29 Cb -0.19 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.17 1y55 s PHE 29 CO 0.24 -0.42 0.03 -0.08 -0.05 0.00 0.00 175.22 174.94 1y55 s THR 30 N -2.01 1.97 -0.39 -4.49 -1.32 -1.26 -1.03 115.64 107.10 1y55 s THR 30 Ca -0.09 -1.96 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 1y55 s THR 30 Cb -0.03 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 1y55 s THR 30 CO -0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1y55 n GLY 31 N -1.03 -1.05 3.20 6.08 0.00 -0.85 -0.97 105.19 110.57 1y55 n GLY 31 Ca -0.06 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 1y55 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y55 s THR 32 N -3.00 1.03 -0.05 2.61 -4.23 -0.01 -1.44 115.64 110.55 1y55 s THR 32 Ca 0.00 -1.75 -0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1y55 s THR 32 Cb 0.00 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.37 1y55 s THR 32 CO 0.00 -0.59 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.01 1y55 s TYR 33 N -2.63 0.57 -0.42 3.99 6.14 0.72 -0.98 117.35 124.74 1y55 s TYR 33 Ca 0.08 -0.12 -0.03 0.00 0.64 0.00 0.00 57.07 57.65 1y55 s TYR 33 Cb -0.02 -0.67 0.11 0.00 0.42 0.00 0.00 41.96 41.81 1y55 s TYR 33 CO 0.00 -0.25 0.22 -1.17 0.64 0.00 0.00 175.55 175.00 1y55 s LEU 34 N 1.53 5.24 0.30 6.97 2.96 0.57 -1.64 118.68 134.60 1y55 s LEU 34 Ca -0.02 -2.09 -0.29 0.00 -0.22 0.00 0.00 54.13 51.51 1y55 s LEU 34 Cb -0.13 -1.83 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 1y55 s LEU 34 CO -0.03 -0.53 1.11 0.28 -1.32 0.00 0.00 176.35 175.86 1y55 s THR 35 N 1.05 3.46 -0.18 3.68 -1.32 -1.26 -1.37 115.64 119.70 1y55 s THR 35 Ca 0.09 1.43 0.19 0.00 -1.21 0.00 0.00 61.69 62.19 1y55 s THR 35 Cb -0.23 -3.89 0.17 0.00 -1.51 0.00 0.00 72.50 67.05 1y55 s THR 35 CO -0.04 0.31 1.57 0.00 -2.21 0.00 0.00 174.62 174.24 1y55 h ALA 36 N 3.63 0.83 -2.78 11.08 0.00 -1.85 -3.47 119.26 126.70 1y55 h ALA 36 Ca -0.47 -0.28 -0.37 0.00 0.00 0.00 0.00 54.91 53.79 1y55 h ALA 36 Cb 1.21 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 1y55 h ALA 36 CO 0.66 0.39 -0.74 0.14 0.00 0.00 0.00 179.25 179.70 1y55 s VAL 37 N -3.16 1.15 0.20 0.00 -7.23 -1.26 -5.02 120.40 105.08 1y55 s VAL 37 Ca 0.04 -1.70 -0.23 0.00 -1.81 0.00 0.00 61.98 58.28 1y55 s VAL 37 Cb 0.07 -1.47 0.05 0.00 0.56 0.00 0.00 36.38 35.59 1y55 s VAL 37 CO 0.70 -0.50 0.84 0.00 -0.31 0.00 0.00 175.10 175.83 1y55 s ALA 38 N -2.34 -1.47 0.27 1.32 0.00 -1.26 -4.98 121.76 113.30 1y55 s ALA 38 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 1y55 s ALA 38 Cb -0.04 0.73 0.42 0.00 0.00 0.00 0.00 23.12 24.23 1y55 s ALA 38 CO 0.02 -1.02 1.89 -0.44 0.00 0.00 0.00 175.76 176.21 1y55 h ASP 39 N 2.00 1.03 -2.94 0.00 3.32 -2.03 -3.33 116.42 114.48 1y55 h ASP 39 Ca -0.22 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.23 1y55 h ASP 39 Cb 1.24 -0.22 -0.40 0.00 0.22 0.00 0.00 39.33 40.18 1y55 h ASP 39 CO 0.25 0.67 -0.76 0.20 -1.72 0.00 0.00 179.24 177.88 1y55 s ASN 40 N -5.95 3.29 0.58 6.45 0.01 -1.26 -4.99 114.94 113.08 1y55 s ASN 40 Ca -0.12 -3.25 0.34 0.00 -0.71 0.00 0.00 52.86 49.12 1y55 s ASN 40 Cb 0.20 -1.04 1.80 0.00 0.41 0.00 0.00 41.25 42.61 1y55 s ASN 40 CO 0.81 -0.16 2.18 1.55 -1.51 0.00 0.00 177.10 179.97 1y55 h PRO 41 N 5.84 0.00 0.00 -0.60 0.13 -1.94 -0.91 132.00 134.52 1y55 h PRO 41 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1y55 h PRO 41 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1y55 h PRO 41 CO 0.53 0.05 0.00 0.78 -0.23 0.00 0.00 178.00 179.13 1y55 h GLY 42 N 0.69 0.00 -0.72 1.56 0.00 -1.94 -2.42 103.07 100.23 1y55 h GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y55 h GLY 42 CO 0.01 0.00 -0.46 0.70 0.00 0.00 0.00 176.54 176.79 1y55 n ASN 43 N -2.32 1.80 -4.73 0.19 3.02 -0.35 -5.01 115.26 107.87 1y55 n ASN 43 Ca -0.00 -1.38 -0.42 0.00 -0.03 0.00 0.00 54.58 52.75 1y55 n ASN 43 Cb 0.12 0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 1y55 n ASN 43 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1y55 s ILE 44 N -2.50 2.06 0.10 2.41 1.01 -0.91 -4.77 121.20 118.59 1y55 s ILE 44 Ca 0.19 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.92 1y55 s ILE 44 Cb 0.18 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1y55 s ILE 44 CO 0.57 0.01 -0.09 0.42 0.00 0.00 0.00 174.94 175.85 1y55 s THR 45 N 0.69 0.87 0.22 2.92 -4.23 -1.26 -5.09 115.64 109.76 1y55 s THR 45 Ca 0.70 -1.70 -0.32 0.00 -1.18 0.00 0.00 61.69 59.19 1y55 s THR 45 Cb -0.49 -1.41 -0.14 0.00 1.34 0.00 0.00 72.50 71.80 1y55 s THR 45 CO 0.39 -0.63 1.36 -0.11 -0.54 0.00 0.00 174.62 175.08 1y55 n LEU 46 N 0.43 2.77 -4.14 4.79 7.94 -1.26 -4.68 117.00 122.86 1y55 n LEU 46 Ca -0.15 1.14 -0.19 0.00 -1.11 0.00 0.00 56.01 55.70 1y55 n LEU 46 Cb 0.58 -1.38 -0.13 0.00 0.53 0.00 0.00 43.42 43.02 1y55 n LEU 46 CO 0.27 -0.66 -0.46 -0.44 -1.11 0.00 0.00 177.39 175.00 1y55 s SER 47 N 0.23 1.57 0.46 1.96 0.01 -0.65 -4.69 113.70 112.59 1y55 s SER 47 Ca 0.69 -0.47 -0.20 0.00 1.31 0.00 0.00 55.95 57.28 1y55 s SER 47 Cb -0.69 -0.09 -0.10 0.00 0.21 0.00 0.00 66.02 65.35 1y55 s SER 47 CO 0.50 0.00 0.97 -2.16 0.41 0.00 0.00 173.24 172.96 1y55 s PRO 48 N -1.22 4.12 0.11 12.44 0.04 -1.25 -0.20 135.00 149.03 1y55 s PRO 48 Ca 0.00 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.17 1y55 s PRO 48 Cb -0.08 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1y55 s PRO 48 CO 0.01 -0.13 -0.12 -0.48 0.04 0.00 0.00 177.00 176.32 1y55 s LEU 49 N -3.47 2.39 -0.09 -3.56 0.05 -0.52 -1.83 118.68 111.65 1y55 s LEU 49 Ca 0.61 -0.80 -0.05 0.00 0.05 0.00 0.00 54.13 53.95 1y55 s LEU 49 Cb -0.10 -0.43 0.04 0.00 -2.05 0.00 0.00 46.19 43.65 1y55 s LEU 49 CO 0.19 -0.19 0.22 -0.22 -0.55 0.00 0.00 176.35 175.79 1y55 s LEU 50 N -2.40 0.61 0.00 1.48 2.96 -0.59 -2.01 118.68 118.73 1y55 s LEU 50 Ca 0.06 0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 54.35 1y55 s LEU 50 Cb -0.04 0.64 0.03 0.00 0.50 0.00 0.00 46.19 47.32 1y55 s LEU 50 CO 0.02 -0.15 0.46 0.61 -1.32 0.00 0.00 176.35 175.97 1y55 n GLY 51 N 4.03 1.64 2.83 7.98 0.00 -0.20 -1.12 105.19 120.36 1y55 n GLY 51 Ca -0.24 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 1y55 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y55 s ILE 52 N -2.49 0.10 0.27 -0.61 1.01 -0.33 -1.21 121.20 117.94 1y55 s ILE 52 Ca 0.13 0.06 0.10 0.00 0.00 0.00 0.00 60.65 60.94 1y55 s ILE 52 Cb -0.03 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 1y55 s ILE 52 CO 0.10 0.09 -0.04 0.00 0.00 0.00 0.00 174.94 175.09 1y55 s GLN 53 N 0.65 2.19 0.53 2.79 -2.07 0.40 -1.45 119.66 122.70 1y55 s GLN 53 Ca -0.06 -1.48 -0.19 0.00 -1.82 0.00 0.00 55.36 51.81 1y55 s GLN 53 Cb -0.09 -2.09 -0.06 0.00 -1.09 0.00 0.00 33.01 29.67 1y55 s GLN 53 CO -0.01 0.36 1.08 -1.01 -1.32 0.00 0.00 175.29 174.38 1y55 s HIS 54 N -2.36 2.85 -0.21 9.60 3.76 -0.64 -4.26 115.29 124.04 1y55 s HIS 54 Ca 0.31 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.78 1y55 s HIS 54 Cb -0.06 -3.14 -0.13 0.00 1.11 0.00 0.00 32.58 30.35 1y55 s HIS 54 CO 0.19 -1.19 -0.20 1.63 -0.85 0.00 0.00 174.74 174.32 1y55 n LYS 55 N -1.33 0.52 0.09 1.40 4.76 -1.26 -4.65 118.16 117.70 1y55 n LYS 55 Ca 0.10 0.13 -0.16 0.00 -2.87 0.00 0.00 58.31 55.52 1y55 n LYS 55 Cb 0.52 -1.41 -0.10 0.00 -1.84 0.00 0.00 35.03 32.20 1y55 n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1y55 h ARG 56 N -0.10 0.36 -6.84 1.97 3.08 -1.98 -3.46 114.38 107.42 1y55 h ARG 56 Ca -0.49 -0.51 -0.53 0.00 0.07 0.00 0.00 59.98 58.53 1y55 h ARG 56 Cb 1.70 0.17 0.07 0.00 0.08 0.00 0.00 29.97 32.00 1y55 h ARG 56 CO -0.11 1.20 0.71 0.00 -1.07 0.00 0.00 179.97 180.70 1y55 s ALA 57 N -2.89 3.56 0.37 0.04 0.00 -1.26 -4.92 121.76 116.66 1y55 s ALA 57 Ca -0.05 1.34 0.10 0.00 0.00 0.00 0.00 51.96 53.35 1y55 s ALA 57 Cb 0.07 -3.53 0.73 0.00 0.00 0.00 0.00 23.12 20.40 1y55 s ALA 57 CO 0.88 -0.75 1.86 0.77 0.00 0.00 0.00 175.76 178.53 1y55 h SER 58 N 3.97 0.15 -2.36 0.00 0.02 -1.94 -3.33 113.55 110.06 1y55 h SER 58 Ca -0.48 -0.04 -0.59 0.00 -0.84 0.00 0.00 61.79 59.84 1y55 h SER 58 Cb 1.22 -0.04 -0.41 0.00 0.14 0.00 0.00 62.40 63.32 1y55 h SER 58 CO 0.70 0.41 -0.79 0.00 -1.14 0.00 0.00 176.83 176.01 1y55 n GLN 59 N -4.19 1.53 -2.36 3.45 6.02 -1.26 -1.94 117.38 118.62 1y55 n GLN 59 Ca -0.01 -4.02 -0.36 0.00 -0.01 0.00 0.00 57.00 52.61 1y55 n GLN 59 Cb 0.34 -1.90 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 1y55 n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1y55 s PRO 60 N -1.52 3.68 0.65 -1.09 0.04 -1.25 -4.60 135.00 130.90 1y55 s PRO 60 Ca 0.34 1.59 -0.10 0.00 0.04 0.00 0.00 61.00 62.87 1y55 s PRO 60 Cb 0.10 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1y55 s PRO 60 CO -0.10 -0.58 1.03 0.99 0.04 0.00 0.00 177.00 178.39 1y55 s THR 61 N -1.74 4.04 0.23 1.26 2.01 -1.26 -1.58 115.64 118.60 1y55 s THR 61 Ca 0.67 0.56 -0.22 0.00 0.31 0.00 0.00 61.69 63.01 1y55 s THR 61 Cb -0.23 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.67 1y55 s THR 61 CO 0.28 -0.82 0.71 0.72 -0.69 0.00 0.00 174.62 174.82 1y55 s PHE 62 N -3.22 -0.28 0.05 4.92 -0.12 -0.48 -1.62 117.98 117.24 1y55 s PHE 62 Ca 0.56 -0.10 -0.09 0.00 -0.05 0.00 0.00 56.93 57.25 1y55 s PHE 62 Cb -0.11 0.66 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1y55 s PHE 62 CO 0.51 -1.09 0.19 0.20 -0.05 0.00 0.00 175.22 174.98 1y55 s GLY 63 N -2.87 0.05 0.10 1.99 0.00 -0.53 -1.96 107.32 104.10 1y55 s GLY 63 Ca 0.08 -0.35 -0.15 0.00 0.00 0.00 0.00 44.72 44.30 1y55 s GLY 63 CO 0.01 -0.52 0.37 -0.11 0.00 0.00 0.00 173.10 172.85 1y55 s PHE 64 N -2.74 -0.17 -0.10 1.90 -0.12 -0.20 -1.18 117.98 115.37 1y55 s PHE 64 Ca -0.04 -0.09 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 1y55 s PHE 64 Cb -0.00 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.57 1y55 s PHE 64 CO -0.05 -0.64 -0.11 0.99 -0.05 0.00 0.00 175.22 175.36 1y55 s THR 65 N -3.42 3.29 -0.25 -4.49 2.01 -0.27 -0.99 115.64 111.51 1y55 s THR 65 Ca 0.01 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 1y55 s THR 65 Cb 0.01 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 1y55 s THR 65 CO -0.09 0.55 0.05 -0.69 -0.69 0.00 0.00 174.62 173.74 1y55 s VAL 66 N -0.10 4.02 -0.58 3.82 1.01 0.45 -1.55 120.40 127.47 1y55 s VAL 66 Ca -0.01 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1y55 s VAL 66 Cb -0.14 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.39 1y55 s VAL 66 CO 0.03 0.29 0.83 -2.28 0.00 0.00 0.00 175.10 173.98 1y55 s HIS 67 N 1.56 2.85 0.13 5.22 5.65 -0.76 -2.20 115.29 127.74 1y55 s HIS 67 Ca 0.05 -0.49 -0.31 0.00 0.25 0.00 0.00 55.06 54.56 1y55 s HIS 67 Cb -0.15 -4.00 -0.09 0.00 -1.18 0.00 0.00 32.58 27.16 1y55 s HIS 67 CO 0.02 -1.36 1.51 -1.58 -0.65 0.00 0.00 174.74 172.68 1y55 s TRP 68 N 3.43 3.04 -2.27 3.88 0.52 -1.23 -3.84 118.94 122.48 1y55 s TRP 68 Ca 0.20 0.71 0.27 0.00 0.02 0.00 0.00 56.10 57.30 1y55 s TRP 68 Cb -0.18 -3.84 1.24 0.00 -1.15 0.00 0.00 33.47 29.55 1y55 s TRP 68 CO 0.12 -3.08 1.84 0.09 0.02 0.00 0.00 176.95 175.94 1y55 n ASN 69 N 4.21 0.95 0.00 2.95 4.13 -1.26 -3.84 115.26 122.41 1y55 n ASN 69 Ca 0.13 -1.39 0.00 0.00 1.68 0.00 0.00 54.58 55.00 1y55 n ASN 69 Cb 0.40 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 1y55 n ASN 69 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1y55 n PHE 70 N -0.23 0.00 -4.04 3.10 -1.74 -1.26 -4.98 117.46 108.31 1y55 n PHE 70 Ca 0.19 -0.17 -0.12 0.00 -0.56 0.00 0.00 57.45 56.79 1y55 n PHE 70 Cb 0.25 -0.02 -0.04 0.00 1.52 0.00 0.00 39.48 41.19 1y55 n PHE 70 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1y55 s SER 71 N -0.34 0.44 0.00 5.98 1.04 -1.25 -4.97 113.70 114.59 1y55 s SER 71 Ca 0.00 -1.25 0.22 0.00 0.48 0.00 0.00 55.95 55.39 1y55 s SER 71 Cb 0.00 0.64 0.80 0.00 0.10 0.00 0.00 66.02 67.56 1y55 s SER 71 CO 0.00 -1.25 1.58 -0.62 0.98 0.00 0.00 173.24 173.93 1y55 n GLU 72 N -0.48 1.69 -2.25 4.02 -0.58 -1.26 -4.71 120.64 117.07 1y55 n GLU 72 Ca -0.01 -1.03 -0.27 0.00 -0.42 0.00 0.00 57.16 55.43 1y55 n GLU 72 Cb 0.62 -1.40 0.04 0.00 -0.57 0.00 0.00 31.44 30.12 1y55 n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1y55 s SER 73 N -1.62 5.49 -0.00 1.62 0.01 -1.26 -4.36 113.70 113.58 1y55 s SER 73 Ca 0.33 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.39 1y55 s SER 73 Cb 0.18 -1.71 -0.00 0.00 0.21 0.00 0.00 66.02 64.69 1y55 s SER 73 CO 0.27 -1.18 -0.02 -0.89 0.41 0.00 0.00 173.24 171.83 1y55 s THR 74 N -3.11 0.12 -0.00 1.44 2.01 -0.45 -3.54 115.64 112.11 1y55 s THR 74 Ca 0.55 -0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.53 1y55 s THR 74 Cb -0.11 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1y55 s THR 74 CO 0.47 0.02 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.32 1y55 s THR 75 N -0.08 2.59 -0.01 -0.82 2.01 -0.93 -0.31 115.64 118.08 1y55 s THR 75 Ca 0.00 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.00 1y55 s THR 75 Cb -0.01 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1y55 s THR 75 CO -0.00 0.48 -0.17 0.68 -0.69 0.00 0.00 174.62 174.92 1y55 s VAL 76 N -0.77 2.85 -0.01 3.82 -7.23 -0.28 -0.41 120.40 118.37 1y55 s VAL 76 Ca 0.12 -0.95 0.08 0.00 -1.81 0.00 0.00 61.98 59.42 1y55 s VAL 76 Cb -0.10 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 1y55 s VAL 76 CO 0.02 0.49 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.68 1y55 s PHE 77 N -0.80 2.25 0.04 2.82 0.40 -0.16 -1.26 117.98 121.27 1y55 s PHE 77 Ca 0.13 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1y55 s PHE 77 Cb -0.10 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 1y55 s PHE 77 CO 0.02 -0.02 -0.06 -0.08 0.70 0.00 0.00 175.22 175.79 1y55 s THR 78 N -0.62 0.43 -0.22 0.64 -1.32 -0.28 -1.03 115.64 113.23 1y55 s THR 78 Ca 0.10 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.38 1y55 s THR 78 Cb -0.10 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 1y55 s THR 78 CO -0.01 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.49 1y55 n GLY 79 N 1.20 -0.64 2.93 6.08 0.00 -0.83 -1.18 105.19 112.75 1y55 n GLY 79 Ca -0.21 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 1y55 n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y55 s GLN 80 N -0.09 0.18 -0.27 1.61 0.74 -0.73 -1.38 119.66 119.72 1y55 s GLN 80 Ca 0.00 -0.26 -0.16 0.00 0.05 0.00 0.00 55.36 55.00 1y55 s GLN 80 Cb 0.00 -0.04 -0.03 0.00 1.10 0.00 0.00 33.01 34.04 1y55 s GLN 80 CO 0.00 0.00 0.41 0.00 -0.55 0.00 0.00 175.29 175.15 1y55 s PHE 82 N 2.13 3.25 -0.21 0.00 0.08 -0.19 -3.87 117.98 119.17 1y55 s PHE 82 Ca 0.16 0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.42 1y55 s PHE 82 Cb -0.16 -1.78 -0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1y55 s PHE 82 CO 0.10 0.53 -0.07 0.42 -0.10 0.00 0.00 175.22 176.10 1y55 s ILE 83 N -1.03 3.12 1.11 0.64 1.01 -1.26 -1.53 121.20 123.26 1y55 s ILE 83 Ca 0.17 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 1y55 s ILE 83 Cb -0.12 -2.40 0.26 0.00 0.01 0.00 0.00 42.46 40.21 1y55 s ILE 83 CO 0.07 0.45 1.05 -1.81 0.00 0.00 0.00 174.94 174.70 1y55 s ASP 84 N 1.44 1.35 0.56 3.58 -0.00 0.01 -4.88 116.67 118.73 1y55 s ASP 84 Ca 0.06 1.71 0.25 0.00 -0.00 0.00 0.00 52.55 54.56 1y55 s ASP 84 Cb -0.14 -2.39 1.52 0.00 -0.00 0.00 0.00 42.92 41.91 1y55 s ASP 84 CO -0.05 -4.00 2.11 0.08 -0.00 0.00 0.00 175.17 173.30 1y55 h ARG 85 N -2.49 0.00 -0.28 8.23 0.11 -2.00 -1.38 114.38 116.57 1y55 h ARG 85 Ca -0.57 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.51 1y55 h ARG 85 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1y55 h ARG 85 CO 0.48 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.64 1y55 n ASN 86 N -4.12 2.74 0.00 0.08 5.03 -1.26 -4.94 115.26 112.78 1y55 n ASN 86 Ca 0.02 -1.89 0.00 0.00 0.87 0.00 0.00 54.58 53.58 1y55 n ASN 86 Cb 0.30 -0.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1y55 n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1y55 n GLY 87 N 1.35 0.75 3.75 7.41 0.00 -0.52 -5.04 105.19 112.89 1y55 n GLY 87 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1y55 n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y55 s LYS 88 N -0.30 4.79 -0.11 1.61 2.20 -1.26 -4.72 119.74 121.96 1y55 s LYS 88 Ca 0.00 1.53 -0.04 0.00 -0.36 0.00 0.00 55.97 57.11 1y55 s LYS 88 Cb 0.00 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1y55 s LYS 88 CO 0.00 0.40 0.03 -1.21 -0.36 0.00 0.00 175.35 174.21 1y55 s GLU 89 N -0.94 3.24 -0.02 4.03 2.02 -1.26 -0.81 118.70 124.95 1y55 s GLU 89 Ca 0.43 -0.36 0.03 0.00 0.02 0.00 0.00 54.97 55.08 1y55 s GLU 89 Cb -0.26 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1y55 s GLU 89 CO 0.33 0.63 -0.09 0.08 0.02 0.00 0.00 175.26 176.22 1y55 s VAL 90 N -0.65 0.80 -0.26 2.63 1.01 -0.58 -4.39 120.40 118.95 1y55 s VAL 90 Ca 0.11 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 1y55 s VAL 90 Cb -0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1y55 s VAL 90 CO 0.02 0.25 0.28 -0.76 0.00 0.00 0.00 175.10 174.89 1y55 s LEU 91 N 0.13 4.05 -0.26 3.92 1.43 -0.24 -1.02 118.68 126.69 1y55 s LEU 91 Ca -0.02 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1y55 s LEU 91 Cb -0.08 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1y55 s LEU 91 CO 0.00 -0.09 0.20 -0.54 0.23 0.00 0.00 176.35 176.15 1y55 s LYS 92 N 1.76 4.02 0.07 1.70 -0.14 -0.81 -0.84 119.74 125.50 1y55 s LYS 92 Ca 0.11 -0.25 0.03 0.00 -1.36 0.00 0.00 55.97 54.51 1y55 s LYS 92 Cb -0.15 -3.60 -0.03 0.00 -1.68 0.00 0.00 37.83 32.37 1y55 s LYS 92 CO 0.09 -0.07 -0.09 0.95 -0.76 0.00 0.00 175.35 175.47 1y55 s THR 93 N 1.44 0.74 0.16 2.17 -4.23 -0.57 -1.78 115.64 113.58 1y55 s THR 93 Ca 0.08 -1.36 0.09 0.00 -1.18 0.00 0.00 61.69 59.33 1y55 s THR 93 Cb -0.15 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 1y55 s THR 93 CO 0.08 -0.46 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.52 1y55 s MET 94 N -2.18 1.93 0.05 3.99 -1.94 -0.33 -1.57 119.30 119.25 1y55 s MET 94 Ca -0.02 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 1y55 s MET 94 Cb -0.06 -2.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.63 1y55 s MET 94 CO -0.00 0.44 -0.05 1.67 -0.01 0.00 0.00 175.02 177.08 1y55 s TRP 95 N -1.54 0.57 -0.10 -0.03 1.48 -0.23 -1.12 118.94 117.96 1y55 s TRP 95 Ca 0.23 -0.80 0.03 0.00 -1.06 0.00 0.00 56.10 54.49 1y55 s TRP 95 Cb -0.09 -0.37 0.01 0.00 -1.16 0.00 0.00 33.47 31.85 1y55 s TRP 95 CO 0.13 -0.23 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.10 1y55 s LEU 96 N -2.35 1.87 -0.32 -4.66 1.43 -0.39 -2.09 118.68 112.17 1y55 s LEU 96 Ca -0.01 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 1y55 s LEU 96 Cb -0.00 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 45.07 1y55 s LEU 96 CO -0.05 0.07 0.08 -0.22 0.23 0.00 0.00 176.35 176.47 1y55 s LEU 97 N 0.68 4.13 -0.27 1.79 2.96 0.16 -1.13 118.68 127.00 1y55 s LEU 97 Ca -0.13 -1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 52.61 1y55 s LEU 97 Cb -0.16 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1y55 s LEU 97 CO 0.03 -0.28 0.32 -0.60 -1.32 0.00 0.00 176.35 174.49 1y55 s ARG 98 N 1.41 4.00 0.35 1.98 6.06 0.57 -1.06 118.95 132.27 1y55 s ARG 98 Ca -0.01 -0.06 -0.06 0.00 -2.50 0.00 0.00 55.73 53.10 1y55 s ARG 98 Cb -0.19 -3.65 -0.05 0.00 0.06 0.00 0.00 34.95 31.12 1y55 s ARG 98 CO 0.02 -0.23 0.64 -1.12 -2.50 0.00 0.00 175.30 172.11 1y55 s SER 99 N 1.64 6.44 -0.11 -2.12 0.01 0.13 -1.34 113.70 118.34 1y55 s SER 99 Ca 0.13 0.84 -0.27 0.00 1.31 0.00 0.00 55.95 57.96 1y55 s SER 99 Cb -0.16 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 1y55 s SER 99 CO 0.10 -0.30 0.88 -0.55 0.41 0.00 0.00 173.24 173.77 1y55 s SER 100 N -3.33 7.09 0.34 2.44 0.15 -1.26 -4.86 113.70 114.28 1y55 s SER 100 Ca 0.46 1.34 0.09 0.00 0.70 0.00 0.00 55.95 58.54 1y55 s SER 100 Cb -0.10 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1y55 s SER 100 CO 0.32 -0.34 0.03 0.68 1.20 0.00 0.00 173.24 175.13 1y55 s VAL 101 N 1.72 2.65 0.19 4.45 -7.23 -1.26 -5.06 120.40 115.87 1y55 s VAL 101 Ca 0.43 -1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 58.60 1y55 s VAL 101 Cb -0.18 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 1y55 s VAL 101 CO 0.17 -0.19 1.56 0.78 -0.31 0.00 0.00 175.10 177.11 1y55 h ASN 102 N 1.78 0.79 -5.01 4.85 2.35 -1.97 -3.47 115.58 114.90 1y55 h ASN 102 Ca -0.43 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.02 1y55 h ASN 102 Cb 1.25 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 1y55 h ASN 102 CO 0.67 1.06 0.23 1.51 -1.65 0.00 0.00 177.43 179.25 1y55 s ASP 103 N -6.82 -0.17 0.55 5.81 1.47 -1.26 -5.05 116.67 111.20 1y55 s ASP 103 Ca -0.09 -0.79 0.28 0.00 1.18 0.00 0.00 52.55 53.13 1y55 s ASP 103 Cb 0.12 0.77 1.60 0.00 -0.34 0.00 0.00 42.92 45.06 1y55 s ASP 103 CO 0.85 -1.45 2.15 -0.29 0.68 0.00 0.00 175.17 177.11 1y55 h ILE 104 N 2.01 0.57 0.00 2.11 2.10 -2.02 -1.47 117.51 120.81 1y55 h ILE 104 Ca -0.23 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.41 1y55 h ILE 104 Cb 1.25 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 38.17 1y55 h ILE 104 CO 0.29 0.07 0.00 0.77 -1.08 0.00 0.00 178.15 178.20 1y55 h SER 105 N 0.00 0.00 -0.24 2.19 4.64 -2.00 -1.97 113.55 116.17 1y55 h SER 105 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y55 h SER 105 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1y55 h SER 105 CO 0.01 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 1y55 n TYR 106 N -3.02 0.30 -0.17 4.77 4.01 -0.55 -4.59 117.16 117.91 1y55 n TYR 106 Ca -0.02 -0.15 0.11 0.00 -0.16 0.00 0.00 57.90 57.69 1y55 n TYR 106 Cb 0.14 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 39.60 1y55 n TYR 106 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1y55 h ASP 107 N 4.35 0.51 -0.49 7.72 3.58 -1.45 -2.49 116.42 128.14 1y55 h ASP 107 Ca 0.00 0.02 0.14 0.00 0.42 0.00 0.00 57.03 57.61 1y55 h ASP 107 Cb 0.94 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 1y55 h ASP 107 CO 0.00 0.29 0.38 4.11 -2.88 0.00 0.00 179.24 181.14 1y55 h TRP 108 N 0.56 0.00 -0.57 0.28 5.08 -1.81 -1.99 115.95 117.49 1y55 h TRP 108 Ca 0.34 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.31 1y55 h TRP 108 Cb 0.58 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.74 1y55 h TRP 108 CO -0.00 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.52 1y55 n LYS 109 N -4.25 3.15 0.00 0.12 2.85 -0.94 -4.62 118.16 114.48 1y55 n LYS 109 Ca 0.09 -2.62 0.13 0.00 -1.05 0.00 0.00 58.31 54.86 1y55 n LYS 109 Cb 0.59 -1.64 0.39 0.00 -0.65 0.00 0.00 35.03 33.72 1y55 n LYS 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1y55 n ALA 110 N 1.02 3.02 -3.97 0.58 0.00 -0.75 -4.82 120.51 115.59 1y55 n ALA 110 Ca 0.22 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 1y55 n ALA 110 Cb 0.70 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.85 1y55 n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1y55 s THR 111 N -2.44 1.43 0.13 0.00 2.01 -1.26 -0.70 115.64 114.82 1y55 s THR 111 Ca 0.26 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1y55 s THR 111 Cb 0.19 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1y55 s THR 111 CO 0.50 0.31 0.28 -0.13 -0.69 0.00 0.00 174.62 174.89 1y55 s ARG 112 N 1.52 3.46 0.07 4.92 0.52 -0.22 -4.94 118.95 124.28 1y55 s ARG 112 Ca 0.03 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.79 1y55 s ARG 112 Cb -0.14 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 1y55 s ARG 112 CO -0.09 0.52 -0.14 0.54 0.02 0.00 0.00 175.30 176.15 1y55 s VAL 113 N -1.70 1.11 0.00 3.52 0.11 -1.26 -0.67 120.40 121.52 1y55 s VAL 113 Ca 0.35 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1y55 s VAL 113 Cb -0.12 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1y55 s VAL 113 CO 0.28 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 1y55 n GLY 114 N 1.30 1.23 3.43 6.54 0.00 -0.89 -5.00 105.19 111.79 1y55 n GLY 114 Ca -0.21 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1y55 n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y55 s TYR 115 N -5.03 1.97 -0.23 1.61 -0.85 -1.26 -1.07 117.35 112.48 1y55 s TYR 115 Ca 0.00 -0.65 -0.18 0.00 -0.52 0.00 0.00 57.07 55.72 1y55 s TYR 115 Cb 0.00 -1.08 0.06 0.00 0.38 0.00 0.00 41.96 41.32 1y55 s TYR 115 CO 0.00 0.33 0.59 -0.80 -1.52 0.00 0.00 175.55 174.16 1y55 s ASN 116 N -3.44 -0.67 -0.18 -0.18 0.02 -0.61 -4.91 114.94 104.97 1y55 s ASN 116 Ca 0.29 1.23 -0.06 0.00 -1.02 0.00 0.00 52.86 53.29 1y55 s ASN 116 Cb 0.03 1.20 -0.04 0.00 0.02 0.00 0.00 41.25 42.46 1y55 s ASN 116 CO 0.12 -0.21 0.03 0.20 0.02 0.00 0.00 177.10 177.25 1y55 s ASN 117 N 0.70 5.29 0.02 -1.22 0.01 -1.26 -1.51 114.94 116.97 1y55 s ASN 117 Ca -0.03 -0.01 0.07 0.00 -0.71 0.00 0.00 52.86 52.17 1y55 s ASN 117 Cb -0.05 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 1y55 s ASN 117 CO -0.05 0.16 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.15 1y55 s PHE 118 N 0.45 2.52 0.20 2.20 0.08 -0.02 -2.20 117.98 121.22 1y55 s PHE 118 Ca 0.01 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 56.81 1y55 s PHE 118 Cb -0.13 -1.49 -0.05 0.00 -0.57 0.00 0.00 43.02 40.78 1y55 s PHE 118 CO 0.01 0.19 -0.03 0.95 -0.10 0.00 0.00 175.22 176.24 1y55 s THR 119 N -0.84 1.03 0.38 0.64 -4.23 -0.35 -1.08 115.64 111.19 1y55 s THR 119 Ca 0.13 -2.04 -0.25 0.00 -1.18 0.00 0.00 61.69 58.35 1y55 s THR 119 Cb -0.10 -2.19 -0.09 0.00 1.34 0.00 0.00 72.50 71.46 1y55 s THR 119 CO 0.03 -0.45 1.09 -0.13 -0.54 0.00 0.00 174.62 174.63 1y55 s ARG 120 N -3.84 4.21 0.07 3.99 0.52 -1.26 -0.97 118.95 121.68 1y55 s ARG 120 Ca 0.25 1.66 -0.22 0.00 -0.52 0.00 0.00 55.73 56.90 1y55 s ARG 120 Cb 0.05 -2.70 -0.13 0.00 0.52 0.00 0.00 34.95 32.69 1y55 s ARG 120 CO 0.06 -0.13 1.61 1.25 0.02 0.00 0.00 175.30 178.11 1y55 h LEU 121 N 2.78 0.13 -1.07 2.53 5.85 -1.47 -3.44 115.31 120.62 1y55 h LEU 121 Ca -0.48 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1y55 h LEU 121 Cb 1.22 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1y55 h LEU 121 CO 0.63 0.25 0.00 -0.24 -0.34 0.00 0.00 178.44 178.74