#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y52 s SER 5 N -0.69 6.97 0.30 0.00 0.15 -1.26 -4.75 113.70 114.41 1y52 s SER 5 Ca 0.29 1.62 0.23 0.00 0.70 0.00 0.00 55.95 58.80 1y52 s SER 5 Cb 0.01 -2.51 0.30 0.00 -1.71 0.00 0.00 66.02 62.10 1y52 s SER 5 CO -0.18 -0.27 1.42 -0.07 1.20 0.00 0.00 173.24 175.33 1y52 h LEU 6 N 2.21 0.00 -9.43 3.45 4.07 -1.96 -3.47 115.31 110.18 1y52 h LEU 6 Ca -0.48 -0.03 -0.62 0.00 0.08 0.00 0.00 57.88 56.83 1y52 h LEU 6 Cb 1.18 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.98 1y52 h LEU 6 CO 0.63 0.01 0.62 0.41 -1.08 0.00 0.00 178.44 179.03 1y52 n THR 7 N -2.73 0.23 0.00 0.22 -1.04 -1.26 -4.50 114.28 105.20 1y52 n THR 7 Ca 0.03 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1y52 n THR 7 Cb 0.51 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 1y52 n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y52 n GLY 8 N 2.82 0.77 3.63 3.41 0.00 -0.20 -4.94 105.19 110.68 1y52 n GLY 8 Ca 0.16 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 1y52 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y52 s LYS 9 N -1.40 2.69 0.02 1.61 1.02 -1.26 -0.52 119.74 121.89 1y52 s LYS 9 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1y52 s LYS 9 Cb 0.00 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 1y52 s LYS 9 CO 0.00 0.63 -0.03 -1.58 -0.92 0.00 0.00 175.35 173.45 1y52 s TRP 10 N -0.99 0.23 0.15 3.18 0.52 0.25 -1.10 118.94 121.17 1y52 s TRP 10 Ca 0.17 -0.37 0.10 0.00 0.02 0.00 0.00 56.10 56.02 1y52 s TRP 10 Cb -0.11 -0.16 -0.04 0.00 -1.15 0.00 0.00 33.47 32.01 1y52 s TRP 10 CO 0.07 -0.12 -0.24 0.99 0.02 0.00 0.00 176.95 177.67 1y52 s THR 11 N -1.01 2.11 0.53 2.01 2.01 -0.23 -1.16 115.64 119.89 1y52 s THR 11 Ca -0.11 -1.82 0.04 0.00 0.31 0.00 0.00 61.69 60.11 1y52 s THR 11 Cb -0.07 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.54 1y52 s THR 11 CO -0.01 -0.06 0.25 0.54 -0.69 0.00 0.00 174.62 174.65 1y52 s ASN 12 N -2.30 4.44 0.41 3.53 2.20 -0.64 -1.33 114.94 121.24 1y52 s ASN 12 Ca 0.15 -1.41 0.29 0.00 -0.94 0.00 0.00 52.86 50.95 1y52 s ASN 12 Cb -0.09 0.46 1.39 0.00 -2.00 0.00 0.00 41.25 41.02 1y52 s ASN 12 CO 0.07 -1.01 1.87 -0.55 -2.94 0.00 0.00 177.10 174.54 1y52 h ASN 13 N 0.98 0.00 0.36 3.54 -1.07 -1.81 -1.14 115.58 116.44 1y52 h ASN 13 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.97 1y52 h ASN 13 Cb 1.31 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.56 1y52 h ASN 13 CO 0.64 0.00 -0.46 0.18 0.07 0.00 0.00 177.43 177.86 1y52 n LEU 14 N -2.56 0.75 0.00 6.14 4.77 -1.26 -4.96 117.00 119.88 1y52 n LEU 14 Ca -0.00 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1y52 n LEU 14 Cb 0.15 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1y52 n LEU 14 CO 0.18 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1y52 n GLY 15 N 1.45 0.75 3.77 -0.72 0.00 -0.43 -4.73 105.19 105.27 1y52 n GLY 15 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1y52 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y52 s SER 16 N -2.52 5.50 -0.06 1.61 0.01 -1.26 -4.53 113.70 112.44 1y52 s SER 16 Ca 0.00 2.20 0.06 0.00 1.31 0.00 0.00 55.95 59.52 1y52 s SER 16 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1y52 s SER 16 CO 0.00 -1.37 -0.24 -0.63 0.41 0.00 0.00 173.24 171.40 1y52 s ILE 17 N -1.81 2.02 -0.01 1.44 1.01 -0.40 -1.63 121.20 121.82 1y52 s ILE 17 Ca 0.73 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1y52 s ILE 17 Cb -0.25 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.50 1y52 s ILE 17 CO 0.30 0.56 -0.09 -0.32 0.00 0.00 0.00 174.94 175.40 1y52 s MET 18 N -0.06 0.78 -0.13 2.79 -2.45 -0.31 -0.23 119.30 119.70 1y52 s MET 18 Ca -0.07 -0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1y52 s MET 18 Cb -0.14 -0.75 -0.00 0.00 1.25 0.00 0.00 34.83 35.18 1y52 s MET 18 CO 0.05 0.17 -0.19 0.99 1.05 0.00 0.00 175.02 177.08 1y52 s THR 19 N -0.08 2.44 -0.15 10.11 2.01 -0.04 -0.59 115.64 129.34 1y52 s THR 19 Ca 0.01 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 1y52 s THR 19 Cb -0.05 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1y52 s THR 19 CO -0.00 0.54 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.75 1y52 s ILE 20 N 0.58 3.38 0.00 1.82 1.01 0.32 -1.31 121.20 126.99 1y52 s ILE 20 Ca -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1y52 s ILE 20 Cb -0.16 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1y52 s ILE 20 CO 0.04 0.51 0.00 0.54 0.00 0.00 0.00 174.94 176.02 1y52 n ARG 21 N 3.63 1.88 -2.02 2.79 1.74 -0.45 -1.03 116.66 123.21 1y52 n ARG 21 Ca -0.18 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 1y52 n ARG 21 Cb 0.52 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.94 1y52 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y52 s ALA 22 N -3.22 3.59 -0.23 7.54 0.00 -1.26 -4.36 121.76 123.82 1y52 s ALA 22 Ca 0.00 1.33 -0.18 0.00 0.00 0.00 0.00 51.96 53.11 1y52 s ALA 22 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1y52 s ALA 22 CO 0.00 -0.75 0.52 0.08 0.00 0.00 0.00 175.76 175.62 1y52 s VAL 23 N -0.37 5.08 0.67 0.00 1.01 -1.26 -4.50 120.40 121.03 1y52 s VAL 23 Ca 0.56 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.36 1y52 s VAL 23 Cb -0.42 -3.84 0.16 0.00 0.00 0.00 0.00 36.38 32.28 1y52 s VAL 23 CO 0.47 0.13 0.86 -0.46 0.00 0.00 0.00 175.10 176.10 1y52 n ASN 24 N 5.18 -0.19 0.27 3.32 0.23 -0.38 -4.85 115.26 118.84 1y52 n ASN 24 Ca -0.04 -1.27 0.16 0.00 -0.53 0.00 0.00 54.58 52.90 1y52 n ASN 24 Cb 0.50 -0.67 0.71 0.00 -2.08 0.00 0.00 39.78 38.23 1y52 n ASN 24 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1y52 h SER 25 N -1.30 0.00 -0.13 0.53 4.64 -1.98 -1.77 113.55 113.54 1y52 h SER 25 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1y52 h SER 25 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1y52 h SER 25 CO 0.20 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.76 1y52 n ARG 26 N -3.23 1.56 -0.89 4.77 1.74 -1.26 -4.93 116.66 114.42 1y52 n ARG 26 Ca -0.00 -0.85 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 1y52 n ARG 26 Cb 0.29 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1y52 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y52 n GLY 27 N 1.04 0.63 3.84 -0.13 0.00 -0.66 -4.79 105.19 105.12 1y52 n GLY 27 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1y52 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y52 s GLU 28 N -0.11 4.10 0.01 1.61 2.02 -1.26 -0.62 118.70 124.44 1y52 s GLU 28 Ca 0.00 0.76 -0.19 0.00 0.02 0.00 0.00 54.97 55.55 1y52 s GLU 28 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.71 1y52 s GLU 28 CO 0.00 0.22 0.43 -0.59 0.02 0.00 0.00 175.26 175.34 1y52 s PHE 29 N -1.85 -0.31 0.41 1.61 -0.12 -0.31 -1.26 117.98 116.15 1y52 s PHE 29 Ca 0.51 0.41 0.07 0.00 -0.05 0.00 0.00 56.93 57.87 1y52 s PHE 29 Cb -0.12 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.44 1y52 s PHE 29 CO 0.18 -0.52 0.21 0.95 -0.05 0.00 0.00 175.22 175.99 1y52 s THR 30 N -1.88 2.43 -0.00 -4.49 -4.23 -1.26 -1.31 115.64 104.91 1y52 s THR 30 Ca -0.09 -1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1y52 s THR 30 Cb -0.02 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1y52 s THR 30 CO 0.02 -0.02 0.02 0.61 -0.54 0.00 0.00 174.62 174.71 1y52 n GLY 31 N -1.28 0.65 3.17 3.99 0.00 -0.82 -1.34 105.19 109.56 1y52 n GLY 31 Ca -0.01 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1y52 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y52 s THR 32 N -2.16 0.83 -0.06 2.61 -4.23 -0.43 -1.68 115.64 110.51 1y52 s THR 32 Ca 0.00 -1.77 -0.02 0.00 -1.18 0.00 0.00 61.69 58.72 1y52 s THR 32 Cb -0.00 -1.49 0.04 0.00 1.34 0.00 0.00 72.50 72.39 1y52 s THR 32 CO -0.00 -0.70 0.11 -0.47 -0.54 0.00 0.00 174.62 173.02 1y52 s TYR 33 N -2.96 -0.08 -0.41 3.99 6.14 0.10 -0.86 117.35 123.27 1y52 s TYR 33 Ca 0.08 0.42 -0.04 0.00 0.64 0.00 0.00 57.07 58.17 1y52 s TYR 33 Cb 0.01 -0.30 0.11 0.00 0.42 0.00 0.00 41.96 42.20 1y52 s TYR 33 CO -0.02 -0.21 0.21 -1.17 0.64 0.00 0.00 175.55 175.01 1y52 s LEU 34 N 1.92 5.24 0.33 6.97 2.96 0.68 -1.96 118.68 134.83 1y52 s LEU 34 Ca 0.00 -1.96 -0.27 0.00 -0.22 0.00 0.00 54.13 51.68 1y52 s LEU 34 Cb -0.12 -1.85 -0.09 0.00 0.50 0.00 0.00 46.19 44.62 1y52 s LEU 34 CO -0.05 -0.55 1.10 0.28 -1.32 0.00 0.00 176.35 175.81 1y52 s THR 35 N 1.19 3.49 -0.52 3.68 -1.32 -1.26 -1.27 115.64 119.62 1y52 s THR 35 Ca 0.07 1.36 0.24 0.00 -1.21 0.00 0.00 61.69 62.15 1y52 s THR 35 Cb -0.23 -3.81 0.26 0.00 -1.51 0.00 0.00 72.50 67.21 1y52 s THR 35 CO -0.03 0.22 1.57 0.00 -2.21 0.00 0.00 174.62 174.17 1y52 h ALA 36 N 3.28 0.91 -2.93 11.08 0.00 -1.85 -3.47 119.26 126.27 1y52 h ALA 36 Ca -0.47 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.13 1y52 h ALA 36 Cb 1.22 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 1y52 h ALA 36 CO 0.65 0.00 -0.74 0.14 0.00 0.00 0.00 179.25 179.30 1y52 s VAL 37 N -3.19 0.81 0.23 0.00 -7.23 -1.26 -5.01 120.40 104.75 1y52 s VAL 37 Ca 0.07 -1.43 -0.22 0.00 -1.81 0.00 0.00 61.98 58.58 1y52 s VAL 37 Cb 0.08 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.96 1y52 s VAL 37 CO 0.67 -0.48 0.81 0.00 -0.31 0.00 0.00 175.10 175.78 1y52 s ALA 38 N -2.03 -1.38 0.30 1.32 0.00 -1.26 -4.98 121.76 113.72 1y52 s ALA 38 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 1y52 s ALA 38 Cb -0.05 0.77 0.47 0.00 0.00 0.00 0.00 23.12 24.31 1y52 s ALA 38 CO -0.00 -1.04 1.93 -0.44 0.00 0.00 0.00 175.76 176.22 1y52 h ASP 39 N 2.00 0.95 -2.81 0.00 3.32 -2.02 -3.33 116.42 114.53 1y52 h ASP 39 Ca -0.21 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.23 1y52 h ASP 39 Cb 1.24 -0.21 -0.40 0.00 0.22 0.00 0.00 39.33 40.18 1y52 h ASP 39 CO 0.24 0.64 -0.79 0.20 -1.72 0.00 0.00 179.24 177.82 1y52 s ASN 40 N -6.12 3.06 0.55 6.45 0.01 -1.26 -5.00 114.94 112.63 1y52 s ASN 40 Ca -0.12 -3.28 0.29 0.00 -0.71 0.00 0.00 52.86 49.04 1y52 s ASN 40 Cb 0.19 -0.97 1.62 0.00 0.41 0.00 0.00 41.25 42.50 1y52 s ASN 40 CO 0.80 -0.15 2.15 1.55 -1.51 0.00 0.00 177.10 179.93 1y52 h PRO 41 N 5.74 0.00 0.00 -0.60 0.13 -1.94 -0.33 132.00 134.99 1y52 h PRO 41 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1y52 h PRO 41 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1y52 h PRO 41 CO 0.51 0.07 0.00 0.78 -0.23 0.00 0.00 178.00 179.14 1y52 h GLY 42 N 0.53 0.00 0.41 1.56 0.00 -1.94 -2.65 103.07 100.98 1y52 h GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y52 h GLY 42 CO 0.01 0.00 -0.46 0.70 0.00 0.00 0.00 176.54 176.79 1y52 n ASN 43 N -2.96 0.90 -4.70 0.19 3.02 -0.14 -4.99 115.26 106.59 1y52 n ASN 43 Ca -0.02 -0.70 -0.44 0.00 -0.03 0.00 0.00 54.58 53.39 1y52 n ASN 43 Cb 0.11 0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1y52 n ASN 43 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1y52 n ILE 44 N -1.03 0.26 -4.16 2.41 5.41 -1.00 -4.76 119.36 116.48 1y52 n ILE 44 Ca 0.08 -0.06 -0.10 0.00 1.00 0.00 0.00 62.75 63.66 1y52 n ILE 44 Cb 0.35 -1.77 -0.10 0.00 -0.71 0.00 0.00 39.64 37.41 1y52 n ILE 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1y52 s THR 45 N 0.76 0.66 0.21 1.39 -4.23 -1.26 -5.10 115.64 108.07 1y52 s THR 45 Ca 0.74 -1.89 -0.32 0.00 -1.18 0.00 0.00 61.69 59.04 1y52 s THR 45 Cb -0.58 -1.63 -0.14 0.00 1.34 0.00 0.00 72.50 71.49 1y52 s THR 45 CO 0.39 -0.86 1.44 -0.11 -0.54 0.00 0.00 174.62 174.93 1y52 n LEU 46 N 0.03 2.95 -4.09 4.79 7.94 -1.26 -4.73 117.00 122.63 1y52 n LEU 46 Ca -0.13 1.12 -0.17 0.00 -1.11 0.00 0.00 56.01 55.72 1y52 n LEU 46 Cb 0.61 -1.41 -0.13 0.00 0.53 0.00 0.00 43.42 43.02 1y52 n LEU 46 CO 0.30 -0.50 -0.44 -0.44 -1.11 0.00 0.00 177.39 175.19 1y52 s SER 47 N 0.45 1.28 0.43 1.96 0.01 -0.83 -4.71 113.70 112.30 1y52 s SER 47 Ca 0.72 -0.43 -0.21 0.00 1.31 0.00 0.00 55.95 57.34 1y52 s SER 47 Cb -0.68 -0.06 -0.11 0.00 0.21 0.00 0.00 66.02 65.38 1y52 s SER 47 CO 0.46 -0.03 0.96 -2.16 0.41 0.00 0.00 173.24 172.88 1y52 s PRO 48 N -1.11 4.19 0.18 12.44 0.04 -1.25 -0.72 135.00 148.78 1y52 s PRO 48 Ca -0.02 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.23 1y52 s PRO 48 Cb -0.08 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1y52 s PRO 48 CO 0.01 -0.06 -0.13 -0.48 0.04 0.00 0.00 177.00 176.38 1y52 s LEU 49 N -3.21 2.54 -0.09 -3.56 0.05 -0.68 -1.57 118.68 112.17 1y52 s LEU 49 Ca 0.62 -1.01 -0.05 0.00 0.05 0.00 0.00 54.13 53.74 1y52 s LEU 49 Cb -0.10 -0.56 0.04 0.00 -2.05 0.00 0.00 46.19 43.52 1y52 s LEU 49 CO 0.14 -0.22 0.21 -0.22 -0.55 0.00 0.00 176.35 175.71 1y52 s LEU 50 N -3.25 0.58 0.00 1.48 2.96 -0.63 -1.95 118.68 117.88 1y52 s LEU 50 Ca 0.20 0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 54.51 1y52 s LEU 50 Cb 0.00 0.63 0.02 0.00 0.50 0.00 0.00 46.19 47.35 1y52 s LEU 50 CO 0.05 -0.15 0.51 0.61 -1.32 0.00 0.00 176.35 176.04 1y52 n GLY 51 N 4.09 1.85 2.89 7.98 0.00 -0.43 -1.07 105.19 120.50 1y52 n GLY 51 Ca -0.24 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 1y52 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y52 s ILE 52 N -2.58 0.21 0.28 -0.61 1.01 -0.58 -1.16 121.20 117.78 1y52 s ILE 52 Ca 0.21 -0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.90 1y52 s ILE 52 Cb -0.02 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.19 1y52 s ILE 52 CO 0.15 0.08 -0.14 0.00 0.00 0.00 0.00 174.94 175.03 1y52 s GLN 53 N 0.19 1.84 0.19 2.79 -2.07 0.21 -1.61 119.66 121.21 1y52 s GLN 53 Ca -0.02 -1.70 -0.30 0.00 -1.82 0.00 0.00 55.36 51.53 1y52 s GLN 53 Cb -0.04 -1.86 -0.08 0.00 -1.09 0.00 0.00 33.01 29.94 1y52 s GLN 53 CO -0.00 0.32 1.10 -1.01 -1.32 0.00 0.00 175.29 174.38 1y52 s HIS 54 N -2.47 3.59 -0.12 9.60 3.76 -0.77 -4.34 115.29 124.54 1y52 s HIS 54 Ca 0.31 1.60 -0.09 0.00 -0.15 0.00 0.00 55.06 56.73 1y52 s HIS 54 Cb -0.05 -3.28 -0.26 0.00 1.11 0.00 0.00 32.58 30.10 1y52 s HIS 54 CO 0.16 -0.62 0.39 0.87 -0.85 0.00 0.00 174.74 174.70 1y52 h LYS 55 N 4.98 0.26 0.00 1.40 1.79 -1.92 -3.39 116.57 119.69 1y52 h LYS 55 Ca -0.45 -0.45 -0.19 0.00 -2.18 0.00 0.00 60.65 57.39 1y52 h LYS 55 Cb 1.21 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 32.00 1y52 h LYS 55 CO 0.72 1.21 -1.00 0.00 -1.08 0.00 0.00 179.45 179.30 1y52 h ARG 56 N -0.02 0.00 -6.93 3.15 3.08 -1.98 -3.47 114.38 108.22 1y52 h ARG 56 Ca -0.41 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.13 1y52 h ARG 56 Cb 1.98 0.00 0.06 0.00 0.08 0.00 0.00 29.97 32.10 1y52 h ARG 56 CO 0.08 0.74 0.57 0.00 -1.07 0.00 0.00 179.97 180.28 1y52 s ALA 57 N -2.78 3.26 0.27 0.04 0.00 -1.26 -4.92 121.76 116.37 1y52 s ALA 57 Ca 0.01 1.12 0.09 0.00 0.00 0.00 0.00 51.96 53.17 1y52 s ALA 57 Cb 0.09 -3.44 0.37 0.00 0.00 0.00 0.00 23.12 20.14 1y52 s ALA 57 CO 0.80 -0.65 1.62 0.66 0.00 0.00 0.00 175.76 178.19 1y52 h SER 58 N 2.82 0.06 -2.63 0.00 4.64 -1.95 -3.34 113.55 113.16 1y52 h SER 58 Ca -0.49 -0.04 -0.60 0.00 -0.47 0.00 0.00 61.79 60.19 1y52 h SER 58 Cb 1.24 -0.02 -0.41 0.00 -0.31 0.00 0.00 62.40 62.90 1y52 h SER 58 CO 0.63 0.64 -0.71 0.00 -0.87 0.00 0.00 176.83 176.52 1y52 n GLN 59 N -3.85 1.56 -2.38 4.77 6.02 -1.26 -3.45 117.38 118.78 1y52 n GLN 59 Ca -0.01 -4.15 -0.34 0.00 -0.01 0.00 0.00 57.00 52.49 1y52 n GLN 59 Cb 0.59 -2.05 -0.02 0.00 1.02 0.00 0.00 30.24 29.78 1y52 n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1y52 s PRO 60 N -1.38 3.60 0.52 -1.09 0.04 -1.25 -4.62 135.00 130.82 1y52 s PRO 60 Ca 0.31 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 1y52 s PRO 60 Cb 0.04 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1y52 s PRO 60 CO -0.13 -0.60 0.82 0.99 0.04 0.00 0.00 177.00 178.11 1y52 s THR 61 N -2.02 4.46 0.23 1.26 2.01 -1.26 -1.61 115.64 118.71 1y52 s THR 61 Ca 0.68 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 62.56 1y52 s THR 61 Cb -0.18 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.66 1y52 s THR 61 CO 0.25 -0.70 0.74 0.72 -0.69 0.00 0.00 174.62 174.94 1y52 s PHE 62 N -2.82 -0.25 0.05 4.92 -0.12 -0.55 -1.85 117.98 117.37 1y52 s PHE 62 Ca 0.50 -0.13 -0.09 0.00 -0.05 0.00 0.00 56.93 57.16 1y52 s PHE 62 Cb -0.10 0.66 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1y52 s PHE 62 CO 0.45 -1.07 0.19 0.20 -0.05 0.00 0.00 175.22 174.94 1y52 s GLY 63 N -2.87 0.05 0.08 1.99 0.00 -0.63 -1.73 107.32 104.21 1y52 s GLY 63 Ca 0.09 -0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.27 1y52 s GLY 63 CO 0.02 -0.56 0.38 -0.11 0.00 0.00 0.00 173.10 172.83 1y52 s PHE 64 N -2.94 -0.19 -0.13 1.90 -0.12 -0.18 -1.52 117.98 114.79 1y52 s PHE 64 Ca -0.02 -0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 56.83 1y52 s PHE 64 Cb 0.01 0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1y52 s PHE 64 CO -0.06 -0.62 -0.10 0.99 -0.05 0.00 0.00 175.22 175.38 1y52 s THR 65 N -3.20 3.38 -0.29 -4.49 2.01 -0.23 -0.93 115.64 111.89 1y52 s THR 65 Ca -0.01 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 1y52 s THR 65 Cb 0.01 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1y52 s THR 65 CO -0.08 0.52 0.12 -0.69 -0.69 0.00 0.00 174.62 173.81 1y52 s VAL 66 N 0.21 4.51 -0.58 3.82 1.01 0.36 -1.60 120.40 128.12 1y52 s VAL 66 Ca -0.06 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1y52 s VAL 66 Cb -0.15 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.07 1y52 s VAL 66 CO 0.04 0.17 0.82 -2.28 0.00 0.00 0.00 175.10 173.85 1y52 s HIS 67 N 1.62 2.86 0.08 5.22 5.65 -0.61 -2.35 115.29 127.76 1y52 s HIS 67 Ca 0.05 -0.48 -0.31 0.00 0.25 0.00 0.00 55.06 54.57 1y52 s HIS 67 Cb -0.16 -3.98 -0.07 0.00 -1.18 0.00 0.00 32.58 27.18 1y52 s HIS 67 CO 0.05 -1.35 1.41 -1.58 -0.65 0.00 0.00 174.74 172.62 1y52 s TRP 68 N 3.41 3.09 -1.58 3.88 0.52 -1.24 -3.78 118.94 123.24 1y52 s TRP 68 Ca 0.20 0.88 0.29 0.00 0.02 0.00 0.00 56.10 57.50 1y52 s TRP 68 Cb -0.18 -3.69 1.34 0.00 -1.15 0.00 0.00 33.47 29.80 1y52 s TRP 68 CO 0.12 -2.48 1.94 0.09 0.02 0.00 0.00 176.95 176.64 1y52 n ASN 69 N 4.43 0.29 0.00 2.95 3.02 -1.26 -3.88 115.26 120.81 1y52 n ASN 69 Ca 0.12 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 1y52 n ASN 69 Cb 0.43 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1y52 n ASN 69 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1y52 n PHE 70 N -1.07 0.00 -3.97 3.10 -1.74 -1.26 -5.02 117.46 107.49 1y52 n PHE 70 Ca 0.15 -0.32 -0.09 0.00 -0.56 0.00 0.00 57.45 56.63 1y52 n PHE 70 Cb 0.26 -0.03 -0.04 0.00 1.52 0.00 0.00 39.48 41.19 1y52 n PHE 70 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1y52 s SER 71 N -0.63 -0.06 0.00 5.98 1.04 -1.25 -4.97 113.70 113.81 1y52 s SER 71 Ca 0.00 -0.91 0.20 0.00 0.48 0.00 0.00 55.95 55.72 1y52 s SER 71 Cb 0.00 0.63 0.89 0.00 0.10 0.00 0.00 66.02 67.64 1y52 s SER 71 CO 0.00 -1.22 1.61 -0.62 0.98 0.00 0.00 173.24 174.00 1y52 n GLU 72 N -0.41 1.46 -1.83 4.02 -0.58 -1.26 -4.69 120.64 117.34 1y52 n GLU 72 Ca -0.02 -0.69 -0.31 0.00 -0.42 0.00 0.00 57.16 55.72 1y52 n GLU 72 Cb 0.61 -1.36 0.02 0.00 -0.57 0.00 0.00 31.44 30.14 1y52 n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1y52 s SER 73 N -1.58 6.08 0.01 1.62 0.01 -1.26 -4.29 113.70 114.29 1y52 s SER 73 Ca 0.31 1.46 0.03 0.00 1.31 0.00 0.00 55.95 59.05 1y52 s SER 73 Cb 0.16 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 1y52 s SER 73 CO 0.25 -0.97 -0.08 -0.89 0.41 0.00 0.00 173.24 171.95 1y52 s THR 74 N -3.14 0.63 -0.01 1.44 2.01 -0.54 -3.59 115.64 112.44 1y52 s THR 74 Ca 0.56 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 62.03 1y52 s THR 74 Cb -0.12 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1y52 s THR 74 CO 0.54 -0.00 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.33 1y52 s THR 75 N -0.58 2.20 -0.00 -0.82 2.01 -0.99 -0.29 115.64 117.17 1y52 s THR 75 Ca -0.01 -1.11 0.06 0.00 0.31 0.00 0.00 61.69 60.95 1y52 s THR 75 Cb -0.05 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1y52 s THR 75 CO 0.00 0.55 -0.18 0.68 -0.69 0.00 0.00 174.62 174.98 1y52 s VAL 76 N -0.66 2.77 -0.01 3.82 -7.23 -0.08 -0.49 120.40 118.52 1y52 s VAL 76 Ca 0.11 -1.00 0.08 0.00 -1.81 0.00 0.00 61.98 59.36 1y52 s VAL 76 Cb -0.10 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1y52 s VAL 76 CO -0.00 0.48 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.65 1y52 s PHE 77 N -0.80 2.27 0.02 2.82 0.40 -0.10 -1.30 117.98 121.29 1y52 s PHE 77 Ca 0.13 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1y52 s PHE 77 Cb -0.10 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.96 1y52 s PHE 77 CO 0.02 -0.01 -0.04 -0.08 0.70 0.00 0.00 175.22 175.82 1y52 s THR 78 N -0.63 0.19 0.00 0.64 -1.32 -0.13 -1.01 115.64 113.38 1y52 s THR 78 Ca 0.10 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1y52 s THR 78 Cb -0.10 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 1y52 s THR 78 CO -0.00 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.55 1y52 n GLY 79 N 1.59 0.68 2.93 6.08 0.00 -0.70 -1.21 105.19 114.55 1y52 n GLY 79 Ca -0.24 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1y52 n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y52 s GLN 80 N 0.31 0.22 -0.23 1.61 0.74 -0.70 -1.49 119.66 120.13 1y52 s GLN 80 Ca 0.00 -0.20 -0.16 0.00 0.05 0.00 0.00 55.36 55.05 1y52 s GLN 80 Cb 0.00 -0.14 -0.04 0.00 1.10 0.00 0.00 33.01 33.94 1y52 s GLN 80 CO 0.00 0.03 0.41 0.00 -0.55 0.00 0.00 175.29 175.19 1y52 s PHE 82 N 1.64 2.69 -0.10 0.00 0.08 -0.30 -3.87 117.98 118.12 1y52 s PHE 82 Ca 0.19 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.08 1y52 s PHE 82 Cb -0.15 -1.47 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 1y52 s PHE 82 CO 0.09 0.35 -0.15 0.42 -0.10 0.00 0.00 175.22 175.83 1y52 s ILE 83 N -1.07 2.95 1.12 0.64 1.01 -1.26 -1.60 121.20 123.00 1y52 s ILE 83 Ca 0.18 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 1y52 s ILE 83 Cb -0.11 -2.20 0.25 0.00 0.01 0.00 0.00 42.46 40.41 1y52 s ILE 83 CO 0.09 0.55 1.11 -1.81 0.00 0.00 0.00 174.94 174.88 1y52 s ASP 84 N -0.03 1.58 0.49 3.58 -0.00 -0.15 -4.91 116.67 117.23 1y52 s ASP 84 Ca -0.04 0.81 0.21 0.00 -0.00 0.00 0.00 52.55 53.54 1y52 s ASP 84 Cb -0.14 -1.21 1.27 0.00 -0.00 0.00 0.00 42.92 42.84 1y52 s ASP 84 CO 0.04 -3.74 2.05 0.08 -0.00 0.00 0.00 175.17 173.60 1y52 h ARG 85 N -2.31 0.00 -0.01 8.23 0.11 -2.01 -2.78 114.38 115.61 1y52 h ARG 85 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1y52 h ARG 85 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1y52 h ARG 85 CO 0.43 0.14 0.00 0.09 0.10 0.00 0.00 179.97 180.73 1y52 n ASN 86 N -4.00 1.19 0.00 0.08 5.03 -1.26 -4.94 115.26 111.36 1y52 n ASN 86 Ca -0.02 -1.40 0.00 0.00 0.87 0.00 0.00 54.58 54.03 1y52 n ASN 86 Cb 0.23 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 1y52 n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1y52 n GLY 87 N 1.14 0.64 3.72 7.41 0.00 -1.05 -5.04 105.19 112.00 1y52 n GLY 87 Ca 0.20 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1y52 n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y52 s LYS 88 N -0.30 4.52 -0.01 1.61 2.20 -1.26 -4.75 119.74 121.75 1y52 s LYS 88 Ca 0.00 1.22 -0.10 0.00 -0.36 0.00 0.00 55.97 56.73 1y52 s LYS 88 Cb 0.00 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1y52 s LYS 88 CO 0.00 0.02 0.31 -1.21 -0.36 0.00 0.00 175.35 174.11 1y52 s GLU 89 N 0.83 3.69 -0.02 4.03 2.02 -1.26 -0.97 118.70 127.01 1y52 s GLU 89 Ca 0.46 0.12 0.02 0.00 0.02 0.00 0.00 54.97 55.58 1y52 s GLU 89 Cb -0.20 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 30.90 1y52 s GLU 89 CO 0.24 0.68 -0.05 0.08 0.02 0.00 0.00 175.26 176.23 1y52 s VAL 90 N -1.19 0.48 -0.26 2.63 1.01 -0.63 -4.45 120.40 118.00 1y52 s VAL 90 Ca 0.25 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1y52 s VAL 90 Cb -0.14 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 1y52 s VAL 90 CO 0.13 0.17 0.21 -0.76 0.00 0.00 0.00 175.10 174.85 1y52 s LEU 91 N 0.30 4.07 -0.26 3.92 1.43 -0.31 -1.15 118.68 126.67 1y52 s LEU 91 Ca -0.03 0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1y52 s LEU 91 Cb -0.07 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 1y52 s LEU 91 CO -0.00 -0.02 0.11 -0.54 0.23 0.00 0.00 176.35 176.13 1y52 s LYS 92 N 1.49 3.72 0.12 1.70 -0.14 -0.62 -1.03 119.74 124.98 1y52 s LYS 92 Ca 0.09 -0.45 0.04 0.00 -1.36 0.00 0.00 55.97 54.29 1y52 s LYS 92 Cb -0.15 -3.45 -0.04 0.00 -1.68 0.00 0.00 37.83 32.51 1y52 s LYS 92 CO 0.08 -0.20 -0.09 0.95 -0.76 0.00 0.00 175.35 175.32 1y52 s THR 93 N 1.66 0.98 0.17 2.17 -4.23 -0.48 -1.71 115.64 114.20 1y52 s THR 93 Ca 0.06 -1.88 0.08 0.00 -1.18 0.00 0.00 61.69 58.78 1y52 s THR 93 Cb -0.16 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 1y52 s THR 93 CO 0.06 -0.71 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.23 1y52 s MET 94 N -3.41 1.27 0.06 3.99 -1.94 -0.35 -1.38 119.30 117.54 1y52 s MET 94 Ca 0.11 -1.45 0.01 0.00 -1.71 0.00 0.00 55.69 52.65 1y52 s MET 94 Cb 0.01 -1.22 -0.03 0.00 2.01 0.00 0.00 34.83 35.60 1y52 s MET 94 CO -0.01 0.23 -0.06 1.67 -0.01 0.00 0.00 175.02 176.85 1y52 s TRP 95 N -2.36 0.67 -0.11 -0.03 1.48 -0.39 -0.96 118.94 117.24 1y52 s TRP 95 Ca 0.17 -0.78 0.03 0.00 -1.06 0.00 0.00 56.10 54.46 1y52 s TRP 95 Cb -0.04 -0.41 0.01 0.00 -1.16 0.00 0.00 33.47 31.86 1y52 s TRP 95 CO 0.06 -0.19 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.06 1y52 s LEU 96 N -2.40 1.95 -0.29 -4.66 1.43 -0.42 -2.09 118.68 112.20 1y52 s LEU 96 Ca 0.01 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1y52 s LEU 96 Cb -0.00 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.98 1y52 s LEU 96 CO -0.04 0.09 0.03 -0.22 0.23 0.00 0.00 176.35 176.45 1y52 s LEU 97 N 0.63 3.75 -0.27 1.79 2.96 0.22 -0.91 118.68 126.85 1y52 s LEU 97 Ca -0.13 -0.90 -0.14 0.00 -0.22 0.00 0.00 54.13 52.74 1y52 s LEU 97 Cb -0.16 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1y52 s LEU 97 CO 0.04 -0.21 0.33 -0.60 -1.32 0.00 0.00 176.35 174.59 1y52 s ARG 98 N 1.40 3.99 0.32 1.98 6.06 0.61 -1.04 118.95 132.26 1y52 s ARG 98 Ca 0.00 -0.06 -0.13 0.00 -2.50 0.00 0.00 55.73 53.04 1y52 s ARG 98 Cb -0.18 -3.66 -0.08 0.00 0.06 0.00 0.00 34.95 31.09 1y52 s ARG 98 CO 0.00 -0.26 0.70 -1.12 -2.50 0.00 0.00 175.30 172.12 1y52 s SER 99 N 1.67 6.68 -0.09 -2.12 0.01 0.13 -1.46 113.70 118.52 1y52 s SER 99 Ca 0.13 1.16 -0.30 0.00 1.31 0.00 0.00 55.95 58.25 1y52 s SER 99 Cb -0.16 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 1y52 s SER 99 CO 0.10 -0.21 1.04 -0.55 0.41 0.00 0.00 173.24 174.03 1y52 s SER 100 N -2.48 7.22 0.32 2.44 0.15 -1.26 -4.86 113.70 115.22 1y52 s SER 100 Ca 0.52 1.58 0.10 0.00 0.70 0.00 0.00 55.95 58.85 1y52 s SER 100 Cb -0.10 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.59 1y52 s SER 100 CO 0.21 -0.46 -0.10 0.68 1.20 0.00 0.00 173.24 174.77 1y52 s VAL 101 N 2.00 2.50 0.21 4.45 -7.23 -1.26 -5.04 120.40 116.03 1y52 s VAL 101 Ca 0.50 -2.20 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1y52 s VAL 101 Cb -0.19 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1y52 s VAL 101 CO 0.19 -0.28 1.55 0.78 -0.31 0.00 0.00 175.10 177.03 1y52 h ASN 102 N 2.04 0.62 -5.03 4.85 2.35 -1.97 -3.47 115.58 114.98 1y52 h ASN 102 Ca -0.42 -0.30 0.02 0.00 -0.55 0.00 0.00 56.30 55.05 1y52 h ASN 102 Cb 1.25 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.41 1y52 h ASN 102 CO 0.65 0.99 0.21 1.51 -1.65 0.00 0.00 177.43 179.15 1y52 s ASP 103 N -6.88 -0.12 0.58 5.81 1.47 -1.26 -5.05 116.67 111.21 1y52 s ASP 103 Ca -0.08 -0.85 0.30 0.00 1.18 0.00 0.00 52.55 53.10 1y52 s ASP 103 Cb 0.12 0.76 1.75 0.00 -0.34 0.00 0.00 42.92 45.21 1y52 s ASP 103 CO 0.83 -1.46 2.21 -0.29 0.68 0.00 0.00 175.17 177.15 1y52 h ILE 104 N 2.02 0.52 0.00 2.11 2.10 -2.02 -1.72 117.51 120.52 1y52 h ILE 104 Ca -0.24 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.56 1y52 h ILE 104 Cb 1.25 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1y52 h ILE 104 CO 0.31 0.03 0.00 0.77 -1.08 0.00 0.00 178.15 178.18 1y52 h SER 105 N 0.00 0.00 -0.30 2.19 4.64 -2.00 -1.84 113.55 116.25 1y52 h SER 105 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y52 h SER 105 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1y52 h SER 105 CO 0.00 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.74 1y52 n TYR 106 N -2.68 0.38 -0.13 4.77 4.01 -0.65 -4.62 117.16 118.24 1y52 n TYR 106 Ca -0.00 -0.22 0.06 0.00 -0.16 0.00 0.00 57.90 57.58 1y52 n TYR 106 Cb 0.16 -0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.57 1y52 n TYR 106 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1y52 h ASP 107 N 3.95 0.60 -0.87 7.72 3.58 -1.44 -2.36 116.42 127.60 1y52 h ASP 107 Ca 0.00 -0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.67 1y52 h ASP 107 Cb 0.90 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.77 1y52 h ASP 107 CO 0.00 0.40 0.60 4.11 -2.88 0.00 0.00 179.24 181.47 1y52 h TRP 108 N 0.69 0.27 -0.60 0.28 5.08 -1.82 -2.31 115.95 117.53 1y52 h TRP 108 Ca 0.27 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.25 1y52 h TRP 108 Cb 0.20 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 26.28 1y52 h TRP 108 CO -0.00 0.07 0.00 0.36 -1.28 0.00 0.00 178.44 177.59 1y52 n LYS 109 N -4.40 2.53 0.00 0.12 2.85 -0.89 -4.60 118.16 113.77 1y52 n LYS 109 Ca 0.18 -2.36 0.13 0.00 -1.05 0.00 0.00 58.31 55.22 1y52 n LYS 109 Cb 0.81 -1.52 0.38 0.00 -0.65 0.00 0.00 35.03 34.05 1y52 n LYS 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1y52 n ALA 110 N 1.44 2.71 -3.95 0.58 0.00 -0.87 -4.84 120.51 115.58 1y52 n ALA 110 Ca 0.22 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 1y52 n ALA 110 Cb 0.57 -1.06 -0.16 0.00 0.00 0.00 0.00 19.45 18.79 1y52 n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1y52 s THR 111 N -2.12 1.41 0.14 0.00 2.01 -1.26 -0.69 115.64 115.12 1y52 s THR 111 Ca 0.32 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1y52 s THR 111 Cb 0.20 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1y52 s THR 111 CO 0.38 0.17 0.32 -0.13 -0.69 0.00 0.00 174.62 174.66 1y52 s ARG 112 N 1.50 3.51 0.09 4.92 0.52 -0.21 -4.94 118.95 124.34 1y52 s ARG 112 Ca -0.00 -0.34 0.07 0.00 -0.52 0.00 0.00 55.73 54.94 1y52 s ARG 112 Cb -0.16 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 1y52 s ARG 112 CO -0.08 0.50 -0.18 0.54 0.02 0.00 0.00 175.30 176.10 1y52 s VAL 113 N -1.69 1.45 0.00 3.52 0.11 -1.26 -0.61 120.40 121.92 1y52 s VAL 113 Ca 0.38 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.00 1y52 s VAL 113 Cb -0.12 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 1y52 s VAL 113 CO 0.27 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 1y52 n GLY 114 N 1.21 1.10 3.24 6.54 0.00 -0.89 -5.01 105.19 111.38 1y52 n GLY 114 Ca -0.20 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1y52 n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y52 s TYR 115 N -4.79 1.21 -0.15 1.61 -0.85 -1.26 -1.26 117.35 111.86 1y52 s TYR 115 Ca 0.00 -0.86 -0.17 0.00 -0.52 0.00 0.00 57.07 55.53 1y52 s TYR 115 Cb 0.00 -0.66 0.04 0.00 0.38 0.00 0.00 41.96 41.73 1y52 s TYR 115 CO 0.00 -0.03 0.46 -0.80 -1.52 0.00 0.00 175.55 173.66 1y52 s ASN 116 N -3.16 -0.47 -0.11 -0.18 0.02 -0.48 -4.92 114.94 105.64 1y52 s ASN 116 Ca 0.18 0.84 -0.03 0.00 -1.02 0.00 0.00 52.86 52.84 1y52 s ASN 116 Cb 0.04 0.87 -0.03 0.00 0.02 0.00 0.00 41.25 42.15 1y52 s ASN 116 CO 0.01 -0.21 -0.01 0.54 0.02 0.00 0.00 177.10 177.45 1y52 s ASN 117 N 0.01 5.11 0.02 -1.22 4.22 -1.26 -1.39 114.94 120.44 1y52 s ASN 117 Ca -0.02 0.05 0.07 0.00 -2.14 0.00 0.00 52.86 50.82 1y52 s ASN 117 Cb -0.03 -1.59 -0.03 0.00 1.28 0.00 0.00 41.25 40.88 1y52 s ASN 117 CO 0.01 0.30 -0.20 -0.36 -2.04 0.00 0.00 177.10 174.81 1y52 s PHE 118 N -0.40 2.49 0.22 1.54 0.08 -0.19 -2.33 117.98 119.39 1y52 s PHE 118 Ca 0.07 -0.30 0.06 0.00 0.12 0.00 0.00 56.93 56.88 1y52 s PHE 118 Cb -0.12 -1.47 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 1y52 s PHE 118 CO 0.02 0.18 -0.07 0.95 -0.10 0.00 0.00 175.22 176.20 1y52 s THR 119 N -0.83 1.43 0.39 0.64 -4.23 -0.45 -1.16 115.64 111.44 1y52 s THR 119 Ca 0.13 -2.11 -0.25 0.00 -1.18 0.00 0.00 61.69 58.27 1y52 s THR 119 Cb -0.10 -2.21 -0.09 0.00 1.34 0.00 0.00 72.50 71.44 1y52 s THR 119 CO 0.03 -0.46 1.14 -0.13 -0.54 0.00 0.00 174.62 174.66 1y52 s ARG 120 N -3.74 4.11 -0.06 3.99 0.52 -1.26 -1.06 118.95 121.44 1y52 s ARG 120 Ca 0.25 1.76 -0.24 0.00 -0.52 0.00 0.00 55.73 56.98 1y52 s ARG 120 Cb 0.03 -2.67 -0.26 0.00 0.52 0.00 0.00 34.95 32.57 1y52 s ARG 120 CO 0.08 -0.25 0.96 1.25 0.02 0.00 0.00 175.30 177.36 1y52 h LEU 121 N 2.67 0.27 -0.68 2.53 5.85 -1.43 -3.44 115.31 121.08 1y52 h LEU 121 Ca -0.48 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.38 1y52 h LEU 121 Cb 1.23 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1y52 h LEU 121 CO 0.63 1.09 0.00 -0.24 -0.34 0.00 0.00 178.44 179.58