#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2of8 s SER 5 N 1.63 5.14 -0.17 0.00 0.15 -1.26 -4.64 113.70 114.55 2of8 s SER 5 Ca 0.41 -0.11 0.14 0.00 0.70 0.00 0.00 55.95 57.09 2of8 s SER 5 Cb -0.13 -1.28 -0.24 0.00 -1.71 0.00 0.00 66.02 62.66 2of8 s SER 5 CO 0.14 0.20 0.18 0.18 1.20 0.00 0.00 173.24 175.15 2of8 n LEU 6 N 0.76 0.70 -4.67 3.45 4.77 -1.26 -4.97 117.00 115.78 2of8 n LEU 6 Ca -0.11 0.09 -0.45 0.00 -0.03 0.00 0.00 56.01 55.51 2of8 n LEU 6 Cb 0.52 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 2of8 n LEU 6 CO 0.39 0.55 1.03 0.41 -1.33 0.00 0.00 177.39 178.44 2of8 n THR 7 N -2.92 0.87 0.00 -5.08 -1.04 -1.26 -4.62 114.28 100.24 2of8 n THR 7 Ca -0.31 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 2of8 n THR 7 Cb 1.11 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 2of8 n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2of8 n GLY 8 N 2.26 0.46 3.73 3.41 0.00 -0.17 -4.94 105.19 109.94 2of8 n GLY 8 Ca 0.12 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 2of8 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2of8 s LYS 9 N -0.62 3.07 0.05 1.61 1.02 -1.26 -0.81 119.74 122.79 2of8 s LYS 9 Ca 0.00 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 55.65 2of8 s LYS 9 Cb 0.00 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2of8 s LYS 9 CO 0.00 0.71 -0.08 -1.58 -0.92 0.00 0.00 175.35 173.48 2of8 s TRP 10 N -0.93 0.71 0.15 3.18 0.52 0.13 -1.37 118.94 121.34 2of8 s TRP 10 Ca 0.14 -0.51 0.09 0.00 0.02 0.00 0.00 56.10 55.84 2of8 s TRP 10 Cb -0.11 -0.42 -0.04 0.00 -1.15 0.00 0.00 33.47 31.74 2of8 s TRP 10 CO 0.03 -0.08 -0.21 0.95 0.02 0.00 0.00 176.95 177.67 2of8 s THR 11 N -1.45 1.93 0.53 2.01 -4.23 -0.27 -1.22 115.64 112.94 2of8 s THR 11 Ca -0.09 -1.84 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 2of8 s THR 11 Cb -0.10 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.93 2of8 s THR 11 CO 0.00 -0.19 0.27 0.54 -0.54 0.00 0.00 174.62 174.71 2of8 s ASN 12 N -2.44 4.47 0.56 3.99 2.20 -0.58 -1.28 114.94 121.86 2of8 s ASN 12 Ca 0.14 -1.35 0.37 0.00 -0.94 0.00 0.00 52.86 51.08 2of8 s ASN 12 Cb -0.07 0.39 1.87 0.00 -2.00 0.00 0.00 41.25 41.43 2of8 s ASN 12 CO 0.07 -0.99 2.13 -0.55 -2.94 0.00 0.00 177.10 174.81 2of8 h ASN 13 N 0.97 0.00 0.28 3.54 -1.07 -1.80 -0.66 115.58 116.84 2of8 h ASN 13 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.98 2of8 h ASN 13 Cb 1.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.55 2of8 h ASN 13 CO 0.63 0.00 -0.28 0.18 0.07 0.00 0.00 177.43 178.03 2of8 n LEU 14 N -2.93 0.93 0.00 6.14 4.77 -1.26 -4.95 117.00 119.70 2of8 n LEU 14 Ca -0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2of8 n LEU 14 Cb 0.15 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2of8 n LEU 14 CO 0.21 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2of8 n GLY 15 N 1.36 0.66 3.75 -0.72 0.00 -0.25 -4.74 105.19 105.24 2of8 n GLY 15 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2of8 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2of8 s SER 16 N -3.00 4.70 -0.05 1.61 0.01 -1.26 -4.64 113.70 111.07 2of8 s SER 16 Ca 0.00 2.14 0.05 0.00 1.31 0.00 0.00 55.95 59.45 2of8 s SER 16 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2of8 s SER 16 CO 0.00 -1.91 -0.21 -0.63 0.41 0.00 0.00 173.24 170.90 2of8 s ILE 17 N -2.22 1.74 0.06 1.44 1.01 -0.50 -1.53 121.20 121.20 2of8 s ILE 17 Ca 0.70 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 60.49 2of8 s ILE 17 Cb -0.24 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2of8 s ILE 17 CO 0.43 0.49 -0.11 0.00 0.00 0.00 0.00 174.94 175.76 2of8 s MET 18 N -0.08 0.71 -0.14 2.79 0.23 -0.36 -0.32 119.30 122.13 2of8 s MET 18 Ca -0.03 -0.92 0.01 0.00 -1.03 0.00 0.00 55.69 53.72 2of8 s MET 18 Cb -0.12 -0.54 0.02 0.00 -1.53 0.00 0.00 34.83 32.65 2of8 s MET 18 CO 0.03 0.11 -0.16 0.99 -2.03 0.00 0.00 175.02 173.96 2of8 s THR 19 N -1.58 1.65 -0.13 3.16 2.01 -0.25 -0.69 115.64 119.82 2of8 s THR 19 Ca -0.04 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 2of8 s THR 19 Cb -0.08 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 2of8 s THR 19 CO 0.01 0.47 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.73 2of8 s ILE 20 N 1.26 3.84 0.00 1.82 1.01 0.01 -0.99 121.20 128.15 2of8 s ILE 20 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2of8 s ILE 20 Cb -0.14 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.69 2of8 s ILE 20 CO -0.07 0.53 0.00 0.54 0.00 0.00 0.00 174.94 175.94 2of8 n ARG 21 N 3.09 1.42 -1.87 2.79 1.74 -0.12 -1.00 116.66 122.71 2of8 n ARG 21 Ca -0.18 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 2of8 n ARG 21 Cb 0.53 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.96 2of8 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2of8 s ALA 22 N -3.14 3.59 -0.19 7.54 0.00 -1.26 -4.47 121.76 123.84 2of8 s ALA 22 Ca 0.00 1.51 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 2of8 s ALA 22 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2of8 s ALA 22 CO 0.00 -0.96 0.45 0.08 0.00 0.00 0.00 175.76 175.34 2of8 s VAL 23 N -0.90 5.17 0.77 0.00 1.01 -1.26 -4.50 120.40 120.68 2of8 s VAL 23 Ca 0.54 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.25 2of8 s VAL 23 Cb -0.45 -3.78 0.17 0.00 0.00 0.00 0.00 36.38 32.32 2of8 s VAL 23 CO 0.58 0.24 1.05 -0.46 0.00 0.00 0.00 175.10 176.51 2of8 n ASN 24 N 4.44 0.35 0.21 3.32 0.23 -0.41 -4.87 115.26 118.53 2of8 n ASN 24 Ca -0.07 -1.54 0.15 0.00 -0.53 0.00 0.00 54.58 52.59 2of8 n ASN 24 Cb 0.51 -0.78 0.59 0.00 -2.08 0.00 0.00 39.78 38.02 2of8 n ASN 24 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2of8 h SER 25 N -1.23 0.00 0.84 0.53 4.64 -1.98 -0.97 113.55 115.38 2of8 h SER 25 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2of8 h SER 25 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2of8 h SER 25 CO 0.27 0.00 -0.15 0.54 -0.87 0.00 0.00 176.83 176.62 2of8 n ARG 26 N -2.72 0.02 -0.36 4.77 5.12 -1.26 -4.94 116.66 117.29 2of8 n ARG 26 Ca 0.01 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2of8 n ARG 26 Cb 0.28 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 2of8 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2of8 n GLY 27 N 1.49 0.71 3.78 -0.13 0.00 -0.37 -4.78 105.19 105.90 2of8 n GLY 27 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2of8 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2of8 s GLU 28 N -0.64 4.34 0.03 1.61 2.02 -1.26 -0.55 118.70 124.24 2of8 s GLU 28 Ca 0.00 1.46 -0.11 0.00 0.02 0.00 0.00 54.97 56.34 2of8 s GLU 28 Cb 0.00 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.58 2of8 s GLU 28 CO 0.00 0.02 0.24 -0.59 0.02 0.00 0.00 175.26 174.95 2of8 s PHE 29 N -1.63 -0.03 0.44 1.61 -0.12 -0.28 -1.29 117.98 116.68 2of8 s PHE 29 Ca 0.54 -0.10 0.05 0.00 -0.05 0.00 0.00 56.93 57.37 2of8 s PHE 29 Cb -0.21 0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.15 2of8 s PHE 29 CO 0.27 -0.43 0.01 -0.08 -0.05 0.00 0.00 175.22 174.94 2of8 s THR 30 N -2.23 1.60 -0.81 -4.49 -1.32 -1.26 -1.03 115.64 106.09 2of8 s THR 30 Ca -0.07 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.41 2of8 s THR 30 Cb -0.02 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 2of8 s THR 30 CO -0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 2of8 n GLY 31 N -1.05 -1.24 3.22 6.08 0.00 -0.92 -0.94 105.19 110.34 2of8 n GLY 31 Ca -0.10 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 2of8 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2of8 s THR 32 N -3.00 1.09 -0.05 2.61 -4.23 -0.17 -1.54 115.64 110.36 2of8 s THR 32 Ca 0.00 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 2of8 s THR 32 Cb 0.00 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.21 2of8 s THR 32 CO 0.00 -0.67 0.02 -0.47 -0.54 0.00 0.00 174.62 172.96 2of8 s TYR 33 N -2.96 0.35 -0.42 3.99 6.14 0.68 -1.09 117.35 124.04 2of8 s TYR 33 Ca 0.12 0.02 -0.03 0.00 0.64 0.00 0.00 57.07 57.82 2of8 s TYR 33 Cb 0.00 -0.55 0.11 0.00 0.42 0.00 0.00 41.96 41.95 2of8 s TYR 33 CO 0.00 -0.21 0.23 -1.17 0.64 0.00 0.00 175.55 175.05 2of8 s LEU 34 N 1.63 5.30 0.29 6.97 2.96 0.56 -1.65 118.68 134.74 2of8 s LEU 34 Ca -0.01 -2.06 -0.29 0.00 -0.22 0.00 0.00 54.13 51.55 2of8 s LEU 34 Cb -0.13 -1.85 -0.09 0.00 0.50 0.00 0.00 46.19 44.62 2of8 s LEU 34 CO -0.03 -0.55 1.10 0.28 -1.32 0.00 0.00 176.35 175.83 2of8 s THR 35 N 1.10 3.48 -0.23 3.68 -1.32 -1.26 -1.41 115.64 119.69 2of8 s THR 35 Ca 0.08 1.46 0.21 0.00 -1.21 0.00 0.00 61.69 62.24 2of8 s THR 35 Cb -0.23 -3.91 0.24 0.00 -1.51 0.00 0.00 72.50 67.08 2of8 s THR 35 CO -0.04 0.32 1.61 0.00 -2.21 0.00 0.00 174.62 174.30 2of8 h ALA 36 N 3.67 0.89 -3.04 11.08 0.00 -1.85 -3.47 119.26 126.55 2of8 h ALA 36 Ca -0.47 -0.18 -0.34 0.00 0.00 0.00 0.00 54.91 53.92 2of8 h ALA 36 Cb 1.21 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 2of8 h ALA 36 CO 0.66 0.25 -0.75 0.14 0.00 0.00 0.00 179.25 179.55 2of8 s VAL 37 N -3.22 0.92 0.22 0.00 -7.23 -1.26 -5.02 120.40 104.82 2of8 s VAL 37 Ca 0.05 -1.42 -0.23 0.00 -1.81 0.00 0.00 61.98 58.57 2of8 s VAL 37 Cb 0.07 -1.12 0.04 0.00 0.56 0.00 0.00 36.38 35.93 2of8 s VAL 37 CO 0.68 -0.41 0.83 0.00 -0.31 0.00 0.00 175.10 175.89 2of8 s ALA 38 N -1.85 -1.42 0.26 1.32 0.00 -1.26 -4.99 121.76 113.82 2of8 s ALA 38 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.82 2of8 s ALA 38 Cb -0.07 0.75 0.40 0.00 0.00 0.00 0.00 23.12 24.20 2of8 s ALA 38 CO 0.01 -1.04 1.87 0.00 0.00 0.00 0.00 175.76 176.60 2of8 h ALA 39 N 2.00 1.35 -2.90 0.00 0.00 -2.02 -3.31 119.26 114.38 2of8 h ALA 39 Ca -0.21 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.07 2of8 h ALA 39 Cb 1.24 -0.29 -0.40 0.00 0.00 0.00 0.00 17.79 18.34 2of8 h ALA 39 CO 0.24 0.40 -0.73 -0.80 0.00 0.00 0.00 179.25 178.36 2of8 s ASN 40 N -5.86 3.58 0.54 0.00 0.01 -1.26 -4.99 114.94 106.95 2of8 s ASN 40 Ca -0.12 -3.21 0.27 0.00 -0.71 0.00 0.00 52.86 49.08 2of8 s ASN 40 Cb 0.20 -1.15 1.54 0.00 0.41 0.00 0.00 41.25 42.25 2of8 s ASN 40 CO 0.81 -0.17 2.14 1.55 -1.51 0.00 0.00 177.10 179.91 2of8 h PRO 41 N 5.96 0.00 -0.01 -0.60 0.13 -1.95 -1.44 132.00 134.10 2of8 h PRO 41 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2of8 h PRO 41 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 2of8 h PRO 41 CO 0.55 0.08 0.02 0.78 -0.23 0.00 0.00 178.00 179.20 2of8 h GLY 42 N 0.47 0.00 -0.13 1.56 0.00 -1.94 -2.44 103.07 100.60 2of8 h GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2of8 h GLY 42 CO 0.01 0.00 -0.26 0.70 0.00 0.00 0.00 176.54 176.99 2of8 n ASN 43 N -3.49 1.32 -4.73 0.19 3.02 -0.54 -4.99 115.26 106.04 2of8 n ASN 43 Ca -0.03 -1.10 -0.42 0.00 -0.03 0.00 0.00 54.58 53.00 2of8 n ASN 43 Cb 0.09 0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 2of8 n ASN 43 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2of8 s ILE 44 N -2.42 2.34 0.10 2.41 1.01 -0.92 -4.77 121.20 118.94 2of8 s ILE 44 Ca 0.25 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.20 2of8 s ILE 44 Cb 0.19 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2of8 s ILE 44 CO 0.50 0.03 -0.10 0.42 0.00 0.00 0.00 174.94 175.79 2of8 s THR 45 N 0.73 0.97 0.20 2.92 -4.23 -1.26 -5.09 115.64 109.88 2of8 s THR 45 Ca 0.68 -1.65 -0.32 0.00 -1.18 0.00 0.00 61.69 59.22 2of8 s THR 45 Cb -0.46 -1.37 -0.14 0.00 1.34 0.00 0.00 72.50 71.87 2of8 s THR 45 CO 0.37 -0.55 1.42 -0.11 -0.54 0.00 0.00 174.62 175.21 2of8 n LEU 46 N 0.55 2.86 -4.16 4.79 7.94 -1.26 -4.67 117.00 123.05 2of8 n LEU 46 Ca -0.16 1.13 -0.20 0.00 -1.11 0.00 0.00 56.01 55.66 2of8 n LEU 46 Cb 0.58 -1.39 -0.13 0.00 0.53 0.00 0.00 43.42 43.00 2of8 n LEU 46 CO 0.27 -0.55 -0.47 -0.44 -1.11 0.00 0.00 177.39 175.08 2of8 s SER 47 N 0.43 1.74 0.46 1.96 0.01 -0.66 -4.71 113.70 112.93 2of8 s SER 47 Ca 0.72 -0.48 -0.20 0.00 1.31 0.00 0.00 55.95 57.30 2of8 s SER 47 Cb -0.70 -0.11 -0.10 0.00 0.21 0.00 0.00 66.02 65.33 2of8 s SER 47 CO 0.47 0.03 0.97 -2.16 0.41 0.00 0.00 173.24 172.96 2of8 s PRO 48 N -1.22 4.08 0.11 12.44 0.04 -1.25 -0.23 135.00 148.97 2of8 s PRO 48 Ca 0.02 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.25 2of8 s PRO 48 Cb -0.08 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2of8 s PRO 48 CO 0.01 -0.16 -0.13 -0.48 0.04 0.00 0.00 177.00 176.28 2of8 s LEU 49 N -3.41 2.40 -0.08 -3.56 0.05 -0.59 -1.85 118.68 111.63 2of8 s LEU 49 Ca 0.63 -0.80 -0.04 0.00 0.05 0.00 0.00 54.13 53.96 2of8 s LEU 49 Cb -0.11 -0.48 0.04 0.00 -2.05 0.00 0.00 46.19 43.60 2of8 s LEU 49 CO 0.18 -0.18 0.20 -0.22 -0.55 0.00 0.00 176.35 175.78 2of8 s LEU 50 N -2.42 0.67 0.00 1.48 2.96 -0.63 -2.16 118.68 118.58 2of8 s LEU 50 Ca 0.07 0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 54.33 2of8 s LEU 50 Cb -0.05 0.56 0.03 0.00 0.50 0.00 0.00 46.19 47.23 2of8 s LEU 50 CO 0.02 -0.14 0.46 0.61 -1.32 0.00 0.00 176.35 175.98 2of8 n GLY 51 N 4.04 1.78 2.83 7.98 0.00 -0.20 -1.09 105.19 120.53 2of8 n GLY 51 Ca -0.24 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 2of8 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2of8 s ILE 52 N -2.52 -0.01 0.32 -0.61 1.01 -0.39 -1.13 121.20 117.88 2of8 s ILE 52 Ca 0.15 0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.99 2of8 s ILE 52 Cb -0.02 -0.06 -0.05 0.00 0.01 0.00 0.00 42.46 42.34 2of8 s ILE 52 CO 0.11 0.05 0.02 0.00 0.00 0.00 0.00 174.94 175.12 2of8 s GLN 53 N 0.52 2.15 0.39 2.79 -2.07 0.28 -1.48 119.66 122.23 2of8 s GLN 53 Ca -0.04 -1.65 -0.24 0.00 -1.82 0.00 0.00 55.36 51.61 2of8 s GLN 53 Cb -0.06 -2.01 -0.10 0.00 -1.09 0.00 0.00 33.01 29.75 2of8 s GLN 53 CO -0.01 0.18 1.00 -1.01 -1.32 0.00 0.00 175.29 174.13 2of8 s HIS 54 N -2.46 3.38 -0.24 9.60 3.76 -0.77 -4.26 115.29 124.31 2of8 s HIS 54 Ca 0.34 1.67 -0.01 0.00 -0.15 0.00 0.00 55.06 56.92 2of8 s HIS 54 Cb -0.02 -3.01 -0.18 0.00 1.11 0.00 0.00 32.58 30.49 2of8 s HIS 54 CO 0.20 -0.29 -0.16 1.63 -0.85 0.00 0.00 174.74 175.27 2of8 n LYS 55 N -0.05 0.66 0.08 1.40 4.76 -1.26 -4.52 118.16 119.23 2of8 n LYS 55 Ca 0.05 0.18 -0.10 0.00 -2.87 0.00 0.00 58.31 55.57 2of8 n LYS 55 Cb 0.51 -1.54 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 2of8 n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2of8 h ARG 56 N -0.11 0.28 -6.80 1.97 3.08 -1.97 -3.46 114.38 107.36 2of8 h ARG 56 Ca -0.57 -0.30 -0.52 0.00 0.07 0.00 0.00 59.98 58.66 2of8 h ARG 56 Cb 1.88 0.08 0.06 0.00 0.08 0.00 0.00 29.97 32.07 2of8 h ARG 56 CO -0.11 1.01 0.67 0.00 -1.07 0.00 0.00 179.97 180.48 2of8 s ALA 57 N -3.24 3.54 0.33 0.04 0.00 -1.26 -4.92 121.76 116.25 2of8 s ALA 57 Ca -0.04 1.25 0.09 0.00 0.00 0.00 0.00 51.96 53.26 2of8 s ALA 57 Cb 0.10 -3.50 0.59 0.00 0.00 0.00 0.00 23.12 20.31 2of8 s ALA 57 CO 0.84 -0.65 1.78 0.66 0.00 0.00 0.00 175.76 178.39 2of8 h SER 58 N 4.24 0.17 -2.49 0.00 4.64 -1.93 -3.33 113.55 114.85 2of8 h SER 58 Ca -0.47 -0.06 -0.60 0.00 -0.47 0.00 0.00 61.79 60.19 2of8 h SER 58 Cb 1.22 -0.05 -0.41 0.00 -0.31 0.00 0.00 62.40 62.85 2of8 h SER 58 CO 0.71 0.52 -0.71 0.00 -0.87 0.00 0.00 176.83 176.48 2of8 n GLN 59 N -4.09 1.73 -2.36 4.77 6.02 -1.26 0.09 117.38 122.27 2of8 n GLN 59 Ca -0.01 -4.21 -0.36 0.00 -0.01 0.00 0.00 57.00 52.40 2of8 n GLN 59 Cb 0.42 -2.04 -0.02 0.00 1.02 0.00 0.00 30.24 29.62 2of8 n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2of8 s PRO 60 N -1.63 3.81 0.63 -1.09 0.04 -1.25 -4.59 135.00 130.93 2of8 s PRO 60 Ca 0.33 1.64 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 2of8 s PRO 60 Cb 0.07 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 2of8 s PRO 60 CO -0.10 -0.47 1.01 0.99 0.04 0.00 0.00 177.00 178.47 2of8 s THR 61 N -1.65 4.16 0.22 1.26 2.01 -1.26 -1.45 115.64 118.92 2of8 s THR 61 Ca 0.64 0.56 -0.22 0.00 0.31 0.00 0.00 61.69 62.97 2of8 s THR 61 Cb -0.25 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.62 2of8 s THR 61 CO 0.30 -0.85 0.74 0.72 -0.69 0.00 0.00 174.62 174.85 2of8 s PHE 62 N -3.18 -0.25 0.04 4.92 -0.12 -0.51 -1.84 117.98 117.04 2of8 s PHE 62 Ca 0.55 -0.12 -0.08 0.00 -0.05 0.00 0.00 56.93 57.23 2of8 s PHE 62 Cb -0.11 0.66 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 2of8 s PHE 62 CO 0.51 -1.07 0.17 0.20 -0.05 0.00 0.00 175.22 174.98 2of8 s GLY 63 N -2.87 0.07 0.09 1.99 0.00 -0.55 -1.99 107.32 104.05 2of8 s GLY 63 Ca 0.09 -0.35 -0.15 0.00 0.00 0.00 0.00 44.72 44.31 2of8 s GLY 63 CO 0.02 -0.51 0.36 -0.11 0.00 0.00 0.00 173.10 172.86 2of8 s PHE 64 N -2.58 -0.16 -0.11 1.90 -0.12 -0.16 -1.26 117.98 115.49 2of8 s PHE 64 Ca -0.05 -0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 2of8 s PHE 64 Cb -0.01 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.54 2of8 s PHE 64 CO -0.04 -0.62 -0.10 0.99 -0.05 0.00 0.00 175.22 175.39 2of8 s THR 65 N -3.30 3.33 -0.25 -4.49 2.01 -0.25 -0.96 115.64 111.73 2of8 s THR 65 Ca 0.00 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 2of8 s THR 65 Cb 0.01 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 2of8 s THR 65 CO -0.08 0.54 0.03 -0.69 -0.69 0.00 0.00 174.62 173.73 2of8 s VAL 66 N -0.06 3.89 -0.61 3.82 1.01 0.50 -1.61 120.40 127.34 2of8 s VAL 66 Ca -0.01 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 2of8 s VAL 66 Cb -0.14 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.49 2of8 s VAL 66 CO 0.03 0.32 0.81 -2.28 0.00 0.00 0.00 175.10 173.99 2of8 s HIS 67 N 1.54 2.86 0.16 5.22 5.65 -0.77 -2.34 115.29 127.61 2of8 s HIS 67 Ca 0.05 -0.69 -0.31 0.00 0.25 0.00 0.00 55.06 54.36 2of8 s HIS 67 Cb -0.15 -4.07 -0.10 0.00 -1.18 0.00 0.00 32.58 27.08 2of8 s HIS 67 CO 0.01 -1.41 1.56 -1.58 -0.65 0.00 0.00 174.74 172.67 2of8 s TRP 68 N 3.30 3.05 -2.29 3.88 0.52 -1.25 -3.84 118.94 122.31 2of8 s TRP 68 Ca 0.17 0.64 0.29 0.00 0.02 0.00 0.00 56.10 57.22 2of8 s TRP 68 Cb -0.20 -3.91 1.28 0.00 -1.15 0.00 0.00 33.47 29.49 2of8 s TRP 68 CO 0.09 -3.37 1.87 0.09 0.02 0.00 0.00 176.95 175.66 2of8 n ASN 69 N 4.04 1.03 0.00 2.95 4.13 -1.26 -3.75 115.26 122.39 2of8 n ASN 69 Ca 0.14 -1.30 0.00 0.00 1.68 0.00 0.00 54.58 55.10 2of8 n ASN 69 Cb 0.39 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 2of8 n ASN 69 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2of8 n PHE 70 N -0.23 0.00 -3.89 3.10 -1.74 -1.26 -4.99 117.46 108.45 2of8 n PHE 70 Ca 0.20 -0.24 -0.09 0.00 -0.56 0.00 0.00 57.45 56.77 2of8 n PHE 70 Cb 0.28 -0.02 -0.08 0.00 1.52 0.00 0.00 39.48 41.19 2of8 n PHE 70 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2of8 s SER 71 N -0.47 0.17 0.00 5.98 0.15 -1.25 -4.98 113.70 113.29 2of8 s SER 71 Ca 0.00 -0.69 0.30 0.00 0.70 0.00 0.00 55.95 56.25 2of8 s SER 71 Cb 0.00 0.32 1.38 0.00 -1.71 0.00 0.00 66.02 66.01 2of8 s SER 71 CO 0.00 -0.71 1.93 -0.62 1.20 0.00 0.00 173.24 175.04 2of8 n GLU 72 N -0.03 1.30 -2.07 5.44 -0.58 -1.26 -4.68 120.64 118.76 2of8 n GLU 72 Ca -0.15 -0.52 -0.28 0.00 -0.42 0.00 0.00 57.16 55.79 2of8 n GLU 72 Cb 0.62 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 30.06 2of8 n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2of8 s SER 73 N -2.06 5.22 0.00 1.62 0.01 -1.26 -4.44 113.70 112.79 2of8 s SER 73 Ca 0.40 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2of8 s SER 73 Cb 0.21 -1.62 -0.00 0.00 0.21 0.00 0.00 66.02 64.82 2of8 s SER 73 CO 0.37 -1.41 -0.01 -0.89 0.41 0.00 0.00 173.24 171.71 2of8 s THR 74 N -3.28 0.06 -0.02 1.44 2.01 -0.44 -3.82 115.64 111.59 2of8 s THR 74 Ca 0.58 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.51 2of8 s THR 74 Cb -0.11 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 2of8 s THR 74 CO 0.48 -0.04 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.30 2of8 s THR 75 N -0.17 2.68 -0.02 -0.82 2.01 -0.99 -0.40 115.64 117.94 2of8 s THR 75 Ca -0.01 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.07 2of8 s THR 75 Cb -0.01 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2of8 s THR 75 CO -0.00 0.52 -0.17 0.68 -0.69 0.00 0.00 174.62 174.96 2of8 s VAL 76 N -0.75 2.85 -0.01 3.82 -7.23 -0.22 -0.37 120.40 118.49 2of8 s VAL 76 Ca 0.12 -0.92 0.08 0.00 -1.81 0.00 0.00 61.98 59.45 2of8 s VAL 76 Cb -0.10 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 2of8 s VAL 76 CO 0.01 0.51 -0.26 -0.36 -0.31 0.00 0.00 175.10 174.69 2of8 s PHE 77 N -0.78 2.29 0.04 2.82 0.40 -0.14 -1.22 117.98 121.40 2of8 s PHE 77 Ca 0.12 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2of8 s PHE 77 Cb -0.10 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 2of8 s PHE 77 CO 0.02 -0.01 -0.05 -0.08 0.70 0.00 0.00 175.22 175.79 2of8 s THR 78 N -0.63 0.35 -0.32 0.64 -1.32 -0.35 -0.99 115.64 113.02 2of8 s THR 78 Ca 0.10 -1.22 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 2of8 s THR 78 Cb -0.10 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 2of8 s THR 78 CO -0.01 -0.57 0.00 0.61 -2.21 0.00 0.00 174.62 172.44 2of8 n GLY 79 N 1.14 -0.77 2.93 6.08 0.00 -0.84 -1.16 105.19 112.57 2of8 n GLY 79 Ca -0.21 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 2of8 n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2of8 s GLN 80 N -0.13 0.22 -0.34 1.61 0.74 -0.70 -1.42 119.66 119.63 2of8 s GLN 80 Ca 0.00 -0.26 -0.18 0.00 0.05 0.00 0.00 55.36 54.98 2of8 s GLN 80 Cb 0.00 -0.10 -0.01 0.00 1.10 0.00 0.00 33.01 34.01 2of8 s GLN 80 CO 0.00 0.02 0.50 0.00 -0.55 0.00 0.00 175.29 175.26 2of8 s PHE 82 N 2.36 3.38 -0.15 0.00 0.08 -0.26 -3.85 117.98 119.53 2of8 s PHE 82 Ca 0.18 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.59 2of8 s PHE 82 Cb -0.16 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.42 2of8 s PHE 82 CO 0.13 0.59 -0.15 0.42 -0.10 0.00 0.00 175.22 176.11 2of8 s ILE 83 N -0.93 2.73 0.52 0.64 1.01 -1.26 -1.44 121.20 122.47 2of8 s ILE 83 Ca 0.14 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 2of8 s ILE 83 Cb -0.12 -2.15 0.11 0.00 0.01 0.00 0.00 42.46 40.31 2of8 s ILE 83 CO 0.03 0.52 0.71 -0.90 0.00 0.00 0.00 174.94 175.30 2of8 n ASP 84 N 3.93 0.74 0.31 3.58 5.68 -0.35 -4.90 116.55 125.53 2of8 n ASP 84 Ca -0.19 -1.67 0.20 0.00 -0.50 0.00 0.00 54.79 52.63 2of8 n ASP 84 Cb 0.52 -0.48 1.01 0.00 -1.14 0.00 0.00 41.12 41.03 2of8 n ASP 84 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2of8 h ARG 85 N 0.00 0.00 -0.44 0.11 0.11 -2.00 -1.32 114.38 110.84 2of8 h ARG 85 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 2of8 h ARG 85 Cb 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 2of8 h ARG 85 CO 0.23 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.39 2of8 n ASN 86 N -3.03 3.55 0.00 0.08 5.03 -1.26 -4.96 115.26 114.67 2of8 n ASN 86 Ca -0.02 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.44 2of8 n ASN 86 Cb 0.15 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 2of8 n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2of8 n GLY 87 N 1.54 0.70 3.73 7.41 0.00 -0.50 -5.03 105.19 113.05 2of8 n GLY 87 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2of8 n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2of8 s LYS 88 N -0.16 4.55 -0.08 1.61 2.20 -1.26 -4.75 119.74 121.86 2of8 s LYS 88 Ca 0.00 1.75 -0.03 0.00 -0.36 0.00 0.00 55.97 57.34 2of8 s LYS 88 Cb 0.00 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2of8 s LYS 88 CO 0.00 -0.01 0.04 -1.21 -0.36 0.00 0.00 175.35 173.82 2of8 s GLU 89 N -0.14 3.08 -0.03 4.03 2.02 -1.26 -1.21 118.70 125.19 2of8 s GLU 89 Ca 0.51 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 55.15 2of8 s GLU 89 Cb -0.30 -2.88 0.01 0.00 0.10 0.00 0.00 34.13 31.06 2of8 s GLU 89 CO 0.34 0.71 -0.06 0.08 0.02 0.00 0.00 175.26 176.35 2of8 s VAL 90 N -0.97 0.58 -0.31 2.63 1.01 -0.52 -4.41 120.40 118.41 2of8 s VAL 90 Ca 0.15 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 2of8 s VAL 90 Cb -0.12 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2of8 s VAL 90 CO 0.05 0.20 0.40 -0.76 0.00 0.00 0.00 175.10 174.98 2of8 s LEU 91 N 0.43 4.24 -0.29 3.92 1.43 -0.23 -1.11 118.68 127.07 2of8 s LEU 91 Ca -0.06 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 2of8 s LEU 91 Cb -0.10 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 2of8 s LEU 91 CO 0.00 -0.30 0.33 -0.54 0.23 0.00 0.00 176.35 176.07 2of8 s LYS 92 N 2.11 3.89 0.08 1.70 -0.14 -0.73 -0.93 119.74 125.72 2of8 s LYS 92 Ca 0.14 -0.15 0.04 0.00 -1.36 0.00 0.00 55.97 54.65 2of8 s LYS 92 Cb -0.16 -3.69 -0.03 0.00 -1.68 0.00 0.00 37.83 32.27 2of8 s LYS 92 CO 0.11 -0.32 -0.12 0.95 -0.76 0.00 0.00 175.35 175.22 2of8 s THR 93 N 1.99 0.97 0.16 2.17 -4.23 -0.43 -1.72 115.64 114.56 2of8 s THR 93 Ca 0.12 -1.44 0.10 0.00 -1.18 0.00 0.00 61.69 59.29 2of8 s THR 93 Cb -0.16 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2of8 s THR 93 CO 0.11 -0.40 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.57 2of8 s MET 94 N -2.23 1.78 0.05 3.99 -1.94 -0.31 -1.49 119.30 119.16 2of8 s MET 94 Ca 0.01 -1.33 0.00 0.00 -1.71 0.00 0.00 55.69 52.66 2of8 s MET 94 Cb -0.07 -2.04 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 2of8 s MET 94 CO 0.01 0.44 -0.05 1.67 -0.01 0.00 0.00 175.02 177.08 2of8 s TRP 95 N -1.51 0.56 -0.09 -0.03 1.48 -0.14 -1.21 118.94 117.99 2of8 s TRP 95 Ca 0.21 -0.80 0.03 0.00 -1.06 0.00 0.00 56.10 54.48 2of8 s TRP 95 Cb -0.09 -0.37 0.01 0.00 -1.16 0.00 0.00 33.47 31.86 2of8 s TRP 95 CO 0.12 -0.23 -0.19 -0.51 -4.06 0.00 0.00 176.95 172.07 2of8 s LEU 96 N -2.36 1.91 -0.29 -4.66 1.43 -0.35 -2.03 118.68 112.34 2of8 s LEU 96 Ca -0.01 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 2of8 s LEU 96 Cb -0.00 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 45.04 2of8 s LEU 96 CO -0.05 0.10 0.04 -0.22 0.23 0.00 0.00 176.35 176.45 2of8 s LEU 97 N 0.54 3.73 -0.31 1.79 2.96 0.08 -1.06 118.68 126.41 2of8 s LEU 97 Ca -0.16 -0.86 -0.15 0.00 -0.22 0.00 0.00 54.13 52.74 2of8 s LEU 97 Cb -0.17 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2of8 s LEU 97 CO 0.06 -0.20 0.37 -0.60 -1.32 0.00 0.00 176.35 174.66 2of8 s ARG 98 N 1.41 3.77 0.40 1.98 6.06 0.47 -0.89 118.95 132.14 2of8 s ARG 98 Ca 0.01 -0.21 -0.06 0.00 -2.50 0.00 0.00 55.73 52.97 2of8 s ARG 98 Cb -0.18 -3.74 -0.05 0.00 0.06 0.00 0.00 34.95 31.05 2of8 s ARG 98 CO 0.00 -0.42 0.69 -1.54 -2.50 0.00 0.00 175.30 171.54 2of8 s SER 99 N 1.70 6.38 -0.17 -2.12 1.04 0.09 -1.33 113.70 119.29 2of8 s SER 99 Ca 0.13 0.86 -0.22 0.00 0.48 0.00 0.00 55.95 57.20 2of8 s SER 99 Cb -0.16 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 2of8 s SER 99 CO 0.11 -0.40 0.70 -0.55 0.98 0.00 0.00 173.24 174.08 2of8 s SER 100 N -3.63 6.81 0.33 7.02 0.15 -1.26 -4.87 113.70 118.25 2of8 s SER 100 Ca 0.46 0.99 0.09 0.00 0.70 0.00 0.00 55.95 58.19 2of8 s SER 100 Cb -0.10 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2of8 s SER 100 CO 0.37 -0.28 0.02 0.68 1.20 0.00 0.00 173.24 175.22 2of8 s VAL 101 N 1.77 2.79 0.19 4.45 -7.23 -1.26 -5.04 120.40 116.07 2of8 s VAL 101 Ca 0.33 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2of8 s VAL 101 Cb -0.16 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 2of8 s VAL 101 CO 0.12 -0.23 1.51 0.78 -0.31 0.00 0.00 175.10 176.97 2of8 h ASN 102 N 1.81 0.58 -5.07 4.85 2.35 -1.97 -3.47 115.58 114.65 2of8 h ASN 102 Ca -0.43 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 54.99 2of8 h ASN 102 Cb 1.25 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 2of8 h ASN 102 CO 0.65 1.02 0.18 1.51 -1.65 0.00 0.00 177.43 179.14 2of8 s ASP 103 N -6.92 0.01 0.56 5.81 1.47 -1.26 -5.05 116.67 111.29 2of8 s ASP 103 Ca -0.07 -1.00 0.33 0.00 1.18 0.00 0.00 52.55 52.99 2of8 s ASP 103 Cb 0.11 0.78 1.64 0.00 -0.34 0.00 0.00 42.92 45.11 2of8 s ASP 103 CO 0.84 -1.50 2.11 -0.29 0.68 0.00 0.00 175.17 177.00 2of8 h ILE 104 N 2.03 0.25 0.00 2.11 2.10 -2.01 -1.89 117.51 120.10 2of8 h ILE 104 Ca -0.27 -0.43 -0.00 0.00 1.08 0.00 0.00 64.86 65.24 2of8 h ILE 104 Cb 1.25 1.33 -0.00 0.00 -1.09 0.00 0.00 36.82 38.31 2of8 h ILE 104 CO 0.35 0.06 -0.02 0.77 -1.08 0.00 0.00 178.15 178.22 2of8 h SER 105 N 0.00 0.00 -0.02 2.19 4.64 -2.00 -1.86 113.55 116.49 2of8 h SER 105 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2of8 h SER 105 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2of8 h SER 105 CO 0.01 0.02 -0.05 -1.22 -0.87 0.00 0.00 176.83 174.72 2of8 n TYR 106 N -3.22 0.00 -0.21 4.77 4.01 -0.71 -4.59 117.16 117.21 2of8 n TYR 106 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.85 2of8 n TYR 106 Cb 0.17 -0.00 0.43 0.00 -0.31 0.00 0.00 39.34 39.62 2of8 n TYR 106 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2of8 h ASP 107 N 4.20 0.54 -0.29 7.72 3.58 -1.40 -2.53 116.42 128.24 2of8 h ASP 107 Ca 0.00 0.03 0.09 0.00 0.42 0.00 0.00 57.03 57.56 2of8 h ASP 107 Cb 0.92 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2of8 h ASP 107 CO 0.00 0.29 0.22 4.11 -2.88 0.00 0.00 179.24 180.98 2of8 h TRP 108 N 0.59 0.00 -0.63 0.28 5.08 -1.81 -2.06 115.95 117.40 2of8 h TRP 108 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 2of8 h TRP 108 Cb 0.69 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.85 2of8 h TRP 108 CO -0.00 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.52 2of8 n LYS 109 N -4.40 2.65 -0.00 0.12 2.85 -0.95 -4.59 118.16 113.84 2of8 n LYS 109 Ca 0.04 -2.55 0.14 0.00 -1.05 0.00 0.00 58.31 54.89 2of8 n LYS 109 Cb 0.38 -1.56 0.44 0.00 -0.65 0.00 0.00 35.03 33.65 2of8 n LYS 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2of8 n ALA 110 N 1.62 2.55 -4.00 0.58 0.00 -0.78 -4.83 120.51 115.65 2of8 n ALA 110 Ca 0.23 -0.49 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 2of8 n ALA 110 Cb 0.62 -1.10 -0.16 0.00 0.00 0.00 0.00 19.45 18.81 2of8 n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2of8 s THR 111 N -1.99 1.54 0.13 0.00 2.01 -1.26 -0.73 115.64 115.34 2of8 s THR 111 Ca 0.36 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.66 2of8 s THR 111 Cb 0.21 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2of8 s THR 111 CO 0.33 0.35 0.26 -0.13 -0.69 0.00 0.00 174.62 174.75 2of8 s ARG 112 N 1.48 3.42 0.08 4.92 0.52 -0.07 -4.94 118.95 124.37 2of8 s ARG 112 Ca 0.03 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 2of8 s ARG 112 Cb -0.14 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 2of8 s ARG 112 CO -0.10 0.54 -0.14 0.54 0.02 0.00 0.00 175.30 176.16 2of8 s VAL 113 N -1.69 1.19 0.04 3.52 0.11 -1.26 -0.74 120.40 121.57 2of8 s VAL 113 Ca 0.34 -1.42 -0.07 0.00 -2.93 0.00 0.00 61.98 57.90 2of8 s VAL 113 Cb -0.11 -1.21 0.03 0.00 -1.53 0.00 0.00 36.38 33.55 2of8 s VAL 113 CO 0.28 -0.27 0.34 0.61 -3.33 0.00 0.00 175.10 172.74 2of8 n GLY 114 N 1.09 0.94 3.46 6.54 0.00 -0.86 -5.00 105.19 111.36 2of8 n GLY 114 Ca -0.20 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 2of8 n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2of8 s TYR 115 N -4.28 2.12 -0.17 1.61 -0.85 -1.26 -0.97 117.35 113.56 2of8 s TYR 115 Ca 0.08 -0.55 -0.19 0.00 -0.52 0.00 0.00 57.07 55.89 2of8 s TYR 115 Cb -0.01 -1.13 0.05 0.00 0.38 0.00 0.00 41.96 41.25 2of8 s TYR 115 CO 0.01 0.47 0.52 -0.80 -1.52 0.00 0.00 175.55 174.23 2of8 s ASN 116 N -3.49 -0.53 -0.15 -0.18 0.02 -0.55 -4.91 114.94 105.15 2of8 s ASN 116 Ca 0.30 0.95 -0.03 0.00 -1.02 0.00 0.00 52.86 53.06 2of8 s ASN 116 Cb 0.01 0.97 -0.02 0.00 0.02 0.00 0.00 41.25 42.22 2of8 s ASN 116 CO 0.13 -0.24 -0.06 0.20 0.02 0.00 0.00 177.10 177.16 2of8 s ASN 117 N 0.04 4.59 -0.03 -1.22 0.01 -1.26 -1.31 114.94 115.75 2of8 s ASN 117 Ca -0.02 -0.19 0.05 0.00 -0.71 0.00 0.00 52.86 51.99 2of8 s ASN 117 Cb -0.03 -1.74 -0.03 0.00 0.41 0.00 0.00 41.25 39.86 2of8 s ASN 117 CO 0.02 0.16 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.24 2of8 s PHE 118 N 0.42 2.63 0.19 2.20 0.08 -0.11 -2.28 117.98 121.10 2of8 s PHE 118 Ca -0.05 -0.21 0.05 0.00 0.12 0.00 0.00 56.93 56.84 2of8 s PHE 118 Cb -0.15 -1.58 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2of8 s PHE 118 CO 0.03 0.17 -0.09 0.95 -0.10 0.00 0.00 175.22 176.18 2of8 s THR 119 N -0.75 1.34 0.39 0.64 -4.23 -0.41 -1.07 115.64 111.55 2of8 s THR 119 Ca 0.12 -2.10 -0.26 0.00 -1.18 0.00 0.00 61.69 58.27 2of8 s THR 119 Cb -0.10 -2.06 -0.09 0.00 1.34 0.00 0.00 72.50 71.59 2of8 s THR 119 CO 0.01 -0.58 1.19 -0.13 -0.54 0.00 0.00 174.62 174.57 2of8 s ARG 120 N -3.74 4.09 0.08 3.99 0.52 -1.26 -1.11 118.95 121.52 2of8 s ARG 120 Ca 0.22 1.90 -0.22 0.00 -0.52 0.00 0.00 55.73 57.11 2of8 s ARG 120 Cb 0.02 -2.74 -0.12 0.00 0.52 0.00 0.00 34.95 32.63 2of8 s ARG 120 CO 0.05 -0.30 1.63 1.25 0.02 0.00 0.00 175.30 177.94 2of8 h LEU 121 N 2.76 0.14 -1.42 2.53 5.85 -1.53 -3.44 115.31 120.19 2of8 h LEU 121 Ca -0.49 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2of8 h LEU 121 Cb 1.23 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2of8 h LEU 121 CO 0.63 0.24 0.00 -0.24 -0.34 0.00 0.00 178.44 178.73