#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2s s ALA 2 N 0.00 1.56 -0.22 4.61 0.00 -1.26 -5.09 121.76 121.37 1t2s s ALA 2 Ca 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1t2s s ALA 2 Cb 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 23.12 21.86 1t2s s ALA 2 CO 0.00 -1.20 0.09 1.41 0.00 0.00 0.00 175.76 176.06 1t2s s MET 3 N 1.59 0.29 0.24 0.00 -2.45 -1.26 -5.13 119.30 112.58 1t2s s MET 3 Ca -0.03 -0.36 -0.21 0.00 -1.25 0.00 0.00 55.69 53.83 1t2s s MET 3 Cb -0.18 -1.73 -0.09 0.00 1.25 0.00 0.00 34.83 34.08 1t2s s MET 3 CO -0.07 -0.78 0.77 0.00 1.05 0.00 0.00 175.02 175.99 1t2s s ALA 4 N 2.02 3.37 -0.39 4.11 0.00 -1.26 -4.17 121.76 125.44 1t2s s ALA 4 Ca 0.04 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.03 1t2s s ALA 4 Cb -0.16 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.07 1t2s s ALA 4 CO -0.18 0.29 0.68 -1.64 0.00 0.00 0.00 175.76 174.92 1t2s s MET 5 N -1.98 3.56 0.14 0.00 -1.94 0.16 -4.78 119.30 114.45 1t2s s MET 5 Ca 0.44 -0.03 -0.35 0.00 -1.71 0.00 0.00 55.69 54.05 1t2s s MET 5 Cb -0.17 -3.86 -0.15 0.00 2.01 0.00 0.00 34.83 32.66 1t2s s MET 5 CO 0.22 -0.87 1.37 -2.30 -0.01 0.00 0.00 175.02 173.43 1t2s n PRO 6 N 6.24 1.48 -0.28 2.03 -0.02 -1.26 -0.12 135.00 143.08 1t2s n PRO 6 Ca -0.00 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.08 1t2s n PRO 6 Cb 0.48 -2.18 0.30 0.00 -0.02 0.00 0.00 33.50 32.08 1t2s n PRO 6 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t2s h MET 7 N 4.62 0.86 -0.53 -0.52 2.86 -1.69 0.21 114.93 120.74 1t2s h MET 7 Ca -0.46 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.09 1t2s h MET 7 Cb 1.31 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 1t2s h MET 7 CO 0.79 0.57 0.19 0.82 1.06 0.00 0.00 176.91 180.34 1t2s h ILE 8 N 0.89 1.23 -0.03 -1.22 1.08 -1.82 -0.49 117.51 117.15 1t2s h ILE 8 Ca 0.40 -0.74 -0.15 0.00 -0.39 0.00 0.00 64.86 63.98 1t2s h ILE 8 Cb 0.36 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 1t2s h ILE 8 CO -0.16 0.28 -0.67 -0.08 -0.69 0.00 0.00 178.15 176.82 1t2s h GLU 9 N 0.73 0.13 -0.66 2.37 4.81 -1.51 0.02 114.58 120.47 1t2s h GLU 9 Ca 0.17 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1t2s h GLU 9 Cb 0.24 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1t2s h GLU 9 CO -0.01 0.75 0.35 -0.92 -0.73 0.00 0.00 179.01 178.45 1t2s h TYR 10 N 0.09 0.89 -0.05 0.92 3.20 -0.35 0.10 116.97 121.78 1t2s h TYR 10 Ca -0.01 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1t2s h TYR 10 Cb 1.20 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 1t2s h TYR 10 CO 0.01 0.63 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.07 1t2s h LEU 11 N 0.92 0.11 0.27 2.82 3.38 -0.51 -0.11 115.31 122.18 1t2s h LEU 11 Ca 0.23 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1t2s h LEU 11 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1t2s h LEU 11 CO -0.04 0.52 -0.30 -0.33 0.09 0.00 0.00 178.44 178.38 1t2s h GLU 12 N -0.30 -0.59 0.09 1.13 5.08 -0.63 0.51 114.58 119.86 1t2s h GLU 12 Ca 0.01 0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1t2s h GLU 12 Cb 0.48 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1t2s h GLU 12 CO 0.01 -0.40 -0.56 0.00 -1.00 0.00 0.00 179.01 177.06 1t2s h ARG 13 N -0.62 0.20 0.00 2.33 3.08 -1.09 -2.71 114.38 115.58 1t2s h ARG 13 Ca -0.01 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1t2s h ARG 13 Cb 0.58 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1t2s h ARG 13 CO -0.08 1.16 -0.81 1.19 -1.07 0.00 0.00 179.97 180.36 1t2s n PHE 14 N -4.28 0.00 0.01 3.04 3.72 -0.31 -4.44 117.46 115.20 1t2s n PHE 14 Ca -0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.14 1t2s n PHE 14 Cb 0.71 -0.40 -0.10 0.00 -0.94 0.00 0.00 39.48 38.75 1t2s n PHE 14 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1t2s h SER 15 N -0.81 -0.06 0.00 4.37 0.87 -0.95 -3.37 113.55 113.61 1t2s h SER 15 Ca 0.00 -0.47 -0.25 0.00 -1.23 0.00 0.00 61.79 59.84 1t2s h SER 15 Cb 0.81 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 1t2s h SER 15 CO 0.00 0.46 -2.17 0.18 -0.53 0.00 0.00 176.83 174.76 1t2s n LEU 16 N -4.88 0.00 -0.78 2.23 4.77 0.18 -4.96 117.00 113.56 1t2s n LEU 16 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 1t2s n LEU 16 Cb 0.27 0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1t2s n LEU 16 CO 0.32 0.34 -0.10 0.29 -1.33 0.00 0.00 177.39 176.92 1t2s n LYS 17 N -2.56 -1.12 -4.92 3.23 4.76 -1.04 -4.98 118.16 111.52 1t2s n LYS 17 Ca -0.24 0.81 -0.26 0.00 -2.87 0.00 0.00 58.31 55.75 1t2s n LYS 17 Cb 0.96 -4.90 -0.16 0.00 -1.84 0.00 0.00 35.03 29.09 1t2s n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2s s ALA 18 N -2.17 1.62 0.13 7.82 0.00 -1.07 -4.96 121.76 123.12 1t2s s ALA 18 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 51.96 50.86 1t2s s ALA 18 Cb 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 1t2s s ALA 18 CO 0.00 0.35 1.42 0.21 0.00 0.00 0.00 175.76 177.74 1t2s s LYS 19 N -0.23 4.30 -0.37 0.00 2.47 -1.26 -3.86 119.74 120.79 1t2s s LYS 19 Ca 0.02 2.13 -0.19 0.00 -1.56 0.00 0.00 55.97 56.38 1t2s s LYS 19 Cb -0.10 -3.23 0.00 0.00 -1.46 0.00 0.00 37.83 33.05 1t2s s LYS 19 CO 0.01 -0.47 0.53 0.42 0.16 0.00 0.00 175.35 176.01 1t2s s ILE 20 N 1.07 4.99 0.00 5.43 -1.09 -1.26 -4.79 121.20 125.55 1t2s s ILE 20 Ca 0.65 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 1t2s s ILE 20 Cb -0.38 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1t2s s ILE 20 CO 0.31 -0.30 0.00 0.59 -1.23 0.00 0.00 174.94 174.31 1t2s n ASN 21 N 5.83 1.93 0.09 3.58 3.02 -1.26 -4.98 115.26 123.46 1t2s n ASN 21 Ca -0.04 -0.56 0.12 0.00 -0.03 0.00 0.00 54.58 54.06 1t2s n ASN 21 Cb 0.49 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.11 1t2s n ASN 21 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1t2s n ASN 22 N -0.60 0.52 -0.74 6.41 0.23 -1.26 -3.11 115.26 116.70 1t2s n ASN 22 Ca 0.00 0.59 0.07 0.00 -0.53 0.00 0.00 54.58 54.71 1t2s n ASN 22 Cb 0.00 -0.72 0.20 0.00 -2.08 0.00 0.00 39.78 37.18 1t2s n ASN 22 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1t2s n THR 23 N -2.04 1.52 -2.53 5.53 -2.24 -1.26 -4.85 114.28 108.41 1t2s n THR 23 Ca 0.04 -1.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.05 1t2s n THR 23 Cb 0.29 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1t2s n THR 23 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1t2s s THR 24 N -1.74 4.32 -0.80 4.28 2.01 -1.18 -4.93 115.64 117.60 1t2s s THR 24 Ca 0.31 1.69 -0.03 0.00 0.31 0.00 0.00 61.69 63.96 1t2s s THR 24 Cb 0.21 -4.08 0.18 0.00 0.01 0.00 0.00 72.50 68.82 1t2s s THR 24 CO 0.13 0.14 2.39 -3.20 -0.69 0.00 0.00 174.62 173.39 1t2s n ASN 25 N 3.79 7.17 -0.22 3.53 4.05 -1.26 -4.37 115.26 127.95 1t2s n ASN 25 Ca 0.07 -3.42 0.13 0.00 0.45 0.00 0.00 54.58 51.81 1t2s n ASN 25 Cb 0.48 -1.21 0.34 0.00 1.23 0.00 0.00 39.78 40.62 1t2s n ASN 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1t2s n LEU 26 N 0.56 1.00 -0.16 1.20 -0.00 -1.26 -4.30 117.00 114.04 1t2s n LEU 26 Ca 0.53 -0.25 -0.09 0.00 -0.00 0.00 0.00 56.01 56.19 1t2s n LEU 26 Cb 0.37 -0.13 -0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1t2s n LEU 26 CO 0.47 0.19 0.85 -2.24 -0.00 0.00 0.00 177.39 176.66 1t2s h ASP 27 N 1.08 0.72 1.26 1.45 2.03 -1.85 0.22 116.42 121.33 1t2s h ASP 27 Ca 0.00 -0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1t2s h ASP 27 Cb 0.52 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1t2s h ASP 27 CO 0.00 0.80 0.00 1.88 -1.03 0.00 0.00 179.24 180.89 1t2s h TYR 28 N 0.62 0.00 0.00 4.15 0.05 -1.90 -2.67 116.97 117.22 1t2s h TYR 28 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1t2s h TYR 28 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1t2s h TYR 28 CO 0.03 0.00 -0.99 0.43 -1.05 0.00 0.00 178.16 176.57 1t2s n SER 29 N -2.84 0.76 -0.14 3.88 7.64 -0.79 -4.23 113.62 117.90 1t2s n SER 29 Ca 0.02 0.22 0.15 0.00 1.01 0.00 0.00 58.87 60.27 1t2s n SER 29 Cb 0.36 0.51 0.51 0.00 -1.01 0.00 0.00 64.21 64.58 1t2s n SER 29 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1t2s h ARG 30 N 0.00 0.40 0.00 1.43 9.65 -0.22 0.16 114.38 125.79 1t2s h ARG 30 Ca 0.00 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 1t2s h ARG 30 Cb 0.93 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 1t2s h ARG 30 CO 0.00 0.26 -0.34 0.07 2.80 0.00 0.00 179.97 182.76 1t2s h ARG 31 N 0.41 0.00 -0.17 0.20 -0.00 -1.74 -1.23 114.38 111.84 1t2s h ARG 31 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.33 1t2s h ARG 31 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.75 1t2s h ARG 31 CO -0.11 0.34 0.00 1.97 -0.00 0.00 0.00 179.97 182.17 1t2s n PHE 32 N -3.94 0.20 1.00 4.08 -1.74 0.39 -3.24 117.46 114.22 1t2s n PHE 32 Ca -0.02 -0.10 0.11 0.00 -0.56 0.00 0.00 57.45 56.89 1t2s n PHE 32 Cb 0.40 0.00 0.13 0.00 1.52 0.00 0.00 39.48 41.53 1t2s n PHE 32 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1t2s n LEU 33 N 1.24 0.68 -0.03 5.98 4.77 -0.27 -4.06 117.00 125.31 1t2s n LEU 33 Ca 0.17 -0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1t2s n LEU 33 Cb 0.57 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1t2s n LEU 33 CO 0.15 0.17 0.67 -0.33 -1.33 0.00 0.00 177.39 176.72 1t2s h GLU 34 N 0.04 -0.31 -0.00 3.23 5.08 -1.38 -1.31 114.58 119.93 1t2s h GLU 34 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1t2s h GLU 34 Cb 0.50 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1t2s h GLU 34 CO 0.00 -0.20 0.03 -1.00 -1.00 0.00 0.00 179.01 176.83 1t2s h PRO 35 N -0.32 0.00 0.01 2.33 0.13 -1.80 -0.08 132.00 132.27 1t2s h PRO 35 Ca 0.12 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.99 1t2s h PRO 35 Cb 0.51 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 1t2s h PRO 35 CO -0.38 0.00 -1.40 0.35 -0.23 0.00 0.00 178.00 176.33 1t2s h PHE 36 N 0.00 0.02 0.00 1.56 3.57 -1.62 -3.35 116.94 117.12 1t2s h PHE 36 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1t2s h PHE 36 Cb 0.06 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1t2s h PHE 36 CO 0.00 1.02 -0.86 1.28 -2.23 0.00 0.00 178.31 177.52 1t2s n LEU 37 N -3.19 0.63 -4.61 0.59 4.32 -0.20 -4.89 117.00 109.65 1t2s n LEU 37 Ca -0.10 -0.01 -0.43 0.00 -0.02 0.00 0.00 56.01 55.46 1t2s n LEU 37 Cb 1.00 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 42.64 1t2s n LEU 37 CO 0.46 0.06 1.76 -0.13 -1.22 0.00 0.00 177.39 178.31 1t2s s ARG 38 N -3.14 3.39 0.00 3.23 0.52 -0.27 -2.91 118.95 119.76 1t2s s ARG 38 Ca 0.06 2.10 0.00 0.00 -0.52 0.00 0.00 55.73 57.36 1t2s s ARG 38 Cb 0.15 -4.30 0.00 0.00 0.52 0.00 0.00 34.95 31.32 1t2s s ARG 38 CO 0.77 -1.81 0.00 0.41 0.02 0.00 0.00 175.30 174.69 1t2s n GLY 39 N 5.43 1.04 3.71 -3.53 0.00 0.13 -5.03 105.19 106.94 1t2s n GLY 39 Ca 0.27 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1t2s n GLY 39 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t2s s ILE 40 N -2.35 2.35 -0.13 -0.61 -4.36 -1.12 -4.94 121.20 110.04 1t2s s ILE 40 Ca 0.00 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 1t2s s ILE 40 Cb 0.00 -2.97 0.02 0.00 1.25 0.00 0.00 42.46 40.75 1t2s s ILE 40 CO 0.00 -0.03 -0.16 0.20 0.24 0.00 0.00 174.94 175.19 1t2s s ASN 41 N -3.86 2.65 -0.05 4.36 0.01 -1.26 0.09 114.94 116.88 1t2s s ASN 41 Ca 0.40 -0.48 0.04 0.00 -0.71 0.00 0.00 52.86 52.11 1t2s s ASN 41 Cb 0.04 -1.19 -0.00 0.00 0.41 0.00 0.00 41.25 40.50 1t2s s ASN 41 CO 0.22 -0.00 -0.18 0.68 -1.51 0.00 0.00 177.10 176.31 1t2s s VAL 42 N 1.15 1.51 -0.49 1.60 -7.23 0.34 -2.68 120.40 114.61 1t2s s VAL 42 Ca -0.02 -0.76 -0.26 0.00 -1.81 0.00 0.00 61.98 59.13 1t2s s VAL 42 Cb -0.14 -1.30 0.03 0.00 0.56 0.00 0.00 36.38 35.53 1t2s s VAL 42 CO -0.05 0.43 0.99 -0.69 -0.31 0.00 0.00 175.10 175.47 1t2s s VAL 43 N 0.06 4.37 -0.39 1.32 1.01 0.94 -0.14 120.40 127.56 1t2s s VAL 43 Ca -0.05 0.78 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 1t2s s VAL 43 Cb -0.12 -4.51 0.02 0.00 0.00 0.00 0.00 36.38 31.77 1t2s s VAL 43 CO 0.03 -0.96 1.18 -0.47 0.00 0.00 0.00 175.10 174.87 1t2s s TYR 44 N 4.03 2.85 -0.45 5.22 5.04 0.51 -1.61 117.35 132.94 1t2s s TYR 44 Ca 0.39 0.88 -0.12 0.00 -2.44 0.00 0.00 57.07 55.78 1t2s s TYR 44 Cb -0.10 -4.11 0.08 0.00 0.35 0.00 0.00 41.96 38.19 1t2s s TYR 44 CO 0.26 -1.27 0.34 0.99 -1.34 0.00 0.00 175.55 174.53 1t2s s THR 45 N 4.31 4.69 0.24 4.34 2.01 0.56 -1.60 115.64 130.18 1t2s s THR 45 Ca 0.50 -1.31 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1t2s s THR 45 Cb -0.11 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 1t2s s THR 45 CO 0.25 -0.58 1.15 -2.84 -0.69 0.00 0.00 174.62 171.91 1t2s s PRO 46 N 1.52 4.56 0.48 4.92 0.02 -1.26 -4.80 135.00 140.43 1t2s s PRO 46 Ca 0.04 1.85 -0.23 0.00 0.02 0.00 0.00 61.00 62.68 1t2s s PRO 46 Cb -0.24 -3.21 -0.08 0.00 0.02 0.00 0.00 34.50 30.98 1t2s s PRO 46 CO 0.04 0.06 1.06 -2.30 -0.33 0.00 0.00 177.00 175.52 1t2s n PRO 47 N 1.78 1.35 0.00 5.54 -0.02 -1.26 -4.80 135.00 137.59 1t2s n PRO 47 Ca 0.01 0.49 0.05 0.00 -2.02 0.00 0.00 63.50 62.03 1t2s n PRO 47 Cb 0.45 -2.17 0.24 0.00 -0.02 0.00 0.00 33.50 32.00 1t2s n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t2s n GLN 48 N -0.25 0.10 0.20 -0.52 10.64 -1.26 -0.31 117.38 125.99 1t2s n GLN 48 Ca 0.10 0.23 0.13 0.00 -1.83 0.00 0.00 57.00 55.63 1t2s n GLN 48 Cb 0.42 -1.50 0.25 0.00 -0.86 0.00 0.00 30.24 28.55 1t2s n GLN 48 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1t2s h SER 49 N 0.00 0.00 0.54 2.61 4.64 -1.88 -3.22 113.55 116.24 1t2s h SER 49 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1t2s h SER 49 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1t2s h SER 49 CO 0.00 0.00 -1.47 -0.26 -0.87 0.00 0.00 176.83 174.23 1t2s h PHE 50 N 0.00 0.34 -1.67 4.77 -1.00 -0.94 -3.48 116.94 114.96 1t2s h PHE 50 Ca 0.00 -0.25 -0.34 0.00 2.81 0.00 0.00 57.97 60.19 1t2s h PHE 50 Cb 0.92 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 40.39 1t2s h PHE 50 CO 0.00 1.28 -0.38 1.04 -1.61 0.00 0.00 178.31 178.64 1t2s n GLN 51 N -3.40 -1.28 -3.29 1.51 6.02 -1.21 -4.99 117.38 110.74 1t2s n GLN 51 Ca -0.14 0.95 -0.34 0.00 -0.01 0.00 0.00 57.00 57.46 1t2s n GLN 51 Cb 1.03 -5.29 -0.06 0.00 1.02 0.00 0.00 30.24 26.94 1t2s n GLN 51 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1t2s s SER 52 N -2.51 6.81 -0.05 1.08 0.01 -1.26 -5.05 113.70 112.73 1t2s s SER 52 Ca 0.00 1.13 -0.29 0.00 1.31 0.00 0.00 55.95 58.10 1t2s s SER 52 Cb 0.00 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 1t2s s SER 52 CO 0.00 -0.00 0.95 0.00 0.41 0.00 0.00 173.24 174.60 1t2s s ALA 53 N -1.65 3.27 0.21 1.44 0.00 -1.26 -4.59 121.76 119.18 1t2s s ALA 53 Ca 0.44 0.42 -0.32 0.00 0.00 0.00 0.00 51.96 52.49 1t2s s ALA 53 Cb -0.14 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 1t2s s ALA 53 CO 0.20 -0.36 1.61 -2.30 0.00 0.00 0.00 175.76 174.90 1t2s n PRO 54 N 4.32 2.43 -4.04 0.00 -0.02 -1.26 -4.85 135.00 131.58 1t2s n PRO 54 Ca 0.06 0.87 -0.15 0.00 -2.02 0.00 0.00 63.50 62.26 1t2s n PRO 54 Cb 0.50 -2.66 -0.15 0.00 -0.02 0.00 0.00 33.50 31.18 1t2s n PRO 54 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1t2s s ARG 55 N 0.63 0.31 0.08 -0.52 3.52 -0.63 -4.93 118.95 117.41 1t2s s ARG 55 Ca 0.74 -0.08 -0.25 0.00 -0.13 0.00 0.00 55.73 56.01 1t2s s ARG 55 Cb -0.59 -0.34 -0.06 0.00 -1.56 0.00 0.00 34.95 32.40 1t2s s ARG 55 CO 0.39 0.03 0.78 0.54 -0.81 0.00 0.00 175.30 176.22 1t2s s VAL 56 N 0.18 4.61 0.03 7.11 0.11 -1.26 -0.36 120.40 130.82 1t2s s VAL 56 Ca -0.02 1.67 0.04 0.00 -2.93 0.00 0.00 61.98 60.75 1t2s s VAL 56 Cb -0.04 -4.13 -0.02 0.00 -1.53 0.00 0.00 36.38 30.66 1t2s s VAL 56 CO -0.00 0.41 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.74 1t2s s TYR 57 N -0.39 1.13 -0.07 1.54 2.02 0.80 -4.92 117.35 117.46 1t2s s TYR 57 Ca 0.38 -0.32 -0.28 0.00 -0.37 0.00 0.00 57.07 56.48 1t2s s TYR 57 Cb -0.21 -0.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 1t2s s TYR 57 CO 0.24 0.01 0.92 0.50 -1.57 0.00 0.00 175.55 175.66 1t2s s ARG 58 N -0.95 4.45 -0.32 -0.62 3.52 -1.26 -0.50 118.95 123.27 1t2s s ARG 58 Ca 0.01 1.26 -0.26 0.00 -0.13 0.00 0.00 55.73 56.62 1t2s s ARG 58 Cb -0.07 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1t2s s ARG 58 CO 0.01 -0.16 0.91 0.08 -0.81 0.00 0.00 175.30 175.32 1t2s s VAL 59 N 1.49 4.66 0.05 7.11 1.01 0.11 -3.83 120.40 131.00 1t2s s VAL 59 Ca 0.46 1.36 0.10 0.00 0.00 0.00 0.00 61.98 63.90 1t2s s VAL 59 Cb -0.19 -4.27 -0.22 0.00 0.00 0.00 0.00 36.38 31.70 1t2s s VAL 59 CO 0.21 -0.38 1.01 0.78 0.00 0.00 0.00 175.10 176.71 1t2s h ASN 60 N 8.18 0.00 0.00 3.32 2.35 -1.71 0.44 115.58 128.16 1t2s h ASN 60 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1t2s h ASN 60 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1t2s h ASN 60 CO 0.95 1.00 0.00 0.61 -1.65 0.00 0.00 177.43 178.34 1t2s n GLY 61 N 1.44 -0.53 3.22 2.83 0.00 -1.11 -4.41 105.19 106.62 1t2s n GLY 61 Ca -0.07 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1t2s n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2s s LEU 62 N 0.00 2.45 0.31 0.99 1.43 -1.26 -0.75 118.68 121.85 1t2s s LEU 62 Ca 0.00 -0.88 0.06 0.00 -1.03 0.00 0.00 54.13 52.28 1t2s s LEU 62 Cb 0.00 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1t2s s LEU 62 CO 0.00 -0.26 0.40 -0.44 0.23 0.00 0.00 176.35 176.28 1t2s s SER 63 N -2.70 5.89 0.32 2.29 0.01 -0.22 -4.68 113.70 114.60 1t2s s SER 63 Ca 0.10 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.17 1t2s s SER 63 Cb -0.01 -1.32 0.53 0.00 0.21 0.00 0.00 66.02 65.43 1t2s s SER 63 CO 0.01 -0.32 1.94 -0.09 0.41 0.00 0.00 173.24 175.18 1t2s h ARG 64 N 1.05 0.85 -6.08 12.44 1.12 -2.02 -3.38 114.38 118.37 1t2s h ARG 64 Ca -0.47 -0.10 -0.54 0.00 -1.11 0.00 0.00 59.98 57.76 1t2s h ARG 64 Cb 1.25 -0.17 -0.21 0.00 -0.01 0.00 0.00 29.97 30.83 1t2s h ARG 64 CO 0.56 0.64 -0.81 0.00 -3.11 0.00 0.00 179.97 177.25 1t2s s ALA 65 N -5.55 1.85 1.08 2.80 0.00 -1.26 -4.98 121.76 115.70 1t2s s ALA 65 Ca -0.10 -1.31 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 1t2s s ALA 65 Cb 0.17 -0.22 0.24 0.00 0.00 0.00 0.00 23.12 23.30 1t2s s ALA 65 CO 0.78 0.32 1.07 -2.14 0.00 0.00 0.00 175.76 175.79 1t2s s PRO 66 N -2.17 -0.25 0.56 0.00 0.02 -1.26 -2.95 135.00 128.95 1t2s s PRO 66 Ca 0.09 1.06 0.36 0.00 0.02 0.00 0.00 61.00 62.52 1t2s s PRO 66 Cb -0.09 -1.61 1.60 0.00 0.02 0.00 0.00 34.50 34.42 1t2s s PRO 66 CO 0.05 -3.34 2.06 0.00 -0.33 0.00 0.00 177.00 175.43 1t2s h ALA 67 N -2.36 1.00 0.00 -1.55 0.00 -1.18 -0.81 119.26 114.36 1t2s h ALA 67 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1t2s h ALA 67 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1t2s h ALA 67 CO 0.48 0.00 -0.28 -1.13 0.00 0.00 0.00 179.25 178.32 1t2s n SER 68 N -3.03 0.54 -0.12 0.00 3.41 -1.20 -0.57 113.62 112.64 1t2s n SER 68 Ca -0.00 0.27 -0.26 0.00 -0.26 0.00 0.00 58.87 58.61 1t2s n SER 68 Cb 0.24 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1t2s n SER 68 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1t2s n SER 69 N -1.91 1.95 -4.72 4.04 7.64 -0.36 -4.90 113.62 115.36 1t2s n SER 69 Ca 0.05 0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.81 1t2s n SER 69 Cb 0.40 -0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 1t2s n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1t2s s GLU 70 N -2.48 4.40 0.19 1.43 0.41 -0.92 -4.95 118.70 116.78 1t2s s GLU 70 Ca -0.35 1.92 0.09 0.00 -0.41 0.00 0.00 54.97 56.22 1t2s s GLU 70 Cb 0.12 -3.28 -0.04 0.00 -1.78 0.00 0.00 34.13 29.14 1t2s s GLU 70 CO 0.54 -0.30 -0.10 0.95 -0.49 0.00 0.00 175.26 175.86 1t2s s THR 71 N 0.84 3.15 0.07 3.63 -4.23 -1.26 -1.60 115.64 116.24 1t2s s THR 71 Ca 0.60 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1t2s s THR 71 Cb -0.33 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1t2s s THR 71 CO 0.31 -0.15 -0.05 0.72 -0.54 0.00 0.00 174.62 174.91 1t2s s PHE 72 N -1.81 0.67 -0.26 3.99 -0.71 0.19 -4.94 117.98 115.11 1t2s s PHE 72 Ca 0.26 -0.98 -0.24 0.00 -1.04 0.00 0.00 56.93 54.93 1t2s s PHE 72 Cb -0.08 -0.44 -0.00 0.00 -1.21 0.00 0.00 43.02 41.29 1t2s s PHE 72 CO 0.15 -0.27 0.82 -2.00 -1.34 0.00 0.00 175.22 172.59 1t2s s GLU 73 N -3.75 4.13 -0.29 1.99 -6.30 -1.26 -1.77 118.70 111.44 1t2s s GLU 73 Ca 0.08 0.86 -0.01 0.00 -2.50 0.00 0.00 54.97 53.40 1t2s s GLU 73 Cb 0.06 -3.67 0.09 0.00 0.00 0.00 0.00 34.13 30.62 1t2s s GLU 73 CO -0.07 -0.57 0.09 -1.58 0.02 0.00 0.00 175.26 173.15 1t2s s HIS 74 N 2.89 1.55 -1.46 5.30 2.46 0.24 -4.87 115.29 121.40 1t2s s HIS 74 Ca 0.34 -1.58 -0.09 0.00 0.47 0.00 0.00 55.06 54.21 1t2s s HIS 74 Cb -0.15 -1.57 0.06 0.00 -0.13 0.00 0.00 32.58 30.78 1t2s s HIS 74 CO 0.09 -0.84 0.85 -0.25 -2.47 0.00 0.00 174.74 172.12 1t2s n ASP 75 N 4.89 -3.33 0.00 9.88 8.00 -1.26 -0.70 116.55 134.03 1t2s n ASP 75 Ca -0.03 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1t2s n ASP 75 Cb 0.43 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 1t2s n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t2s n GLY 76 N -1.67 1.63 3.94 0.44 0.00 -1.26 -5.03 105.19 103.23 1t2s n GLY 76 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1t2s n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2s s LYS 77 N -0.57 3.40 -0.44 1.61 -0.14 0.12 -5.08 119.74 118.65 1t2s s LYS 77 Ca 0.00 -0.65 0.02 0.00 -1.36 0.00 0.00 55.97 53.99 1t2s s LYS 77 Cb 0.00 -2.93 0.12 0.00 -1.68 0.00 0.00 37.83 33.34 1t2s s LYS 77 CO 0.00 0.50 0.18 0.15 -0.76 0.00 0.00 175.35 175.42 1t2s s LYS 78 N -3.37 1.83 0.09 1.68 1.02 -1.26 0.80 119.74 120.53 1t2s s LYS 78 Ca 0.34 -2.20 -0.01 0.00 0.02 0.00 0.00 55.97 54.12 1t2s s LYS 78 Cb -0.11 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1t2s s LYS 78 CO 0.28 -1.04 0.26 0.14 -0.92 0.00 0.00 175.35 174.08 1t2s s VAL 79 N 0.42 5.32 0.66 3.17 -7.23 -0.73 -4.74 120.40 117.26 1t2s s VAL 79 Ca 0.13 -0.29 -0.11 0.00 -1.81 0.00 0.00 61.98 59.91 1t2s s VAL 79 Cb -0.22 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.07 1t2s s VAL 79 CO -0.04 0.09 1.05 0.42 -0.31 0.00 0.00 175.10 176.31 1t2s s THR 80 N -1.57 4.29 0.23 5.32 -4.23 -1.26 -0.64 115.64 117.78 1t2s s THR 80 Ca 0.37 0.74 -0.06 0.00 -1.18 0.00 0.00 61.69 61.56 1t2s s THR 80 Cb -0.13 -3.68 0.19 0.00 1.34 0.00 0.00 72.50 70.23 1t2s s THR 80 CO 0.27 -0.97 1.81 0.40 -0.54 0.00 0.00 174.62 175.60 1t2s h ILE 81 N -0.49 0.95 -0.11 2.99 1.08 -0.34 -0.16 117.51 121.42 1t2s h ILE 81 Ca -0.44 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1t2s h ILE 81 Cb 1.21 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1t2s h ILE 81 CO 0.61 0.14 0.05 0.00 -0.69 0.00 0.00 178.15 178.27 1t2s h ALA 82 N 1.41 0.15 -0.10 1.87 0.00 -1.13 -2.13 119.26 119.33 1t2s h ALA 82 Ca 0.36 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1t2s h ALA 82 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1t2s h ALA 82 CO -0.22 -0.29 -0.18 0.77 0.00 0.00 0.00 179.25 179.34 1t2s h SER 83 N 0.05 0.16 -0.23 0.00 0.02 -1.71 0.15 113.55 111.99 1t2s h SER 83 Ca 0.04 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1t2s h SER 83 Cb 0.13 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1t2s h SER 83 CO -0.00 0.35 -0.12 0.22 -1.14 0.00 0.00 176.83 176.14 1t2s h TYR 84 N 0.16 0.57 -0.64 3.45 3.20 -0.81 0.18 116.97 123.07 1t2s h TYR 84 Ca 0.03 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 1t2s h TYR 84 Cb 0.41 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1t2s h TYR 84 CO 0.00 0.77 0.09 0.74 -1.64 0.00 0.00 178.16 178.13 1t2s h PHE 85 N 0.21 1.14 -0.76 -3.82 -1.00 -1.04 -0.96 116.94 110.71 1t2s h PHE 85 Ca 0.05 -0.16 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 1t2s h PHE 85 Cb 0.62 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.84 1t2s h PHE 85 CO 0.06 0.97 0.39 1.25 -1.61 0.00 0.00 178.31 179.38 1t2s h HIS 86 N 0.99 1.07 0.00 -0.55 2.76 -0.52 0.07 115.15 118.96 1t2s h HIS 86 Ca 0.19 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1t2s h HIS 86 Cb 0.45 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1t2s h HIS 86 CO 0.03 0.77 -0.19 1.03 -1.30 0.00 0.00 177.93 178.27 1t2s h SER 87 N 1.06 0.00 -0.25 3.26 0.87 -0.29 -0.91 113.55 117.29 1t2s h SER 87 Ca 0.26 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1t2s h SER 87 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1t2s h SER 87 CO -0.04 0.19 0.02 -1.14 -0.53 0.00 0.00 176.83 175.33 1t2s n ARG 88 N -3.73 2.56 -2.55 2.24 3.00 -0.40 -4.85 116.66 112.93 1t2s n ARG 88 Ca -0.02 -1.32 -0.15 0.00 -0.00 0.00 0.00 57.85 56.37 1t2s n ARG 88 Cb 0.30 -1.80 0.01 0.00 0.00 0.00 0.00 32.46 30.97 1t2s n ARG 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1t2s n ASN 89 N 0.23 -4.57 -3.62 6.15 4.05 -0.35 -4.68 115.26 112.47 1t2s n ASN 89 Ca 0.13 -0.11 -0.29 0.00 0.45 0.00 0.00 54.58 54.75 1t2s n ASN 89 Cb 0.67 -3.57 -0.13 0.00 1.23 0.00 0.00 39.78 37.99 1t2s n ASN 89 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1t2s s TYR 90 N -2.86 1.44 -0.25 1.20 5.04 -0.10 -4.99 117.35 116.83 1t2s s TYR 90 Ca 0.11 -2.01 -0.29 0.00 -2.44 0.00 0.00 57.07 52.45 1t2s s TYR 90 Cb -0.05 -1.49 -0.03 0.00 0.35 0.00 0.00 41.96 40.75 1t2s s TYR 90 CO 0.14 -0.81 1.69 -1.25 -1.34 0.00 0.00 175.55 173.98 1t2s s PRO 91 N 0.81 3.65 -0.13 4.97 0.04 -1.26 -2.78 135.00 140.30 1t2s s PRO 91 Ca 0.17 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1t2s s PRO 91 Cb -0.23 -4.09 -0.05 0.00 0.04 0.00 0.00 34.50 30.17 1t2s s PRO 91 CO -0.03 -1.47 1.76 -0.51 0.04 0.00 0.00 177.00 176.78 1t2s s LEU 92 N 5.73 4.06 0.36 -3.56 1.43 -1.26 -4.87 118.68 120.58 1t2s s LEU 92 Ca 0.75 2.02 0.11 0.00 -1.03 0.00 0.00 54.13 55.97 1t2s s LEU 92 Cb -0.25 -3.53 0.69 0.00 0.03 0.00 0.00 46.19 43.13 1t2s s LEU 92 CO 0.31 -1.21 1.82 0.11 0.23 0.00 0.00 176.35 177.61 1t2s h LYS 93 N 10.86 0.07 -1.41 1.70 1.57 -1.99 -3.35 116.57 124.01 1t2s h LYS 93 Ca -0.39 -0.03 -0.46 0.00 -1.87 0.00 0.00 60.65 57.91 1t2s h LYS 93 Cb 1.18 -0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.17 1t2s h LYS 93 CO 0.97 0.41 -0.92 1.97 -0.57 0.00 0.00 179.45 181.31 1t2s n PHE 94 N -4.11 -1.27 0.70 -1.35 1.16 -1.26 -4.54 117.46 106.78 1t2s n PHE 94 Ca -0.02 -3.02 0.08 0.00 -1.87 0.00 0.00 57.45 52.63 1t2s n PHE 94 Cb 0.40 0.23 0.40 0.00 -1.61 0.00 0.00 39.48 38.89 1t2s n PHE 94 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1t2s n PRO 95 N 1.50 0.12 -0.11 3.97 -0.04 -1.26 -3.00 135.00 136.18 1t2s n PRO 95 Ca 0.18 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 1t2s n PRO 95 Cb 0.56 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.82 1t2s n PRO 95 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1t2s n GLN 96 N -1.40 1.71 -0.71 0.54 6.02 -1.26 -0.86 117.38 121.42 1t2s n GLN 96 Ca 0.06 -1.08 -0.13 0.00 -0.01 0.00 0.00 57.00 55.84 1t2s n GLN 96 Cb 0.17 -1.34 0.05 0.00 1.02 0.00 0.00 30.24 30.14 1t2s n GLN 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1t2s n LEU 97 N 0.33 5.62 -1.40 1.08 4.77 -1.16 -4.74 117.00 121.49 1t2s n LEU 97 Ca 0.14 -2.87 0.18 0.00 -0.03 0.00 0.00 56.01 53.44 1t2s n LEU 97 Cb 0.30 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 40.44 1t2s n LEU 97 CO 0.11 1.01 -0.37 1.41 -1.33 0.00 0.00 177.39 178.22 1t2s n HIS 98 N 0.20 -3.58 -4.34 -1.77 8.25 -1.26 -4.82 115.22 107.89 1t2s n HIS 98 Ca 0.26 1.84 -0.34 0.00 -0.26 0.00 0.00 57.72 59.22 1t2s n HIS 98 Cb 0.75 -3.25 -0.11 0.00 1.12 0.00 0.00 29.99 28.49 1t2s n HIS 98 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t2s s LEU 100 N 0.16 4.33 -0.63 0.00 2.96 0.57 -1.06 118.68 125.01 1t2s s LEU 100 Ca -0.00 1.98 -0.19 0.00 -0.22 0.00 0.00 54.13 55.69 1t2s s LEU 100 Cb -0.13 -3.57 0.11 0.00 0.50 0.00 0.00 46.19 43.10 1t2s s LEU 100 CO 0.02 -0.57 0.76 0.21 -1.32 0.00 0.00 176.35 175.46 1t2s s ASN 101 N 1.39 6.24 0.16 3.68 3.84 0.07 -2.34 114.94 127.97 1t2s s ASN 101 Ca 0.59 -1.48 0.01 0.00 0.21 0.00 0.00 52.86 52.19 1t2s s ASN 101 Cb -0.28 -2.32 -0.01 0.00 -0.55 0.00 0.00 41.25 38.09 1t2s s ASN 101 CO 0.26 -1.13 0.05 1.33 -2.79 0.00 0.00 177.10 174.82 1t2s n VAL 102 N 5.51 0.00 0.00 -5.21 0.24 -1.05 -2.20 118.33 115.62 1t2s n VAL 102 Ca -0.06 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 1t2s n VAL 102 Cb 0.43 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 1t2s n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t2s n GLY 103 N 1.28 0.93 3.62 7.63 0.00 -1.25 -1.32 105.19 116.08 1t2s n GLY 103 Ca -0.03 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 1t2s n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t2s s SER 104 N -4.00 0.67 -0.01 1.61 0.01 0.22 -4.74 113.70 107.47 1t2s s SER 104 Ca 0.00 -1.42 -0.24 0.00 1.31 0.00 0.00 55.95 55.60 1t2s s SER 104 Cb 0.00 0.76 -0.16 0.00 0.21 0.00 0.00 66.02 66.83 1t2s s SER 104 CO 0.00 -1.50 1.15 0.28 0.41 0.00 0.00 173.24 173.58 1t2s h SER 105 N 2.04 -0.30 0.09 2.44 0.02 -2.00 -2.83 113.55 113.01 1t2s h SER 105 Ca -0.30 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.36 1t2s h SER 105 Cb 1.24 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1t2s h SER 105 CO 0.40 0.11 -0.22 0.16 -1.14 0.00 0.00 176.83 176.15 1t2s h ILE 106 N -0.76 1.22 -3.08 3.27 3.07 -2.00 -3.33 117.51 115.89 1t2s h ILE 106 Ca -0.04 -1.01 -0.62 0.00 1.55 0.00 0.00 64.86 64.74 1t2s h ILE 106 Cb 0.50 1.36 -0.41 0.00 -0.27 0.00 0.00 36.82 38.00 1t2s h ILE 106 CO 0.06 0.31 -0.66 -0.75 -1.05 0.00 0.00 178.15 176.06 1t2s s LYS 107 N -4.54 1.93 -0.06 0.16 2.20 -1.22 -5.08 119.74 113.13 1t2s s LYS 107 Ca -0.05 -2.74 -0.24 0.00 -0.36 0.00 0.00 55.97 52.57 1t2s s LYS 107 Cb 0.15 -2.97 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 1t2s s LYS 107 CO 0.74 -1.22 0.74 -1.12 -0.36 0.00 0.00 175.35 174.13 1t2s s SER 108 N -0.60 7.04 -0.06 1.43 0.01 -1.07 -0.61 113.70 119.83 1t2s s SER 108 Ca 0.22 1.25 0.04 0.00 1.31 0.00 0.00 55.95 58.77 1t2s s SER 108 Cb -0.14 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1t2s s SER 108 CO -0.09 -0.13 -0.19 0.27 0.41 0.00 0.00 173.24 173.51 1t2s s ILE 109 N 0.83 2.65 -0.27 1.44 -4.36 -0.43 -4.97 121.20 116.08 1t2s s ILE 109 Ca 0.39 -0.86 -0.11 0.00 -0.26 0.00 0.00 60.65 59.81 1t2s s ILE 109 Cb -0.18 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.46 1t2s s ILE 109 CO 0.19 0.57 0.20 -0.76 0.24 0.00 0.00 174.94 175.39 1t2s s LEU 110 N -0.38 4.03 0.02 0.37 1.02 -1.26 -2.54 118.68 119.95 1t2s s LEU 110 Ca 0.03 0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.25 1t2s s LEU 110 Cb -0.12 -2.14 -0.02 0.00 0.02 0.00 0.00 46.19 43.93 1t2s s LEU 110 CO 0.02 -0.05 -0.12 -0.76 0.02 0.00 0.00 176.35 175.46 1t2s s LEU 111 N 1.71 2.12 -0.11 1.79 1.43 -0.99 -4.86 118.68 119.78 1t2s s LEU 111 Ca 0.08 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 1t2s s LEU 111 Cb -0.16 -0.52 -0.06 0.00 0.03 0.00 0.00 46.19 45.48 1t2s s LEU 111 CO 0.10 0.04 1.96 -2.16 0.23 0.00 0.00 176.35 176.53 1t2s s PRO 112 N -0.84 3.72 0.65 1.29 0.04 -1.26 -0.32 135.00 138.29 1t2s s PRO 112 Ca 0.01 2.19 0.33 0.00 0.04 0.00 0.00 61.00 63.57 1t2s s PRO 112 Cb -0.07 -4.20 1.83 0.00 0.04 0.00 0.00 34.50 32.10 1t2s s PRO 112 CO 0.01 -1.42 2.06 0.97 0.04 0.00 0.00 177.00 178.66 1t2s h ILE 113 N 6.25 0.11 -0.90 0.56 2.10 -1.88 0.07 117.51 123.82 1t2s h ILE 113 Ca -0.43 0.00 0.10 0.00 1.08 0.00 0.00 64.86 65.61 1t2s h ILE 113 Cb 1.22 0.77 -0.07 0.00 -1.09 0.00 0.00 36.82 37.66 1t2s h ILE 113 CO 0.96 0.00 0.58 -0.08 -1.08 0.00 0.00 178.15 178.53 1t2s h GLU 114 N 0.00 0.87 -0.01 2.19 4.81 -1.95 -1.53 114.58 118.96 1t2s h GLU 114 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1t2s h GLU 114 Cb 0.51 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1t2s h GLU 114 CO -0.00 0.58 -0.05 1.28 -0.73 0.00 0.00 179.01 180.09 1t2s n LEU 115 N -4.54 1.33 -4.70 1.64 4.77 0.01 -4.59 117.00 110.93 1t2s n LEU 115 Ca 0.16 -0.43 -0.36 0.00 -0.03 0.00 0.00 56.01 55.35 1t2s n LEU 115 Cb 0.31 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1t2s n LEU 115 CO 0.31 0.23 -0.07 0.00 -1.33 0.00 0.00 177.39 176.52 1t2s s SER 117 N 0.68 2.88 -0.07 0.00 0.15 -0.63 -2.30 113.70 114.41 1t2s s SER 117 Ca 0.13 -0.52 -0.30 0.00 0.70 0.00 0.00 55.95 55.96 1t2s s SER 117 Cb -0.13 -1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.87 1t2s s SER 117 CO 0.03 0.15 1.37 -0.63 1.20 0.00 0.00 173.24 175.35 1t2s s ILE 118 N 0.35 3.95 0.26 6.45 1.01 0.83 -0.04 121.20 134.02 1t2s s ILE 118 Ca -0.17 1.25 -0.31 0.00 0.00 0.00 0.00 60.65 61.42 1t2s s ILE 118 Cb -0.17 -3.81 -0.12 0.00 0.01 0.00 0.00 42.46 38.38 1t2s s ILE 118 CO 0.08 -0.05 1.66 -0.70 0.00 0.00 0.00 174.94 175.92 1t2s s GLU 119 N 2.95 4.11 0.56 2.79 -6.30 -1.09 0.39 118.70 122.11 1t2s s GLU 119 Ca 0.61 2.61 0.24 0.00 -2.50 0.00 0.00 54.97 55.94 1t2s s GLU 119 Cb -0.28 -3.04 1.59 0.00 0.00 0.00 0.00 34.13 32.41 1t2s s GLU 119 CO 0.23 -0.70 2.21 1.05 0.02 0.00 0.00 175.26 178.07 1t2s h GLU 120 N 5.59 0.00 0.00 4.30 4.11 -1.93 0.16 114.58 126.81 1t2s h GLU 120 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1t2s h GLU 120 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1t2s h GLU 120 CO 0.86 0.00 0.00 0.78 0.07 0.00 0.00 179.01 180.72 1t2s h GLY 121 N 0.00 0.00 2.00 1.06 0.00 -1.92 -3.25 103.07 100.96 1t2s h GLY 121 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 1t2s h GLY 121 CO -0.00 0.00 -0.56 1.46 0.00 0.00 0.00 176.54 177.44 1t2s h GLN 122 N 0.00 0.00 0.00 4.80 1.08 -1.03 -3.53 115.11 116.43 1t2s h GLN 122 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1t2s h GLN 122 Cb 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1t2s h GLN 122 CO 0.00 0.56 0.00 0.00 -0.95 0.00 0.00 178.83 178.44