#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2s n ALA 2 N 0.00 -1.69 -2.90 4.61 0.00 -1.26 -4.93 120.51 114.33 1t2s n ALA 2 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 1t2s n ALA 2 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 19.45 15.76 1t2s n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1t2s n MET 3 N -4.52 3.83 -2.45 0.00 0.00 -1.26 -4.98 117.12 107.74 1t2s n MET 3 Ca -0.15 -4.79 -0.40 0.00 -0.00 0.00 0.00 57.70 52.36 1t2s n MET 3 Cb 0.62 -2.31 -0.03 0.00 0.00 0.00 0.00 33.22 31.49 1t2s n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t2s s ALA 4 N -3.61 2.58 -0.27 -5.12 0.00 -1.26 -3.58 121.76 110.50 1t2s s ALA 4 Ca 0.45 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 1t2s s ALA 4 Cb 0.24 -4.35 -0.02 0.00 0.00 0.00 0.00 23.12 18.98 1t2s s ALA 4 CO -0.12 -3.56 0.57 -1.64 0.00 0.00 0.00 175.76 171.01 1t2s s MET 5 N 5.82 4.05 0.23 0.00 -1.94 -0.85 -4.89 119.30 121.72 1t2s s MET 5 Ca 0.45 0.39 -0.31 0.00 -1.71 0.00 0.00 55.69 54.50 1t2s s MET 5 Cb -0.07 -3.67 -0.14 0.00 2.01 0.00 0.00 34.83 32.97 1t2s s MET 5 CO 0.08 -0.41 1.35 -2.30 -0.01 0.00 0.00 175.02 173.74 1t2s n PRO 6 N 5.66 1.88 0.21 2.03 -0.02 -1.26 -0.13 135.00 143.37 1t2s n PRO 6 Ca -0.02 0.67 0.10 0.00 -2.02 0.00 0.00 63.50 62.22 1t2s n PRO 6 Cb 0.49 -2.29 0.64 0.00 -0.02 0.00 0.00 33.50 32.33 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 3.97 0.01 -0.11 -0.52 2.86 -1.01 0.28 114.93 120.41 1t2s h MET 7 Ca -0.45 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 1t2s h MET 7 Cb 1.29 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 1t2s h MET 7 CO 0.74 0.01 -0.04 0.82 1.06 0.00 0.00 176.91 179.50 1t2s h ILE 8 N 0.01 1.30 -0.76 -1.22 1.08 -1.80 -0.98 117.51 115.14 1t2s h ILE 8 Ca 0.04 -1.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 1t2s h ILE 8 Cb 0.15 1.73 -0.04 0.00 -3.07 0.00 0.00 36.82 35.59 1t2s h ILE 8 CO -0.00 0.29 0.44 -0.08 -0.69 0.00 0.00 178.15 178.11 1t2s h GLU 9 N -0.10 1.04 -0.53 2.37 4.57 -1.30 -0.48 114.58 120.14 1t2s h GLU 9 Ca 0.03 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1t2s h GLU 9 Cb 0.46 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1t2s h GLU 9 CO 0.01 0.75 0.31 -0.92 -1.18 0.00 0.00 179.01 177.98 1t2s h TYR 10 N 1.04 0.72 -0.49 0.92 3.20 -0.53 -1.07 116.97 120.76 1t2s h TYR 10 Ca 0.27 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1t2s h TYR 10 Cb -0.01 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1t2s h TYR 10 CO -0.01 0.51 0.32 1.25 -1.64 0.00 0.00 178.16 178.59 1t2s h LEU 11 N 0.71 0.56 0.58 2.82 5.85 -0.63 -0.68 115.31 124.53 1t2s h LEU 11 Ca 0.19 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1t2s h LEU 11 Cb 0.01 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1t2s h LEU 11 CO -0.03 0.41 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.86 1t2s h GLU 12 N 0.66 -0.76 -0.26 1.25 5.08 -0.76 0.43 114.58 120.22 1t2s h GLU 12 Ca 0.18 0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1t2s h GLU 12 Cb -0.08 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1t2s h GLU 12 CO -0.04 -0.50 -0.28 0.00 -1.00 0.00 0.00 179.01 177.19 1t2s h ARG 13 N -0.79 0.64 0.00 2.33 3.08 -1.11 0.35 114.38 118.88 1t2s h ARG 13 Ca -0.08 -0.35 -0.45 0.00 0.07 0.00 0.00 59.98 59.18 1t2s h ARG 13 Cb 0.60 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 1t2s h ARG 13 CO 0.13 0.95 -2.53 1.19 -1.07 0.00 0.00 179.97 178.64 1t2s n PHE 14 N -4.31 0.00 0.03 3.04 3.01 -0.27 -4.22 117.46 114.74 1t2s n PHE 14 Ca -0.04 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.29 1t2s n PHE 14 Cb 0.46 -1.00 -0.14 0.00 -0.01 0.00 0.00 39.48 38.80 1t2s n PHE 14 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1t2s h SER 15 N -0.72 0.18 0.00 4.37 0.02 -1.34 -3.41 113.55 112.66 1t2s h SER 15 Ca -0.67 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 59.89 1t2s h SER 15 Cb 1.70 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 64.16 1t2s h SER 15 CO -0.33 1.24 -1.38 0.18 -1.14 0.00 0.00 176.83 175.40 1t2s n LEU 16 N -3.30 1.14 -1.06 5.07 4.77 0.04 -4.99 117.00 118.67 1t2s n LEU 16 Ca -0.14 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 1t2s n LEU 16 Cb 1.03 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 42.05 1t2s n LEU 16 CO 0.47 0.32 -0.13 0.29 -1.33 0.00 0.00 177.39 177.01 1t2s n LYS 17 N -2.39 -1.14 -2.14 3.23 4.76 0.12 -4.95 118.16 115.65 1t2s n LYS 17 Ca -0.10 0.97 -0.01 0.00 -2.87 0.00 0.00 58.31 56.30 1t2s n LYS 17 Cb 0.66 -5.13 -0.00 0.00 -1.84 0.00 0.00 35.03 28.71 1t2s n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2s n ALA 18 N 1.26 0.04 -2.78 7.82 0.00 -1.15 -5.00 120.51 120.69 1t2s n ALA 18 Ca -0.14 -0.12 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 1t2s n ALA 18 Cb 0.50 0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 1t2s n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1t2s s LYS 19 N -2.09 4.05 -0.37 0.00 2.47 -1.26 -4.56 119.74 117.98 1t2s s LYS 19 Ca 0.01 -0.30 -0.21 0.00 -1.56 0.00 0.00 55.97 53.91 1t2s s LYS 19 Cb 0.00 -3.31 0.01 0.00 -1.46 0.00 0.00 37.83 33.06 1t2s s LYS 19 CO 0.01 0.25 0.68 0.42 0.16 0.00 0.00 175.35 176.87 1t2s s ILE 20 N 0.46 4.83 0.00 5.43 -1.09 -1.26 -4.86 121.20 124.72 1t2s s ILE 20 Ca 0.05 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 1t2s s ILE 20 Cb -0.12 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1t2s s ILE 20 CO -0.00 -0.39 0.00 -0.46 -1.23 0.00 0.00 174.94 172.86 1t2s n ASN 21 N 6.19 0.00 0.00 3.58 0.23 -1.26 -5.01 115.26 119.00 1t2s n ASN 21 Ca -0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 1t2s n ASN 21 Cb 0.48 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.34 1t2s n ASN 21 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1t2s n ASN 22 N 0.00 0.00 -1.54 0.53 6.94 -1.26 -1.71 115.26 118.22 1t2s n ASN 22 Ca 0.00 0.27 0.08 0.00 -0.02 0.00 0.00 54.58 54.92 1t2s n ASN 22 Cb 0.00 -0.34 0.34 0.00 -2.36 0.00 0.00 39.78 37.42 1t2s n ASN 22 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1t2s n THR 23 N -1.34 1.80 -1.73 5.53 -2.24 -1.26 -4.98 114.28 110.06 1t2s n THR 23 Ca 0.03 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.28 1t2s n THR 23 Cb 0.06 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 1t2s n THR 23 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1t2s s THR 24 N -1.93 2.01 -2.10 4.28 -4.23 -0.69 -4.87 115.64 108.11 1t2s s THR 24 Ca 0.48 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 61.17 1t2s s THR 24 Cb 0.32 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 71.32 1t2s s THR 24 CO 0.22 0.00 1.08 0.59 -0.54 0.00 0.00 174.62 175.97 1t2s n ASN 25 N 3.61 2.52 -0.02 3.99 5.03 -1.26 -4.48 115.26 124.66 1t2s n ASN 25 Ca 0.14 -1.74 0.16 0.00 0.87 0.00 0.00 54.58 54.01 1t2s n ASN 25 Cb 0.35 -0.03 0.91 0.00 -1.02 0.00 0.00 39.78 39.99 1t2s n ASN 25 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1t2s n LEU 26 N 0.98 0.07 0.35 3.41 7.99 -1.26 -3.54 117.00 124.99 1t2s n LEU 26 Ca 0.11 0.01 -0.16 0.00 -0.01 0.00 0.00 56.01 55.95 1t2s n LEU 26 Cb 0.44 -0.03 -0.08 0.00 -0.11 0.00 0.00 43.42 43.63 1t2s n LEU 26 CO 0.11 0.01 0.53 0.44 -1.51 0.00 0.00 177.39 176.97 1t2s h ASP 27 N 0.10 -1.06 0.67 -1.43 5.19 -1.90 -1.88 116.42 116.12 1t2s h ASP 27 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1t2s h ASP 27 Cb 0.05 0.31 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1t2s h ASP 27 CO 0.00 -0.62 0.00 -1.22 -3.12 0.00 0.00 179.24 174.28 1t2s n TYR 28 N -5.02 0.00 1.18 4.55 4.01 -1.24 -2.36 117.16 118.28 1t2s n TYR 28 Ca -0.12 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.75 1t2s n TYR 28 Cb 0.42 -0.34 0.42 0.00 -0.31 0.00 0.00 39.34 39.52 1t2s n TYR 28 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1t2s n SER 29 N -1.34 0.61 -0.13 7.72 7.64 -1.09 -3.99 113.62 123.03 1t2s n SER 29 Ca 0.12 -0.45 0.14 0.00 1.01 0.00 0.00 58.87 59.69 1t2s n SER 29 Cb 0.26 0.05 0.51 0.00 -1.01 0.00 0.00 64.21 64.02 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 0.52 0.39 -0.26 1.43 9.65 -0.96 0.20 114.38 125.36 1t2s h ARG 30 Ca 0.00 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1t2s h ARG 30 Cb 0.47 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1t2s h ARG 30 CO 0.00 0.26 0.01 -0.09 2.80 0.00 0.00 179.97 182.95 1t2s h ARG 31 N 0.40 0.38 -0.01 0.20 1.12 -1.82 -0.33 114.38 114.32 1t2s h ARG 31 Ca 0.33 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 59.13 1t2s h ARG 31 Cb 0.72 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.62 1t2s h ARG 31 CO -0.10 0.41 -0.44 1.19 -3.11 0.00 0.00 179.97 177.92 1t2s n PHE 32 N -4.34 0.00 0.12 2.20 3.72 0.51 -3.39 117.46 116.29 1t2s n PHE 32 Ca 0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.50 1t2s n PHE 32 Cb 0.20 -0.06 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1t2s n PHE 32 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1t2s h LEU 33 N 1.63 0.00 -0.58 4.37 3.38 0.02 -3.36 115.31 120.77 1t2s h LEU 33 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1t2s h LEU 33 Cb 0.63 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 1t2s h LEU 33 CO 0.00 0.12 -0.30 -0.33 0.09 0.00 0.00 178.44 178.02 1t2s h GLU 34 N 0.00 -0.13 -0.55 1.13 5.08 -1.11 -1.23 114.58 117.77 1t2s h GLU 34 Ca -0.02 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 1t2s h GLU 34 Cb 1.11 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1t2s h GLU 34 CO 0.01 -0.09 0.39 -1.35 -1.00 0.00 0.00 179.01 176.98 1t2s h PRO 35 N -0.14 0.00 0.00 2.33 0.11 -1.78 0.21 132.00 132.73 1t2s h PRO 35 Ca 0.24 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.16 1t2s h PRO 35 Cb 0.54 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 1t2s h PRO 35 CO -0.66 0.00 -1.19 0.35 -0.21 0.00 0.00 178.00 176.28 1t2s h PHE 36 N 0.00 0.00 0.00 0.65 3.57 -1.55 -3.35 116.94 116.26 1t2s h PHE 36 Ca 0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1t2s h PHE 36 Cb 1.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1t2s h PHE 36 CO 0.00 0.75 -0.99 1.28 -2.23 0.00 0.00 178.31 177.12 1t2s n LEU 37 N -3.10 0.68 -4.70 0.59 4.32 0.14 -4.90 117.00 110.03 1t2s n LEU 37 Ca -0.07 0.18 -0.42 0.00 -0.02 0.00 0.00 56.01 55.69 1t2s n LEU 37 Cb 0.89 -0.10 -0.03 0.00 -1.62 0.00 0.00 43.42 42.56 1t2s n LEU 37 CO 0.44 -0.08 1.36 -0.13 -1.22 0.00 0.00 177.39 177.76 1t2s s ARG 38 N -3.28 4.17 -0.02 3.23 0.52 0.49 -3.25 118.95 120.81 1t2s s ARG 38 Ca 0.02 2.49 -0.00 0.00 -0.52 0.00 0.00 55.73 57.71 1t2s s ARG 38 Cb 0.12 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1t2s s ARG 38 CO 0.79 -0.74 0.02 0.41 0.02 0.00 0.00 175.30 175.79 1t2s n GLY 39 N 4.01 0.93 3.67 -3.53 0.00 0.78 -5.02 105.19 106.03 1t2s n GLY 39 Ca 0.16 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.00 2.69 -0.18 -0.61 -4.36 -1.12 -4.93 121.20 109.70 1t2s s ILE 40 Ca 0.01 -1.88 -0.01 0.00 -0.26 0.00 0.00 60.65 58.51 1t2s s ILE 40 Cb -0.00 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.84 1t2s s ILE 40 CO 0.01 -0.17 -0.13 0.54 0.24 0.00 0.00 174.94 175.43 1t2s s ASN 41 N -3.76 3.75 -0.08 4.36 4.22 -1.26 0.34 114.94 122.51 1t2s s ASN 41 Ca 0.36 -0.48 0.04 0.00 -2.14 0.00 0.00 52.86 50.64 1t2s s ASN 41 Cb -0.00 -1.60 -0.01 0.00 1.28 0.00 0.00 41.25 40.92 1t2s s ASN 41 CO 0.20 0.04 -0.22 0.68 -2.04 0.00 0.00 177.10 175.77 1t2s s VAL 42 N 1.09 2.35 -0.44 3.54 -7.23 -0.37 -2.85 120.40 116.50 1t2s s VAL 42 Ca 0.00 -0.95 -0.26 0.00 -1.81 0.00 0.00 61.98 58.97 1t2s s VAL 42 Cb -0.14 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 34.93 1t2s s VAL 42 CO -0.04 0.56 0.94 -0.69 -0.31 0.00 0.00 175.10 175.56 1t2s s VAL 43 N -0.07 4.49 -0.39 1.32 1.01 1.00 -0.17 120.40 127.58 1t2s s VAL 43 Ca -0.05 0.88 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 1t2s s VAL 43 Cb -0.14 -4.42 0.02 0.00 0.00 0.00 0.00 36.38 31.84 1t2s s VAL 43 CO 0.04 -0.77 1.15 -0.47 0.00 0.00 0.00 175.10 175.05 1t2s s TYR 44 N 3.72 2.91 -0.46 5.22 5.04 0.42 -1.87 117.35 132.33 1t2s s TYR 44 Ca 0.38 0.93 -0.15 0.00 -2.44 0.00 0.00 57.07 55.78 1t2s s TYR 44 Cb -0.10 -4.06 0.07 0.00 0.35 0.00 0.00 41.96 38.21 1t2s s TYR 44 CO 0.25 -1.17 0.38 0.95 -1.34 0.00 0.00 175.55 174.62 1t2s s THR 45 N 4.18 5.19 0.15 4.34 -4.23 -0.42 -2.11 115.64 122.74 1t2s s THR 45 Ca 0.49 -1.03 -0.31 0.00 -1.18 0.00 0.00 61.69 59.66 1t2s s THR 45 Cb -0.11 -4.07 -0.10 0.00 1.34 0.00 0.00 72.50 69.56 1t2s s THR 45 CO 0.24 -0.54 1.66 -2.84 -0.54 0.00 0.00 174.62 172.60 1t2s s PRO 46 N 1.64 4.18 0.78 3.99 0.02 -1.26 -4.84 135.00 139.51 1t2s s PRO 46 Ca 0.04 2.45 -0.15 0.00 0.02 0.00 0.00 61.00 63.36 1t2s s PRO 46 Cb -0.24 -3.27 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 1t2s s PRO 46 CO 0.07 -0.70 0.40 -2.30 -0.33 0.00 0.00 177.00 174.14 1t2s n PRO 47 N 4.47 0.13 0.24 5.54 -0.02 -1.26 -4.69 135.00 139.41 1t2s n PRO 47 Ca 0.15 0.08 0.18 0.00 -2.02 0.00 0.00 63.50 61.90 1t2s n PRO 47 Cb 0.38 -1.76 0.88 0.00 -0.02 0.00 0.00 33.50 32.98 1t2s n PRO 47 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1t2s h GLN 48 N -0.67 0.00 0.00 -0.52 3.07 -1.96 0.35 115.11 115.37 1t2s h GLN 48 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1t2s h GLN 48 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 1t2s h GLN 48 CO 0.39 0.00 -0.05 0.43 0.09 0.00 0.00 178.83 179.69 1t2s n SER 49 N -3.49 0.05 -0.01 0.06 7.64 -1.26 -3.66 113.62 112.95 1t2s n SER 49 Ca 0.01 0.42 -0.21 0.00 1.01 0.00 0.00 58.87 60.10 1t2s n SER 49 Cb 0.33 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.97 1t2s n SER 49 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1t2s n PHE 50 N -1.50 1.12 -3.71 1.43 3.01 0.12 -4.94 117.46 112.99 1t2s n PHE 50 Ca 0.07 0.24 -0.24 0.00 1.01 0.00 0.00 57.45 58.53 1t2s n PHE 50 Cb 0.34 -1.14 0.05 0.00 -0.01 0.00 0.00 39.48 38.72 1t2s n PHE 50 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1t2s n GLN 51 N -3.49 -6.19 -4.23 -1.08 6.02 -1.20 -5.00 117.38 102.21 1t2s n GLN 51 Ca -0.34 0.70 -0.28 0.00 -0.01 0.00 0.00 57.00 57.07 1t2s n GLN 51 Cb 1.03 -5.57 -0.09 0.00 1.02 0.00 0.00 30.24 26.63 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 -3.73 4.48 0.10 1.08 0.01 -1.26 -5.10 113.70 109.29 1t2s s SER 52 Ca 0.39 -0.42 -0.31 0.00 1.31 0.00 0.00 55.95 56.92 1t2s s SER 52 Cb -0.18 -0.87 -0.07 0.00 0.21 0.00 0.00 66.02 65.11 1t2s s SER 52 CO 0.79 0.14 1.25 0.00 0.41 0.00 0.00 173.24 175.82 1t2s s ALA 53 N -1.45 3.45 0.24 1.44 0.00 -1.26 -4.53 121.76 119.66 1t2s s ALA 53 Ca 0.24 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 1t2s s ALA 53 Cb -0.10 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1t2s s ALA 53 CO 0.15 -0.47 1.30 -2.14 0.00 0.00 0.00 175.76 174.60 1t2s s PRO 54 N 0.83 4.39 -0.02 0.00 0.02 -1.26 -4.81 135.00 134.15 1t2s s PRO 54 Ca 0.59 2.09 0.03 0.00 0.02 0.00 0.00 61.00 63.73 1t2s s PRO 54 Cb -0.32 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.04 1t2s s PRO 54 CO 0.31 -0.21 -0.10 0.50 -0.33 0.00 0.00 177.00 177.17 1t2s s ARG 55 N -0.66 0.92 0.12 5.54 3.52 -0.90 -4.92 118.95 122.57 1t2s s ARG 55 Ca 0.54 -0.36 -0.24 0.00 -0.13 0.00 0.00 55.73 55.55 1t2s s ARG 55 Cb -0.37 -0.88 -0.07 0.00 -1.56 0.00 0.00 34.95 32.07 1t2s s ARG 55 CO 0.42 0.18 0.72 0.54 -0.81 0.00 0.00 175.30 176.35 1t2s s VAL 56 N -0.07 4.54 -0.02 7.11 0.11 -1.26 -0.43 120.40 130.38 1t2s s VAL 56 Ca 0.01 1.56 0.05 0.00 -2.93 0.00 0.00 61.98 60.67 1t2s s VAL 56 Cb -0.06 -4.07 -0.01 0.00 -1.53 0.00 0.00 36.38 30.71 1t2s s VAL 56 CO -0.00 0.50 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.80 1t2s s TYR 57 N -0.91 1.48 -0.36 1.54 2.02 0.76 -4.93 117.35 116.94 1t2s s TYR 57 Ca 0.34 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.46 1t2s s TYR 57 Cb -0.22 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1t2s s TYR 57 CO 0.24 -0.04 1.21 0.50 -1.57 0.00 0.00 175.55 175.88 1t2s s ARG 58 N -0.32 3.87 -0.24 -0.62 6.06 -1.26 -1.23 118.95 125.21 1t2s s ARG 58 Ca 0.05 0.99 -0.29 0.00 -2.50 0.00 0.00 55.73 53.97 1t2s s ARG 58 Cb -0.07 -3.86 -0.01 0.00 0.06 0.00 0.00 34.95 31.07 1t2s s ARG 58 CO -0.00 -1.18 1.38 0.08 -2.50 0.00 0.00 175.30 173.08 1t2s s VAL 59 N 4.31 4.05 -0.08 7.11 1.01 0.15 -4.22 120.40 132.73 1t2s s VAL 59 Ca 0.52 1.21 0.14 0.00 0.00 0.00 0.00 61.98 63.85 1t2s s VAL 59 Cb -0.13 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 1t2s s VAL 59 CO 0.24 -0.33 1.01 0.78 0.00 0.00 0.00 175.10 176.80 1t2s h ASN 60 N 9.36 0.00 0.00 3.32 4.21 -1.79 0.23 115.58 130.91 1t2s h ASN 60 Ca -0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.23 1t2s h ASN 60 Cb 1.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 1t2s h ASN 60 CO 1.01 0.68 0.00 0.61 -1.29 0.00 0.00 177.43 178.44 1t2s n GLY 61 N 1.37 -0.63 3.26 2.83 0.00 -1.10 -4.39 105.19 106.53 1t2s n GLY 61 Ca -0.07 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 2.28 0.33 0.99 1.43 -1.26 -0.93 118.68 121.52 1t2s s LEU 62 Ca 0.00 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 1t2s s LEU 62 Cb 0.00 -0.83 -0.09 0.00 0.03 0.00 0.00 46.19 45.29 1t2s s LEU 62 CO 0.00 0.05 0.76 -0.44 0.23 0.00 0.00 176.35 176.95 1t2s s SER 63 N -1.80 6.81 0.00 2.29 0.01 0.44 -4.67 113.70 116.79 1t2s s SER 63 Ca 0.05 1.34 0.22 0.00 1.31 0.00 0.00 55.95 58.87 1t2s s SER 63 Cb -0.10 -2.40 1.12 0.00 0.21 0.00 0.00 66.02 64.86 1t2s s SER 63 CO 0.04 -0.21 1.72 0.54 0.41 0.00 0.00 173.24 175.73 1t2s n ARG 64 N -0.34 0.33 -4.62 12.44 3.00 -1.26 -4.14 116.66 122.06 1t2s n ARG 64 Ca 0.04 0.07 -0.23 0.00 -0.01 0.00 0.00 57.85 57.72 1t2s n ARG 64 Cb 0.53 -1.50 -0.16 0.00 0.00 0.00 0.00 32.46 31.33 1t2s n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t2s s ALA 65 N -2.55 1.21 1.07 7.54 0.00 -1.26 -5.03 121.76 122.74 1t2s s ALA 65 Ca 0.21 -0.51 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1t2s s ALA 65 Cb 0.15 -0.43 0.23 0.00 0.00 0.00 0.00 23.12 23.07 1t2s s ALA 65 CO 0.33 0.21 1.07 -2.14 0.00 0.00 0.00 175.76 175.23 1t2s s PRO 66 N 0.14 -0.15 0.50 0.00 0.02 -1.26 -3.02 135.00 131.24 1t2s s PRO 66 Ca -0.04 0.62 0.28 0.00 0.02 0.00 0.00 61.00 61.88 1t2s s PRO 66 Cb -0.10 -1.66 1.23 0.00 0.02 0.00 0.00 34.50 33.98 1t2s s PRO 66 CO 0.01 -3.15 1.95 0.00 -0.33 0.00 0.00 177.00 175.49 1t2s h ALA 67 N -2.20 1.07 -0.01 -1.55 0.00 -1.17 -0.88 119.26 114.52 1t2s h ALA 67 Ca -0.58 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1t2s h ALA 67 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1t2s h ALA 67 CO 0.55 0.17 -0.07 -1.13 0.00 0.00 0.00 179.25 178.77 1t2s n SER 68 N -3.36 1.16 -0.10 0.00 3.41 -1.07 -1.12 113.62 112.55 1t2s n SER 68 Ca -0.00 -1.24 -0.19 0.00 -0.26 0.00 0.00 58.87 57.18 1t2s n SER 68 Cb 0.34 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.22 1.56 -4.77 4.04 7.64 -0.40 -4.95 113.62 116.53 1t2s n SER 69 Ca 0.18 0.27 -0.40 0.00 1.01 0.00 0.00 58.87 59.92 1t2s n SER 69 Cb 0.32 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.46 4.31 0.04 1.43 0.41 -0.81 -4.96 118.70 116.66 1t2s s GLU 70 Ca -0.28 2.02 0.06 0.00 -0.41 0.00 0.00 54.97 56.35 1t2s s GLU 70 Cb 0.09 -2.97 -0.02 0.00 -1.78 0.00 0.00 34.13 29.45 1t2s s GLU 70 CO 0.36 -0.16 -0.16 0.95 -0.49 0.00 0.00 175.26 175.77 1t2s s THR 71 N -1.23 1.27 0.07 3.63 -4.23 -1.26 -2.12 115.64 111.77 1t2s s THR 71 Ca 0.51 -1.08 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1t2s s THR 71 Cb -0.35 -1.14 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 1t2s s THR 71 CO 0.46 0.04 -0.14 0.72 -0.54 0.00 0.00 174.62 175.16 1t2s s PHE 72 N -0.87 1.22 -0.38 3.99 -0.71 -0.15 -4.88 117.98 116.19 1t2s s PHE 72 Ca 0.03 -0.44 -0.24 0.00 -1.04 0.00 0.00 56.93 55.24 1t2s s PHE 72 Cb -0.08 -0.69 0.01 0.00 -1.21 0.00 0.00 43.02 41.05 1t2s s PHE 72 CO 0.02 0.06 0.84 -2.00 -1.34 0.00 0.00 175.22 172.80 1t2s s GLU 73 N -1.65 3.74 -0.04 1.99 2.12 -1.26 -1.33 118.70 122.28 1t2s s GLU 73 Ca -0.01 0.36 -0.00 0.00 0.36 0.00 0.00 54.97 55.67 1t2s s GLU 73 Cb -0.10 -3.83 0.03 0.00 0.26 0.00 0.00 34.13 30.49 1t2s s GLU 73 CO 0.02 -0.94 0.01 -1.58 -0.54 0.00 0.00 175.26 172.24 1t2s s HIS 74 N 3.30 0.29 -0.90 5.30 2.46 0.76 -4.74 115.29 121.75 1t2s s HIS 74 Ca 0.34 0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.90 1t2s s HIS 74 Cb -0.12 -0.45 0.00 0.00 -0.13 0.00 0.00 32.58 31.87 1t2s s HIS 74 CO 0.19 -0.16 0.00 -3.47 -2.47 0.00 0.00 174.74 168.83 1t2s n ASP 75 N 4.46 -4.37 0.00 9.88 2.03 -1.26 -1.14 116.55 126.15 1t2s n ASP 75 Ca -0.20 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1t2s n ASP 75 Cb 0.50 -2.61 0.00 0.00 -0.72 0.00 0.00 41.12 38.29 1t2s n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t2s n GLY 76 N -1.49 1.48 3.74 0.27 0.00 -1.26 -5.01 105.19 102.91 1t2s n GLY 76 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.13 3.91 -0.80 1.61 -0.14 -0.30 -5.03 119.74 118.88 1t2s s LYS 77 Ca 0.00 -0.24 -0.22 0.00 -1.36 0.00 0.00 55.97 54.15 1t2s s LYS 77 Cb 0.00 -3.29 0.08 0.00 -1.68 0.00 0.00 37.83 32.94 1t2s s LYS 77 CO 0.00 0.42 1.12 0.15 -0.76 0.00 0.00 175.35 176.27 1t2s s LYS 78 N -0.00 3.33 0.03 1.68 1.02 -1.26 -0.17 119.74 124.36 1t2s s LYS 78 Ca 0.09 -1.07 -0.05 0.00 0.02 0.00 0.00 55.97 54.96 1t2s s LYS 78 Cb -0.12 -4.58 -0.05 0.00 -0.52 0.00 0.00 37.83 32.57 1t2s s LYS 78 CO 0.00 -1.90 0.27 0.14 -0.92 0.00 0.00 175.35 172.94 1t2s s VAL 79 N 4.00 5.31 0.55 3.17 -7.23 -0.44 -4.74 120.40 121.01 1t2s s VAL 79 Ca 0.30 0.02 -0.16 0.00 -1.81 0.00 0.00 61.98 60.33 1t2s s VAL 79 Cb -0.10 -3.58 -0.06 0.00 0.56 0.00 0.00 36.38 33.20 1t2s s VAL 79 CO 0.02 0.27 1.01 0.42 -0.31 0.00 0.00 175.10 176.52 1t2s s THR 80 N -1.39 4.28 0.19 5.32 -4.23 -1.26 -0.98 115.64 117.57 1t2s s THR 80 Ca 0.31 1.07 -0.12 0.00 -1.18 0.00 0.00 61.69 61.76 1t2s s THR 80 Cb -0.13 -3.60 0.13 0.00 1.34 0.00 0.00 72.50 70.23 1t2s s THR 80 CO 0.20 -0.65 1.71 0.40 -0.54 0.00 0.00 174.62 175.74 1t2s h ILE 81 N 0.67 0.68 -0.96 2.99 1.08 -0.76 -1.44 117.51 119.77 1t2s h ILE 81 Ca -0.47 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1t2s h ILE 81 Cb 1.20 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.34 1t2s h ILE 81 CO 0.60 0.04 0.63 0.00 -0.69 0.00 0.00 178.15 178.73 1t2s h ALA 82 N 1.42 1.25 -0.30 1.87 0.00 -1.43 -2.40 119.26 119.67 1t2s h ALA 82 Ca 0.27 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1t2s h ALA 82 Cb 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1t2s h ALA 82 CO -0.36 0.55 -0.31 0.77 0.00 0.00 0.00 179.25 179.90 1t2s h SER 83 N 1.25 0.66 -0.50 0.00 0.02 -1.56 -1.45 113.55 111.97 1t2s h SER 83 Ca 0.37 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1t2s h SER 83 Cb -0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1t2s h SER 83 CO -0.10 0.93 0.17 0.22 -1.14 0.00 0.00 176.83 176.91 1t2s h TYR 84 N 0.55 0.79 -0.54 3.45 3.20 -0.83 0.25 116.97 123.84 1t2s h TYR 84 Ca 0.06 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 1t2s h TYR 84 Cb 0.81 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1t2s h TYR 84 CO 0.04 0.68 -0.05 0.74 -1.64 0.00 0.00 178.16 177.93 1t2s h PHE 85 N 0.68 1.07 -0.54 -3.82 -1.00 -1.39 -1.24 116.94 110.69 1t2s h PHE 85 Ca 0.16 -0.19 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 1t2s h PHE 85 Cb 0.25 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1t2s h PHE 85 CO 0.01 0.98 0.09 1.25 -1.61 0.00 0.00 178.31 179.03 1t2s h HIS 86 N 0.88 0.88 -0.02 -0.55 2.76 -0.79 -0.74 115.15 117.57 1t2s h HIS 86 Ca 0.15 -0.10 -0.10 0.00 -2.20 0.00 0.00 60.37 58.12 1t2s h HIS 86 Cb 0.59 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 1t2s h HIS 86 CO 0.04 0.76 -0.48 1.03 -1.30 0.00 0.00 177.93 177.98 1t2s h SER 87 N 0.81 0.06 0.00 3.26 0.87 -0.22 -0.75 113.55 117.57 1t2s h SER 87 Ca 0.17 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1t2s h SER 87 Cb 0.35 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1t2s h SER 87 CO 0.01 0.53 0.00 0.54 -0.53 0.00 0.00 176.83 177.37 1t2s n ARG 88 N -3.97 0.75 -2.51 2.24 5.12 -0.49 -4.85 116.66 112.94 1t2s n ARG 88 Ca -0.02 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.84 1t2s n ARG 88 Cb 0.50 -1.30 0.03 0.00 -1.16 0.00 0.00 32.46 30.54 1t2s n ARG 88 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1t2s n ASN 89 N -0.80 -2.05 -3.34 0.55 5.15 -0.29 -4.64 115.26 109.84 1t2s n ASN 89 Ca 0.11 -0.22 -0.12 0.00 -0.60 0.00 0.00 54.58 53.74 1t2s n ASN 89 Cb 0.05 -2.17 -0.07 0.00 -0.53 0.00 0.00 39.78 37.06 1t2s n ASN 89 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1t2s s TYR 90 N -3.13 -0.80 -0.14 1.20 5.04 -0.36 -4.75 117.35 114.41 1t2s s TYR 90 Ca 0.00 0.17 -0.29 0.00 -2.44 0.00 0.00 57.07 54.50 1t2s s TYR 90 Cb -0.00 -0.26 -0.02 0.00 0.35 0.00 0.00 41.96 42.03 1t2s s TYR 90 CO 0.26 -0.95 1.27 -1.25 -1.34 0.00 0.00 175.55 173.54 1t2s s PRO 91 N 2.48 4.25 0.09 4.97 0.04 -1.26 -2.71 135.00 142.86 1t2s s PRO 91 Ca 0.10 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 1t2s s PRO 91 Cb -0.13 -3.73 -0.07 0.00 0.04 0.00 0.00 34.50 30.60 1t2s s PRO 91 CO -0.30 -0.67 1.37 -0.51 0.04 0.00 0.00 177.00 176.93 1t2s s LEU 92 N 3.29 4.36 0.27 -3.56 1.43 -1.26 -4.91 118.68 118.30 1t2s s LEU 92 Ca 0.55 2.25 0.13 0.00 -1.03 0.00 0.00 54.13 56.04 1t2s s LEU 92 Cb -0.23 -3.58 0.28 0.00 0.03 0.00 0.00 46.19 42.70 1t2s s LEU 92 CO 0.16 -0.64 1.55 0.11 0.23 0.00 0.00 176.35 177.76 1t2s h LYS 93 N 7.01 0.00 -1.72 1.70 1.57 -2.02 -3.37 116.57 119.75 1t2s h LYS 93 Ca -0.41 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.87 1t2s h LYS 93 Cb 1.20 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.16 1t2s h LYS 93 CO 0.86 0.60 -1.04 1.97 -0.57 0.00 0.00 179.45 181.28 1t2s n PHE 94 N -3.50 -0.70 0.74 -1.35 1.16 -1.26 -4.84 117.46 107.71 1t2s n PHE 94 Ca 0.00 -3.35 0.09 0.00 -1.87 0.00 0.00 57.45 52.31 1t2s n PHE 94 Cb 0.67 -0.09 0.42 0.00 -1.61 0.00 0.00 39.48 38.87 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 1.25 0.13 0.00 3.97 -0.04 -1.26 -2.49 135.00 136.56 1t2s n PRO 95 Ca 0.20 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.96 1t2s n PRO 95 Cb 0.56 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 33.18 1t2s n PRO 95 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1t2s n GLN 96 N -1.40 0.52 -2.23 0.54 -0.06 -1.26 -1.12 117.38 112.37 1t2s n GLN 96 Ca 0.06 -0.11 -0.42 0.00 -2.00 0.00 0.00 57.00 54.53 1t2s n GLN 96 Cb 0.18 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.83 1t2s n GLN 96 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1t2s s LEU 97 N -2.56 4.35 0.08 1.69 1.43 -1.04 -4.68 118.68 117.96 1t2s s LEU 97 Ca 0.27 2.19 -0.36 0.00 -1.03 0.00 0.00 54.13 55.21 1t2s s LEU 97 Cb 0.20 -3.57 -0.15 0.00 0.03 0.00 0.00 46.19 42.69 1t2s s LEU 97 CO 0.48 -0.65 1.51 1.41 0.23 0.00 0.00 176.35 179.33 1t2s n HIS 98 N 4.51 1.94 -1.95 0.29 8.25 -1.26 -3.57 115.22 123.42 1t2s n HIS 98 Ca 0.12 0.42 -0.38 0.00 -0.26 0.00 0.00 57.72 57.62 1t2s n HIS 98 Cb 0.43 -2.46 0.03 0.00 1.12 0.00 0.00 29.99 29.11 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 -3.46 4.30 -0.72 0.00 2.96 0.76 -0.42 118.68 122.10 1t2s s LEU 100 Ca 0.70 1.93 -0.20 0.00 -0.22 0.00 0.00 54.13 56.34 1t2s s LEU 100 Cb -0.36 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 42.87 1t2s s LEU 100 CO 0.42 -0.62 0.93 0.21 -1.32 0.00 0.00 176.35 175.97 1t2s s ASN 101 N 1.58 6.32 0.00 3.68 3.84 -0.11 -2.41 114.94 127.84 1t2s s ASN 101 Ca 0.59 -1.45 0.00 0.00 0.21 0.00 0.00 52.86 52.20 1t2s s ASN 101 Cb -0.27 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1t2s s ASN 101 CO 0.24 -1.22 0.00 1.33 -2.79 0.00 0.00 177.10 174.65 1t2s n VAL 102 N 5.64 0.00 0.00 -5.21 0.24 -1.05 -2.49 118.33 115.46 1t2s n VAL 102 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1t2s n VAL 102 Cb 0.46 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 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 1.58 2.18 3.33 7.63 0.00 -1.26 -1.43 105.19 117.22 1t2s n GLY 103 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 1t2s n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t2s s SER 104 N -3.16 -0.29 0.30 1.61 0.15 -0.40 -4.87 113.70 107.04 1t2s s SER 104 Ca 0.00 -0.17 0.16 0.00 0.70 0.00 0.00 55.95 56.64 1t2s s SER 104 Cb 0.00 0.47 0.14 0.00 -1.71 0.00 0.00 66.02 64.92 1t2s s SER 104 CO 0.00 -0.81 1.48 0.77 1.20 0.00 0.00 173.24 175.88 1t2s h SER 105 N 2.52 0.00 0.30 5.45 4.64 -1.97 -2.80 113.55 121.69 1t2s h SER 105 Ca -0.33 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.91 1t2s h SER 105 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1t2s h SER 105 CO 0.45 0.44 -1.77 2.30 -0.87 0.00 0.00 176.83 177.38 1t2s n ILE 106 N -3.22 0.50 -3.73 0.95 -5.35 -1.26 -4.63 119.36 102.62 1t2s n ILE 106 Ca 0.02 -0.59 -0.29 0.00 -0.27 0.00 0.00 62.75 61.63 1t2s n ILE 106 Cb 0.70 -0.24 -0.12 0.00 -1.74 0.00 0.00 39.64 38.24 1t2s n ILE 106 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1t2s s LYS 107 N -3.26 1.63 0.07 6.28 2.20 -1.22 -5.10 119.74 120.35 1t2s s LYS 107 Ca -0.06 -2.48 -0.26 0.00 -0.36 0.00 0.00 55.97 52.80 1t2s s LYS 107 Cb 0.11 -2.58 -0.06 0.00 -1.51 0.00 0.00 37.83 33.79 1t2s s LYS 107 CO 0.86 -1.24 0.82 -1.12 -0.36 0.00 0.00 175.35 174.31 1t2s s SER 108 N -0.30 7.30 -0.06 1.43 0.01 -1.06 -1.28 113.70 119.74 1t2s s SER 108 Ca 0.23 1.56 0.04 0.00 1.31 0.00 0.00 55.95 59.09 1t2s s SER 108 Cb -0.13 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1t2s s SER 108 CO -0.09 0.01 -0.19 0.27 0.41 0.00 0.00 173.24 173.65 1t2s s ILE 109 N -0.12 2.61 -0.27 1.44 -4.36 -0.52 -4.94 121.20 115.03 1t2s s ILE 109 Ca 0.41 -0.88 -0.11 0.00 -0.26 0.00 0.00 60.65 59.81 1t2s s ILE 109 Cb -0.21 -2.00 -0.05 0.00 1.25 0.00 0.00 42.46 41.45 1t2s s ILE 109 CO 0.25 0.57 0.18 -0.76 0.24 0.00 0.00 174.94 175.42 1t2s s LEU 110 N -0.38 4.00 -0.02 0.37 1.02 -1.26 -2.54 118.68 119.87 1t2s s LEU 110 Ca 0.03 -0.00 0.04 0.00 0.02 0.00 0.00 54.13 54.22 1t2s s LEU 110 Cb -0.12 -2.11 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 1t2s s LEU 110 CO 0.02 -0.03 -0.14 -0.76 0.02 0.00 0.00 176.35 175.46 1t2s s LEU 111 N 1.63 1.95 -0.17 1.79 1.43 -1.01 -4.85 118.68 119.45 1t2s s LEU 111 Ca 0.07 -0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 1t2s s LEU 111 Cb -0.16 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 1t2s s LEU 111 CO 0.10 0.15 2.16 -2.16 0.23 0.00 0.00 176.35 176.82 1t2s s PRO 112 N -0.14 3.32 0.65 1.29 0.04 -1.26 -0.17 135.00 138.73 1t2s s PRO 112 Ca 0.01 2.12 0.35 0.00 0.04 0.00 0.00 61.00 63.53 1t2s s PRO 112 Cb -0.08 -4.33 1.95 0.00 0.04 0.00 0.00 34.50 32.09 1t2s s PRO 112 CO 0.00 -1.89 2.14 0.97 0.04 0.00 0.00 177.00 178.27 1t2s h ILE 113 N 6.85 0.12 -0.95 0.56 2.10 -1.91 0.16 117.51 124.44 1t2s h ILE 113 Ca -0.42 0.00 0.19 0.00 1.08 0.00 0.00 64.86 65.70 1t2s h ILE 113 Cb 1.24 0.84 -0.08 0.00 -1.09 0.00 0.00 36.82 37.72 1t2s h ILE 113 CO 0.96 0.00 0.61 -0.08 -1.08 0.00 0.00 178.15 178.56 1t2s h GLU 114 N 0.00 0.60 -0.36 2.19 4.57 -1.94 -1.16 114.58 118.48 1t2s h GLU 114 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1t2s h GLU 114 Cb 0.37 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1t2s h GLU 114 CO -0.00 0.39 0.00 1.28 -1.18 0.00 0.00 179.01 179.50 1t2s n LEU 115 N -4.62 3.20 -4.90 1.64 4.77 0.55 -4.59 117.00 113.06 1t2s n LEU 115 Ca 0.21 -1.38 -0.34 0.00 -0.03 0.00 0.00 56.01 54.47 1t2s n LEU 115 Cb 0.61 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1t2s n LEU 115 CO 0.27 0.69 -0.16 0.00 -1.33 0.00 0.00 177.39 176.86 1t2s s SER 117 N -1.65 0.92 -0.01 0.00 0.15 -0.78 -0.55 113.70 111.77 1t2s s SER 117 Ca 0.24 -0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.45 1t2s s SER 117 Cb -0.12 -0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 1t2s s SER 117 CO 0.14 0.03 1.11 -0.63 1.20 0.00 0.00 173.24 175.09 1t2s s ILE 118 N 0.29 4.44 0.22 6.45 1.01 0.82 -0.00 121.20 134.43 1t2s s ILE 118 Ca -0.04 1.75 -0.30 0.00 0.00 0.00 0.00 60.65 62.06 1t2s s ILE 118 Cb -0.08 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 1t2s s ILE 118 CO 0.00 0.08 1.05 -0.70 0.00 0.00 0.00 174.94 175.37 1t2s s GLU 119 N 1.53 4.68 0.65 2.79 2.12 -1.13 -2.00 118.70 127.33 1t2s s GLU 119 Ca 0.54 1.68 0.39 0.00 0.36 0.00 0.00 54.97 57.94 1t2s s GLU 119 Cb -0.24 -3.25 2.18 0.00 0.26 0.00 0.00 34.13 33.07 1t2s s GLU 119 CO 0.25 0.24 2.29 1.05 -0.54 0.00 0.00 175.26 178.55 1t2s h GLU 120 N 4.45 0.00 -0.00 4.30 4.11 -1.93 -1.30 114.58 124.21 1t2s h GLU 120 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 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 0.69 0.00 -0.14 0.41 0.07 0.00 0.00 179.01 180.05 1t2s n GLY 121 N -1.17 -1.38 0.10 1.06 0.00 -1.26 -3.55 105.19 98.99 1t2s n GLY 121 Ca -0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1t2s n GLY 121 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1t2s h GLN 122 N 0.05 0.18 -0.00 1.61 5.75 -1.59 -3.52 115.11 117.58 1t2s h GLN 122 Ca 0.00 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.18 1t2s h GLN 122 Cb 0.48 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1t2s h GLN 122 CO 0.00 1.04 0.00 0.00 -2.65 0.00 0.00 178.83 177.22