#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 -2.10 -0.91 4.61 0.00 -1.26 -4.96 121.76 117.14 1t2s s ALA 2 Ca 0.00 1.78 -0.23 0.00 0.00 0.00 0.00 51.96 53.51 1t2s s ALA 2 Cb 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 23.12 22.34 1t2s s ALA 2 CO 0.00 -0.40 1.31 1.41 0.00 0.00 0.00 175.76 178.08 1t2s s MET 3 N -1.59 3.46 -0.47 0.00 -2.45 -1.26 -4.94 119.30 112.04 1t2s s MET 3 Ca 0.08 -1.03 -0.28 0.00 -1.25 0.00 0.00 55.69 53.22 1t2s s MET 3 Cb -0.01 -4.93 -0.00 0.00 1.25 0.00 0.00 34.83 31.14 1t2s s MET 3 CO -0.05 -2.08 1.57 0.00 1.05 0.00 0.00 175.02 175.51 1t2s s ALA 4 N 4.64 2.79 -0.24 4.11 0.00 -1.26 -4.13 121.76 127.67 1t2s s ALA 4 Ca 0.39 -0.31 -0.22 0.00 0.00 0.00 0.00 51.96 51.81 1t2s s ALA 4 Cb -0.04 -4.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.00 1t2s s ALA 4 CO -0.03 -2.86 0.73 -1.64 0.00 0.00 0.00 175.76 171.96 1t2s s MET 5 N 5.62 4.15 0.00 0.00 -1.94 0.56 -4.78 119.30 122.92 1t2s s MET 5 Ca 0.63 0.75 -0.37 0.00 -1.71 0.00 0.00 55.69 54.99 1t2s s MET 5 Cb -0.14 -3.64 -0.16 0.00 2.01 0.00 0.00 34.83 32.89 1t2s s MET 5 CO 0.28 -0.46 1.45 -2.30 -0.01 0.00 0.00 175.02 173.99 1t2s n PRO 6 N 5.82 1.21 -0.04 2.03 -0.02 -1.26 -0.31 135.00 142.43 1t2s n PRO 6 Ca 0.02 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1t2s n PRO 6 Cb 0.48 -2.10 0.45 0.00 -0.02 0.00 0.00 33.50 32.32 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 5.31 0.49 -0.42 -0.52 2.86 -1.64 0.23 114.93 121.24 1t2s h MET 7 Ca -0.47 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.06 1t2s h MET 7 Cb 1.33 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1t2s h MET 7 CO 0.83 0.32 -0.05 0.82 1.06 0.00 0.00 176.91 179.89 1t2s h ILE 8 N 0.50 1.27 -0.10 -1.22 1.08 -1.82 -1.96 117.51 115.26 1t2s h ILE 8 Ca 0.21 -1.12 -0.12 0.00 -0.39 0.00 0.00 64.86 63.43 1t2s h ILE 8 Cb 0.19 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1t2s h ILE 8 CO -0.05 0.38 -0.48 -0.08 -0.69 0.00 0.00 178.15 177.23 1t2s h GLU 9 N 0.61 0.24 -0.67 2.37 4.81 -1.40 -1.65 114.58 118.88 1t2s h GLU 9 Ca 0.11 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1t2s h GLU 9 Cb 0.56 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1t2s h GLU 9 CO 0.03 0.67 0.42 -0.92 -0.73 0.00 0.00 179.01 178.48 1t2s h TYR 10 N 0.20 0.88 -0.77 0.92 3.20 -0.45 -1.23 116.97 119.71 1t2s h TYR 10 Ca 0.01 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1t2s h TYR 10 Cb 0.92 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 1t2s h TYR 10 CO 0.02 0.58 0.27 -0.07 -1.64 0.00 0.00 178.16 177.32 1t2s h LEU 11 N 0.92 1.09 0.11 2.82 4.07 -1.01 0.18 115.31 123.48 1t2s h LEU 11 Ca 0.24 -0.19 0.01 0.00 0.08 0.00 0.00 57.88 58.03 1t2s h LEU 11 Cb -0.05 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.38 1t2s h LEU 11 CO -0.05 0.99 -0.19 -0.33 -1.08 0.00 0.00 178.44 177.78 1t2s h GLU 12 N 1.13 -0.35 0.13 1.13 5.08 -0.56 0.60 114.58 121.74 1t2s h GLU 12 Ca 0.25 0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.46 1t2s h GLU 12 Cb 0.26 0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.61 1t2s h GLU 12 CO -0.01 -0.23 -0.78 0.00 -1.00 0.00 0.00 179.01 176.99 1t2s h ARG 13 N -0.36 0.30 0.00 2.33 3.08 -1.17 -1.32 114.38 117.24 1t2s h ARG 13 Ca 0.02 -0.50 -0.41 0.00 0.07 0.00 0.00 59.98 59.17 1t2s h ARG 13 Cb 0.38 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 1t2s h ARG 13 CO -0.10 1.23 -2.35 1.19 -1.07 0.00 0.00 179.97 178.87 1t2s n PHE 14 N -4.14 0.00 -0.04 3.04 3.72 0.04 -4.36 117.46 115.72 1t2s n PHE 14 Ca -0.13 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.15 1t2s n PHE 14 Cb 0.80 -0.91 -0.10 0.00 -0.94 0.00 0.00 39.48 38.33 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 -0.95 -0.03 0.00 4.37 0.87 -1.33 -3.39 113.55 113.09 1t2s h SER 15 Ca -0.61 -0.71 -0.04 0.00 -1.23 0.00 0.00 61.79 59.20 1t2s h SER 15 Cb 1.53 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 1t2s h SER 15 CO -0.37 0.78 -1.88 0.18 -0.53 0.00 0.00 176.83 175.01 1t2s n LEU 16 N -4.71 0.00 -0.46 2.23 4.77 0.21 -4.97 117.00 114.08 1t2s n LEU 16 Ca -0.08 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.84 1t2s n LEU 16 Cb 0.35 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1t2s n LEU 16 CO 0.28 0.05 -0.06 0.29 -1.33 0.00 0.00 177.39 176.62 1t2s n LYS 17 N -2.20 -0.93 -3.87 3.23 4.76 -0.78 -4.98 118.16 113.39 1t2s n LYS 17 Ca -0.06 0.60 -0.11 0.00 -2.87 0.00 0.00 58.31 55.86 1t2s n LYS 17 Cb 0.55 -4.50 -0.10 0.00 -1.84 0.00 0.00 35.03 29.14 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 -1.96 -0.32 0.17 7.82 0.00 -0.57 -4.94 121.76 121.96 1t2s s ALA 18 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 1t2s s ALA 18 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 23.12 23.09 1t2s s ALA 18 CO 0.00 -0.18 1.23 0.21 0.00 0.00 0.00 175.76 177.01 1t2s s LYS 19 N -1.15 4.46 0.18 0.00 2.20 -1.26 -3.92 119.74 120.25 1t2s s LYS 19 Ca -0.12 1.91 -0.30 0.00 -0.36 0.00 0.00 55.97 57.09 1t2s s LYS 19 Cb -0.07 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 32.94 1t2s s LYS 19 CO 0.01 -0.15 0.95 0.42 -0.36 0.00 0.00 175.35 176.22 1t2s s ILE 20 N 0.13 4.26 0.00 5.43 1.01 -1.26 -4.88 121.20 125.88 1t2s s ILE 20 Ca 0.55 2.08 0.00 0.00 0.00 0.00 0.00 60.65 63.28 1t2s s ILE 20 Cb -0.33 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 37.81 1t2s s ILE 20 CO 0.36 0.42 0.00 -0.46 0.00 0.00 0.00 174.94 175.26 1t2s n ASN 21 N 2.05 0.00 0.23 3.58 6.94 -1.26 -5.00 115.26 121.80 1t2s n ASN 21 Ca -0.00 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.67 1t2s n ASN 21 Cb 0.48 0.00 0.45 0.00 -2.36 0.00 0.00 39.78 38.35 1t2s n ASN 21 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1t2s h ASN 22 N 0.00 0.00 0.72 0.53 -1.07 -1.95 -3.17 115.58 110.64 1t2s h ASN 22 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 1t2s h ASN 22 Cb 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 1t2s h ASN 22 CO 0.00 0.16 -1.40 0.71 0.07 0.00 0.00 177.43 176.97 1t2s h THR 23 N 0.00 0.72 -2.60 6.14 1.35 -1.97 -3.45 112.91 113.10 1t2s h THR 23 Ca -0.00 -2.32 -0.54 0.00 -0.55 0.00 0.00 66.41 62.99 1t2s h THR 23 Cb 0.76 2.24 -0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1t2s h THR 23 CO 0.02 0.41 1.09 0.42 -0.25 0.00 0.00 175.52 177.20 1t2s s THR 24 N -2.81 3.45 -0.90 6.82 -4.23 -1.20 -4.91 115.64 111.86 1t2s s THR 24 Ca -0.03 0.61 -0.20 0.00 -1.18 0.00 0.00 61.69 60.89 1t2s s THR 24 Cb 0.08 -3.39 0.11 0.00 1.34 0.00 0.00 72.50 70.64 1t2s s THR 24 CO 0.81 -0.05 1.15 0.20 -0.54 0.00 0.00 174.62 176.19 1t2s s ASN 25 N 3.31 6.53 0.44 3.99 -0.87 -1.26 -4.75 114.94 122.33 1t2s s ASN 25 Ca 0.75 -1.78 0.25 0.00 -1.57 0.00 0.00 52.86 50.51 1t2s s ASN 25 Cb -0.35 -2.43 0.58 0.00 -0.02 0.00 0.00 41.25 39.04 1t2s s ASN 25 CO 0.31 -1.19 1.70 -0.07 -2.57 0.00 0.00 177.10 175.27 1t2s h LEU 26 N 10.93 0.00 -0.73 0.60 4.07 -1.93 -3.27 115.31 124.98 1t2s h LEU 26 Ca 0.09 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.95 1t2s h LEU 26 Cb 1.03 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 1t2s h LEU 26 CO 1.17 0.00 -0.10 -2.24 -1.08 0.00 0.00 178.44 176.18 1t2s h ASP 27 N 0.00 0.86 1.46 -0.43 2.03 -1.86 0.56 116.42 119.04 1t2s h ASP 27 Ca 0.00 -0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1t2s h ASP 27 Cb 0.88 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1t2s h ASP 27 CO 0.00 0.98 -0.24 1.88 -1.03 0.00 0.00 179.24 180.83 1t2s h TYR 28 N 0.78 0.00 0.00 4.15 0.05 -1.89 -3.37 116.97 116.69 1t2s h TYR 28 Ca 0.13 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 1t2s h TYR 28 Cb 0.62 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1t2s h TYR 28 CO 0.04 0.00 -1.49 0.43 -1.05 0.00 0.00 178.16 176.09 1t2s n SER 29 N -2.54 2.84 -0.29 3.88 7.64 -0.99 -4.72 113.62 119.43 1t2s n SER 29 Ca 0.04 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.01 1t2s n SER 29 Cb 0.48 1.20 0.25 0.00 -1.01 0.00 0.00 64.21 65.13 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 0.47 0.00 1.43 9.65 -0.05 0.90 114.38 126.79 1t2s h ARG 30 Ca -0.08 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1t2s h ARG 30 Cb 0.79 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1t2s h ARG 30 CO 0.00 0.31 0.00 0.07 2.80 0.00 0.00 179.97 183.16 1t2s h ARG 31 N 0.49 0.00 -0.01 0.20 -0.00 -1.84 -1.80 114.38 111.42 1t2s h ARG 31 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.47 1t2s h ARG 31 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.79 1t2s h ARG 31 CO -0.44 0.00 -0.67 1.97 -0.00 0.00 0.00 179.97 180.83 1t2s n PHE 32 N -2.48 0.00 0.90 4.08 1.16 0.22 -3.28 117.46 118.06 1t2s n PHE 32 Ca 0.04 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.74 1t2s n PHE 32 Cb 0.36 -0.05 0.30 0.00 -1.61 0.00 0.00 39.48 38.48 1t2s n PHE 32 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1t2s n LEU 33 N -0.93 0.46 -0.11 5.98 4.77 -0.65 -3.97 117.00 122.55 1t2s n LEU 33 Ca 0.07 0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 1t2s n LEU 33 Cb 0.38 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1t2s n LEU 33 CO 0.35 0.06 0.69 -0.33 -1.33 0.00 0.00 177.39 176.83 1t2s h GLU 34 N 0.00 -0.17 -0.68 3.23 5.08 -1.42 -1.16 114.58 119.46 1t2s h GLU 34 Ca 0.00 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.55 1t2s h GLU 34 Cb 0.56 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1t2s h GLU 34 CO 0.00 -0.11 0.48 -1.35 -1.00 0.00 0.00 179.01 177.02 1t2s h PRO 35 N -0.18 0.12 0.00 2.33 0.11 -1.79 0.24 132.00 132.83 1t2s h PRO 35 Ca 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1t2s h PRO 35 Cb 0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1t2s h PRO 35 CO -0.49 0.08 -0.36 0.35 -0.21 0.00 0.00 178.00 177.37 1t2s h PHE 36 N 0.12 0.00 -0.01 0.65 3.57 -1.54 -3.29 116.94 116.44 1t2s h PHE 36 Ca 0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1t2s h PHE 36 Cb 1.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1t2s h PHE 36 CO -0.00 0.10 -0.52 1.28 -2.23 0.00 0.00 178.31 176.94 1t2s n LEU 37 N -3.01 1.93 -4.65 0.59 4.32 0.64 -4.94 117.00 111.88 1t2s n LEU 37 Ca 0.02 -0.74 -0.43 0.00 -0.02 0.00 0.00 56.01 54.85 1t2s n LEU 37 Cb 0.58 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.35 1t2s n LEU 37 CO 0.37 0.37 1.32 -0.13 -1.22 0.00 0.00 177.39 178.09 1t2s s ARG 38 N -2.50 4.10 0.00 3.23 0.52 0.02 -3.18 118.95 121.14 1t2s s ARG 38 Ca 0.17 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.36 1t2s s ARG 38 Cb 0.18 -3.96 0.00 0.00 0.52 0.00 0.00 34.95 31.69 1t2s s ARG 38 CO 0.59 -0.93 0.00 0.41 0.02 0.00 0.00 175.30 175.39 1t2s n GLY 39 N 4.17 0.80 3.94 -3.53 0.00 0.94 -5.02 105.19 106.48 1t2s n GLY 39 Ca 0.17 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 2.59 -0.14 -0.61 -4.36 -1.08 -4.87 121.20 110.72 1t2s s ILE 40 Ca 0.00 -1.22 0.01 0.00 -0.26 0.00 0.00 60.65 59.18 1t2s s ILE 40 Cb 0.00 -2.81 0.02 0.00 1.25 0.00 0.00 42.46 40.92 1t2s s ILE 40 CO 0.00 0.00 -0.15 0.20 0.24 0.00 0.00 174.94 175.23 1t2s s ASN 41 N -4.28 2.65 -0.05 4.36 -0.87 -1.26 0.05 114.94 115.55 1t2s s ASN 41 Ca 0.50 -0.48 0.04 0.00 -1.57 0.00 0.00 52.86 51.35 1t2s s ASN 41 Cb -0.05 -1.18 -0.00 0.00 -0.02 0.00 0.00 41.25 40.00 1t2s s ASN 41 CO 0.30 -0.03 -0.16 0.68 -2.57 0.00 0.00 177.10 175.32 1t2s s VAL 42 N 1.31 1.34 -0.30 1.60 -7.23 0.03 -2.52 120.40 114.63 1t2s s VAL 42 Ca 0.01 -0.66 -0.27 0.00 -1.81 0.00 0.00 61.98 59.26 1t2s s VAL 42 Cb -0.13 -1.16 0.01 0.00 0.56 0.00 0.00 36.38 35.65 1t2s s VAL 42 CO -0.08 0.39 0.96 -0.69 -0.31 0.00 0.00 175.10 175.37 1t2s s VAL 43 N 0.14 4.65 -0.28 1.32 1.01 0.11 -0.15 120.40 127.20 1t2s s VAL 43 Ca -0.05 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.20 1t2s s VAL 43 Cb -0.12 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.98 1t2s s VAL 43 CO 0.02 -0.35 1.08 -0.47 0.00 0.00 0.00 175.10 175.39 1t2s s TYR 44 N 3.31 3.18 -0.39 5.22 5.04 0.70 -1.80 117.35 132.60 1t2s s TYR 44 Ca 0.40 1.28 -0.10 0.00 -2.44 0.00 0.00 57.07 56.21 1t2s s TYR 44 Cb -0.13 -3.53 0.05 0.00 0.35 0.00 0.00 41.96 38.70 1t2s s TYR 44 CO 0.13 -0.75 0.23 0.95 -1.34 0.00 0.00 175.55 174.76 1t2s s THR 45 N 3.51 4.37 0.02 4.34 -4.23 0.27 -2.20 115.64 121.71 1t2s s THR 45 Ca 0.46 -1.14 -0.30 0.00 -1.18 0.00 0.00 61.69 59.53 1t2s s THR 45 Cb -0.14 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.10 1t2s s THR 45 CO 0.12 -0.37 1.22 -2.84 -0.54 0.00 0.00 174.62 172.21 1t2s s PRO 46 N 1.48 4.39 0.77 3.99 0.02 -1.26 -4.83 135.00 139.57 1t2s s PRO 46 Ca 0.02 1.76 -0.15 0.00 0.02 0.00 0.00 61.00 62.65 1t2s s PRO 46 Cb -0.21 -3.44 0.02 0.00 0.02 0.00 0.00 34.50 30.89 1t2s s PRO 46 CO 0.04 -0.35 0.85 -2.30 -0.33 0.00 0.00 177.00 174.91 1t2s n PRO 47 N 4.48 0.28 0.17 5.54 -0.02 -1.26 -4.85 135.00 139.34 1t2s n PRO 47 Ca 0.10 0.15 0.17 0.00 -2.02 0.00 0.00 63.50 61.91 1t2s n PRO 47 Cb 0.46 -2.14 0.80 0.00 -0.02 0.00 0.00 33.50 32.60 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 -0.61 0.00 -0.00 -0.52 3.07 -1.95 0.10 115.11 115.20 1t2s h GLN 48 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1t2s h GLN 48 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 1t2s h GLN 48 CO 0.44 0.00 -0.05 0.45 0.09 0.00 0.00 178.83 179.76 1t2s n SER 49 N -3.87 0.13 0.06 0.06 2.88 -1.26 -3.52 113.62 108.11 1t2s n SER 49 Ca 0.03 -0.15 -0.19 0.00 -1.33 0.00 0.00 58.87 57.23 1t2s n SER 49 Cb 0.38 -0.25 -0.14 0.00 -0.75 0.00 0.00 64.21 63.45 1t2s n SER 49 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1t2s h PHE 50 N 0.13 0.55 -5.18 0.66 -1.00 -1.05 -3.48 116.94 107.57 1t2s h PHE 50 Ca 0.00 -0.40 -0.41 0.00 2.81 0.00 0.00 57.97 59.97 1t2s h PHE 50 Cb 0.34 -0.02 0.06 0.00 3.61 0.00 0.00 35.95 39.94 1t2s h PHE 50 CO 0.00 1.50 -0.64 1.04 -1.61 0.00 0.00 178.31 178.60 1t2s n GLN 51 N -3.50 -5.77 -4.21 1.51 6.02 -1.23 -5.00 117.38 105.21 1t2s n GLN 51 Ca -0.20 0.81 -0.24 0.00 -0.01 0.00 0.00 57.00 57.36 1t2s n GLN 51 Cb 1.06 -5.73 -0.07 0.00 1.02 0.00 0.00 30.24 26.53 1t2s n GLN 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1t2s s SER 52 N -2.95 4.92 -0.07 1.08 0.15 -1.26 -5.11 113.70 110.45 1t2s s SER 52 Ca 0.44 -0.44 -0.17 0.00 0.70 0.00 0.00 55.95 56.47 1t2s s SER 52 Cb -0.20 -1.07 -0.05 0.00 -1.71 0.00 0.00 66.02 62.99 1t2s s SER 52 CO 0.54 0.02 0.46 0.00 1.20 0.00 0.00 173.24 175.46 1t2s s ALA 53 N -2.07 3.55 0.34 5.45 0.00 -1.26 -4.71 121.76 123.05 1t2s s ALA 53 Ca 0.31 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 1t2s s ALA 53 Cb -0.08 -2.56 -0.11 0.00 0.00 0.00 0.00 23.12 20.37 1t2s s ALA 53 CO 0.21 0.18 1.44 -2.14 0.00 0.00 0.00 175.76 175.46 1t2s s PRO 54 N -0.04 4.20 -0.07 0.00 0.02 -1.26 -4.87 135.00 132.98 1t2s s PRO 54 Ca 0.25 2.44 -0.06 0.00 0.02 0.00 0.00 61.00 63.65 1t2s s PRO 54 Cb -0.16 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.36 1t2s s PRO 54 CO 0.12 -0.43 0.19 0.50 -0.33 0.00 0.00 177.00 177.04 1t2s s ARG 55 N -1.57 0.21 0.09 5.54 3.52 -0.93 -4.95 118.95 120.86 1t2s s ARG 55 Ca 0.54 0.29 -0.26 0.00 -0.13 0.00 0.00 55.73 56.17 1t2s s ARG 55 Cb -0.44 0.07 -0.06 0.00 -1.56 0.00 0.00 34.95 32.95 1t2s s ARG 55 CO 0.56 -0.05 0.80 0.54 -0.81 0.00 0.00 175.30 176.34 1t2s s VAL 56 N 0.26 4.59 0.03 7.11 0.11 -1.26 -0.22 120.40 131.02 1t2s s VAL 56 Ca -0.01 1.73 0.07 0.00 -2.93 0.00 0.00 61.98 60.84 1t2s s VAL 56 Cb -0.03 -4.16 -0.02 0.00 -1.53 0.00 0.00 36.38 30.64 1t2s s VAL 56 CO -0.01 0.40 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.64 1t2s s TYR 57 N -0.34 1.88 -0.26 1.54 1.51 0.79 -4.92 117.35 117.55 1t2s s TYR 57 Ca 0.39 -0.37 -0.22 0.00 -1.01 0.00 0.00 57.07 55.86 1t2s s TYR 57 Cb -0.22 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1t2s s TYR 57 CO 0.25 0.07 0.72 0.50 -1.11 0.00 0.00 175.55 175.97 1t2s s ARG 58 N -1.03 4.10 -0.25 -0.62 3.52 -1.26 -0.79 118.95 122.62 1t2s s ARG 58 Ca 0.08 0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 56.06 1t2s s ARG 58 Cb -0.09 -3.66 0.01 0.00 -1.56 0.00 0.00 34.95 29.65 1t2s s ARG 58 CO 0.01 -0.49 1.09 0.08 -0.81 0.00 0.00 175.30 175.18 1t2s s VAL 59 N 2.68 4.56 0.01 7.11 1.01 0.11 -4.60 120.40 131.27 1t2s s VAL 59 Ca 0.30 1.85 -0.03 0.00 0.00 0.00 0.00 61.98 64.10 1t2s s VAL 59 Cb -0.15 -4.30 -0.28 0.00 0.00 0.00 0.00 36.38 31.65 1t2s s VAL 59 CO 0.09 -0.28 0.87 -1.13 0.00 0.00 0.00 175.10 174.64 1t2s h ASN 60 N 7.82 0.39 0.00 3.32 -0.00 -1.82 0.27 115.58 125.56 1t2s h ASN 60 Ca -0.21 -0.53 0.00 0.00 -0.00 0.00 0.00 56.30 55.56 1t2s h ASN 60 Cb 1.07 -0.13 0.00 0.00 -0.00 0.00 0.00 38.32 39.26 1t2s h ASN 60 CO 1.00 1.44 0.00 0.61 -0.00 0.00 0.00 177.43 180.48 1t2s n GLY 61 N 1.66 -0.92 3.28 1.57 0.00 -1.11 -4.37 105.19 105.30 1t2s n GLY 61 Ca -0.16 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 2.32 0.63 0.99 1.43 -1.26 -0.90 118.68 121.89 1t2s s LEU 62 Ca 0.00 -1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 51.86 1t2s s LEU 62 Cb 0.00 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.92 1t2s s LEU 62 CO 0.00 -0.45 1.03 -0.55 0.23 0.00 0.00 176.35 176.62 1t2s s SER 63 N -3.22 6.02 0.00 2.29 0.15 0.41 -4.66 113.70 114.69 1t2s s SER 63 Ca 0.23 1.51 0.28 0.00 0.70 0.00 0.00 55.95 58.67 1t2s s SER 63 Cb 0.04 -2.48 1.02 0.00 -1.71 0.00 0.00 66.02 62.88 1t2s s SER 63 CO 0.04 -1.01 1.73 0.54 1.20 0.00 0.00 173.24 175.75 1t2s n ARG 64 N -2.67 0.59 -4.06 5.44 5.12 -1.26 -4.59 116.66 115.22 1t2s n ARG 64 Ca 0.07 -0.26 -0.15 0.00 -1.93 0.00 0.00 57.85 55.58 1t2s n ARG 64 Cb 0.54 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 30.20 1t2s n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1t2s s ALA 65 N -2.58 0.31 1.23 7.54 0.00 -1.26 -5.06 121.76 121.93 1t2s s ALA 65 Ca 0.24 -0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 1t2s s ALA 65 Cb 0.19 -0.10 0.31 0.00 0.00 0.00 0.00 23.12 23.53 1t2s s ALA 65 CO 0.52 0.06 1.00 -2.14 0.00 0.00 0.00 175.76 175.21 1t2s s PRO 66 N 0.00 -1.41 0.54 0.00 0.02 -1.26 -3.47 135.00 129.43 1t2s s PRO 66 Ca 0.00 0.76 0.35 0.00 0.02 0.00 0.00 61.00 62.13 1t2s s PRO 66 Cb -0.02 -1.50 1.50 0.00 0.02 0.00 0.00 34.50 34.50 1t2s s PRO 66 CO -0.00 -4.03 2.02 0.00 -0.33 0.00 0.00 177.00 174.66 1t2s h ALA 67 N -2.84 1.00 -0.00 -1.55 0.00 -1.00 -0.30 119.26 114.58 1t2s h ALA 67 Ca -0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1t2s h ALA 67 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1t2s h ALA 67 CO 0.48 0.00 -0.34 0.43 0.00 0.00 0.00 179.25 179.83 1t2s n SER 68 N -3.01 0.47 -0.12 0.00 7.64 -1.15 -1.52 113.62 115.93 1t2s n SER 68 Ca 0.00 -0.23 -0.18 0.00 1.01 0.00 0.00 58.87 59.47 1t2s n SER 68 Cb 0.26 0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 63.42 1t2s n SER 68 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1t2s n SER 69 N -1.33 2.12 -4.75 6.43 7.64 -0.19 -4.95 113.62 118.59 1t2s n SER 69 Ca 0.08 -0.07 -0.40 0.00 1.01 0.00 0.00 58.87 59.49 1t2s n SER 69 Cb 0.33 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.47 4.83 0.11 1.43 0.41 -0.80 -5.00 118.70 117.21 1t2s s GLU 70 Ca -0.32 1.53 0.04 0.00 -0.41 0.00 0.00 54.97 55.82 1t2s s GLU 70 Cb 0.09 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 29.13 1t2s s GLU 70 CO 0.53 0.48 -0.11 0.95 -0.49 0.00 0.00 175.26 176.61 1t2s s THR 71 N -1.16 1.08 0.06 3.63 -4.23 -1.26 -1.94 115.64 111.81 1t2s s THR 71 Ca 0.42 -1.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.09 1t2s s THR 71 Cb -0.27 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.08 1t2s s THR 71 CO 0.33 -0.56 0.20 0.72 -0.54 0.00 0.00 174.62 174.77 1t2s s PHE 72 N -2.54 0.08 -0.19 3.99 -0.71 0.11 -4.96 117.98 113.76 1t2s s PHE 72 Ca 0.08 -0.36 -0.10 0.00 -1.04 0.00 0.00 56.93 55.52 1t2s s PHE 72 Cb -0.02 -0.03 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 1t2s s PHE 72 CO 0.01 -0.47 0.13 -2.00 -1.34 0.00 0.00 175.22 171.54 1t2s s GLU 73 N -2.99 4.12 -0.05 1.99 2.12 -1.26 -0.99 118.70 121.64 1t2s s GLU 73 Ca -0.02 -0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.08 1t2s s GLU 73 Cb 0.01 -3.39 0.03 0.00 0.26 0.00 0.00 34.13 31.03 1t2s s GLU 73 CO -0.06 0.33 0.02 -1.58 -0.54 0.00 0.00 175.26 173.43 1t2s s HIS 74 N 0.26 0.43 -1.82 5.30 2.46 0.98 -4.80 115.29 118.11 1t2s s HIS 74 Ca 0.08 -0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.60 1t2s s HIS 74 Cb -0.11 -0.64 0.00 0.00 -0.13 0.00 0.00 32.58 31.70 1t2s s HIS 74 CO -0.01 -0.25 0.00 -0.25 -2.47 0.00 0.00 174.74 171.75 1t2s n ASP 75 N 5.00 -5.90 0.00 9.88 8.00 -1.26 -0.88 116.55 131.40 1t2s n ASP 75 Ca -0.09 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1t2s n ASP 75 Cb 0.50 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.67 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 -0.97 0.91 3.52 0.44 0.00 -1.26 -5.01 105.19 102.82 1t2s n GLY 76 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.14 3.79 -0.46 1.61 -0.14 -0.05 -5.06 119.74 119.28 1t2s s LYS 77 Ca 0.00 -0.42 -0.20 0.00 -1.36 0.00 0.00 55.97 53.99 1t2s s LYS 77 Cb 0.00 -3.31 0.03 0.00 -1.68 0.00 0.00 37.83 32.87 1t2s s LYS 77 CO 0.00 -0.02 0.63 0.15 -0.76 0.00 0.00 175.35 175.35 1t2s s LYS 78 N 1.19 3.21 0.19 1.68 1.02 -1.26 -0.01 119.74 125.76 1t2s s LYS 78 Ca 0.05 -0.56 0.08 0.00 0.02 0.00 0.00 55.97 55.56 1t2s s LYS 78 Cb -0.14 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 1t2s s LYS 78 CO 0.04 -1.08 -0.04 0.14 -0.92 0.00 0.00 175.35 173.49 1t2s s VAL 79 N 2.75 3.47 0.72 3.17 -7.23 -0.16 -4.87 120.40 118.25 1t2s s VAL 79 Ca 0.20 -1.60 -0.12 0.00 -1.81 0.00 0.00 61.98 58.65 1t2s s VAL 79 Cb -0.16 -2.76 0.02 0.00 0.56 0.00 0.00 36.38 34.05 1t2s s VAL 79 CO 0.16 -0.16 1.11 0.42 -0.31 0.00 0.00 175.10 176.32 1t2s s THR 80 N -1.83 3.31 0.23 5.32 -4.23 -1.26 -0.71 115.64 116.46 1t2s s THR 80 Ca 0.27 0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 61.13 1t2s s THR 80 Cb -0.09 -3.42 0.19 0.00 1.34 0.00 0.00 72.50 70.53 1t2s s THR 80 CO 0.18 -0.55 1.86 0.40 -0.54 0.00 0.00 174.62 175.96 1t2s h ILE 81 N -0.71 1.09 -0.58 2.99 1.08 -0.85 -1.14 117.51 119.39 1t2s h ILE 81 Ca -0.45 -0.34 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 1t2s h ILE 81 Cb 1.26 0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1t2s h ILE 81 CO 0.64 0.18 0.23 0.00 -0.69 0.00 0.00 178.15 178.51 1t2s h ALA 82 N 1.36 0.76 -0.15 1.87 0.00 -1.57 -2.66 119.26 118.87 1t2s h ALA 82 Ca 0.34 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1t2s h ALA 82 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1t2s h ALA 82 CO -0.13 0.38 -0.22 1.03 0.00 0.00 0.00 179.25 180.30 1t2s h SER 83 N 0.81 0.26 -0.08 0.00 0.87 -1.65 0.23 113.55 113.97 1t2s h SER 83 Ca 0.19 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1t2s h SER 83 Cb 0.21 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1t2s h SER 83 CO -0.02 0.49 0.02 0.22 -0.53 0.00 0.00 176.83 177.02 1t2s h TYR 84 N 0.24 0.14 -0.52 2.24 3.20 -0.90 0.12 116.97 121.49 1t2s h TYR 84 Ca 0.04 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 1t2s h TYR 84 Cb 0.53 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1t2s h TYR 84 CO 0.01 0.31 -0.10 0.74 -1.64 0.00 0.00 178.16 177.48 1t2s h PHE 85 N -0.07 1.06 -0.85 -3.82 -1.00 -1.29 -0.89 116.94 110.08 1t2s h PHE 85 Ca 0.03 -0.21 0.03 0.00 2.81 0.00 0.00 57.97 60.62 1t2s h PHE 85 Cb 0.24 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 39.48 1t2s h PHE 85 CO 0.00 1.00 0.55 1.25 -1.61 0.00 0.00 178.31 179.50 1t2s h HIS 86 N 0.86 1.03 -0.08 -0.55 2.76 -0.66 0.22 115.15 118.73 1t2s h HIS 86 Ca 0.14 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 1t2s h HIS 86 Cb 0.64 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1t2s h HIS 86 CO 0.04 0.61 -0.48 1.03 -1.30 0.00 0.00 177.93 177.83 1t2s h SER 87 N 1.08 0.22 -0.20 3.26 0.87 -0.50 -2.81 113.55 115.46 1t2s h SER 87 Ca 0.33 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1t2s h SER 87 Cb -0.03 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1t2s h SER 87 CO -0.10 0.66 0.06 -1.14 -0.53 0.00 0.00 176.83 175.78 1t2s n ARG 88 N -3.97 1.84 -1.16 2.24 3.00 -0.36 -4.82 116.66 113.42 1t2s n ARG 88 Ca -0.02 -0.87 -0.06 0.00 -0.00 0.00 0.00 57.85 56.91 1t2s n ARG 88 Cb 0.52 -1.58 -0.02 0.00 0.00 0.00 0.00 32.46 31.37 1t2s n ARG 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1t2s n ASN 89 N 0.13 -3.73 -3.81 6.15 5.03 -0.96 -4.56 115.26 113.50 1t2s n ASN 89 Ca 0.11 0.14 -0.30 0.00 0.87 0.00 0.00 54.58 55.40 1t2s n ASN 89 Cb 0.62 -1.72 -0.14 0.00 -1.02 0.00 0.00 39.78 37.51 1t2s n ASN 89 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1t2s s TYR 90 N -2.19 2.33 -0.06 3.10 5.04 0.66 -4.96 117.35 121.27 1t2s s TYR 90 Ca 0.00 -2.26 -0.30 0.00 -2.44 0.00 0.00 57.07 52.07 1t2s s TYR 90 Cb 0.00 -2.10 -0.03 0.00 0.35 0.00 0.00 41.96 40.18 1t2s s TYR 90 CO 0.00 -0.87 1.27 -1.25 -1.34 0.00 0.00 175.55 173.36 1t2s s PRO 91 N 1.07 4.31 0.09 4.97 0.04 -1.26 -2.54 135.00 141.68 1t2s s PRO 91 Ca 0.12 1.75 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 1t2s s PRO 91 Cb -0.20 -3.61 -0.07 0.00 0.04 0.00 0.00 34.50 30.66 1t2s s PRO 91 CO -0.14 -0.54 1.32 -0.51 0.04 0.00 0.00 177.00 177.17 1t2s s LEU 92 N 2.55 4.37 0.18 -3.56 1.43 -1.26 -4.92 118.68 117.47 1t2s s LEU 92 Ca 0.58 2.21 -0.05 0.00 -1.03 0.00 0.00 54.13 55.84 1t2s s LEU 92 Cb -0.26 -3.58 0.09 0.00 0.03 0.00 0.00 46.19 42.47 1t2s s LEU 92 CO 0.22 -0.59 1.51 0.11 0.23 0.00 0.00 176.35 177.83 1t2s h LYS 93 N 6.83 0.64 -2.02 1.70 1.57 -2.02 -3.37 116.57 119.91 1t2s h LYS 93 Ca -0.42 -0.38 -0.56 0.00 -1.87 0.00 0.00 60.65 57.42 1t2s h LYS 93 Cb 1.21 0.03 -0.39 0.00 0.08 0.00 0.00 32.23 33.16 1t2s h LYS 93 CO 0.85 0.99 -1.05 1.97 -0.57 0.00 0.00 179.45 181.63 1t2s n PHE 94 N -3.99 0.10 0.48 -1.35 1.16 -1.26 -4.90 117.46 107.69 1t2s n PHE 94 Ca -0.03 -3.63 0.08 0.00 -1.87 0.00 0.00 57.45 52.00 1t2s n PHE 94 Cb 0.58 -0.37 0.36 0.00 -1.61 0.00 0.00 39.48 38.43 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 1.32 0.05 -0.08 3.97 -0.04 -1.26 -2.59 135.00 136.38 1t2s n PRO 95 Ca 0.22 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 64.02 1t2s n PRO 95 Cb 0.52 -1.60 0.15 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.70 1.38 -3.50 0.54 1.13 -1.26 -1.04 117.38 112.94 1t2s n GLN 96 Ca 0.03 -0.58 -0.34 0.00 -1.94 0.00 0.00 57.00 54.17 1t2s n GLN 96 Cb 0.19 -1.17 -0.05 0.00 0.11 0.00 0.00 30.24 29.31 1t2s n GLN 96 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1t2s s LEU 97 N -1.11 4.29 0.10 1.08 0.05 -1.07 -4.29 118.68 117.73 1t2s s LEU 97 Ca 0.15 0.86 -0.31 0.00 0.05 0.00 0.00 54.13 54.89 1t2s s LEU 97 Cb 0.08 -3.26 -0.10 0.00 -2.05 0.00 0.00 46.19 40.86 1t2s s LEU 97 CO 0.11 0.08 1.87 -1.00 -0.55 0.00 0.00 176.35 176.86 1t2s s HIS 98 N -1.54 1.88 0.73 3.48 3.76 -1.26 -3.03 115.29 119.31 1t2s s HIS 98 Ca 0.39 -0.16 -0.14 0.00 -0.15 0.00 0.00 55.06 55.00 1t2s s HIS 98 Cb -0.13 -4.20 0.04 0.00 1.11 0.00 0.00 32.58 29.40 1t2s s HIS 98 CO 0.20 -5.08 1.16 0.00 -0.85 0.00 0.00 174.74 170.17 1t2s s LEU 100 N -5.29 4.39 -0.58 0.00 2.96 0.54 -0.45 118.68 120.26 1t2s s LEU 100 Ca 0.70 2.24 -0.13 0.00 -0.22 0.00 0.00 54.13 56.72 1t2s s LEU 100 Cb -0.25 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 42.99 1t2s s LEU 100 CO 0.46 -0.53 0.50 0.21 -1.32 0.00 0.00 176.35 175.67 1t2s s ASN 101 N 0.76 6.10 0.06 3.68 2.47 -0.08 -2.36 114.94 125.57 1t2s s ASN 101 Ca 0.59 -2.05 0.01 0.00 0.42 0.00 0.00 52.86 51.83 1t2s s ASN 101 Cb -0.34 -2.13 -0.00 0.00 -1.45 0.00 0.00 41.25 37.33 1t2s s ASN 101 CO 0.33 -0.73 0.03 1.33 -3.72 0.00 0.00 177.10 174.33 1t2s n VAL 102 N 4.82 0.00 0.00 -5.21 0.24 -1.07 -2.75 118.33 114.36 1t2s n VAL 102 Ca -0.06 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1t2s n VAL 102 Cb 0.41 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 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 1.42 0.85 3.61 7.63 0.00 -1.26 -1.20 105.19 116.24 1t2s n GLY 103 Ca -0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1t2s n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t2s s SER 104 N -4.00 0.67 -0.03 1.61 1.04 -0.66 -5.02 113.70 107.31 1t2s s SER 104 Ca 0.00 -1.41 -0.23 0.00 0.48 0.00 0.00 55.95 54.79 1t2s s SER 104 Cb 0.00 0.75 -0.22 0.00 0.10 0.00 0.00 66.02 66.65 1t2s s SER 104 CO 0.00 -1.48 1.08 0.28 0.98 0.00 0.00 173.24 174.11 1t2s h SER 105 N 2.05 0.31 0.06 7.02 0.02 -2.01 -3.29 113.55 117.70 1t2s h SER 105 Ca -0.30 -0.73 -0.10 0.00 -0.84 0.00 0.00 61.79 59.82 1t2s h SER 105 Cb 1.24 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.70 1t2s h SER 105 CO 0.40 1.00 -0.45 0.40 -1.14 0.00 0.00 176.83 177.03 1t2s h ILE 106 N -0.35 1.60 -3.68 3.27 2.04 -1.99 -3.39 117.51 115.00 1t2s h ILE 106 Ca -0.03 -2.41 -0.78 0.00 1.00 0.00 0.00 64.86 62.63 1t2s h ILE 106 Cb 1.03 3.22 -0.26 0.00 -0.74 0.00 0.00 36.82 40.07 1t2s h ILE 106 CO 0.06 0.64 0.04 -0.75 0.00 0.00 0.00 178.15 178.14 1t2s s LYS 107 N -2.32 3.49 0.05 2.37 2.20 -1.26 -5.04 119.74 119.23 1t2s s LYS 107 Ca -0.18 -2.32 -0.17 0.00 -0.36 0.00 0.00 55.97 52.94 1t2s s LYS 107 Cb -0.01 -4.41 -0.06 0.00 -1.51 0.00 0.00 37.83 31.84 1t2s s LYS 107 CO 0.74 -1.30 0.51 -1.12 -0.36 0.00 0.00 175.35 173.82 1t2s s SER 108 N 2.44 6.96 -0.12 1.43 0.01 -1.24 -1.66 113.70 121.52 1t2s s SER 108 Ca 0.15 1.14 0.02 0.00 1.31 0.00 0.00 55.95 58.57 1t2s s SER 108 Cb -0.14 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 1t2s s SER 108 CO -0.07 0.28 -0.19 0.27 0.41 0.00 0.00 173.24 173.95 1t2s s ILE 109 N -1.12 2.53 -0.26 1.44 -4.36 -0.34 -4.96 121.20 114.12 1t2s s ILE 109 Ca 0.28 -0.85 -0.11 0.00 -0.26 0.00 0.00 60.65 59.71 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 0.17 0.54 0.20 -0.76 0.24 0.00 0.00 174.94 175.33 1t2s s LEU 110 N 0.37 4.06 0.04 0.37 1.02 -1.25 -2.61 118.68 120.68 1t2s s LEU 110 Ca -0.15 0.06 0.06 0.00 0.02 0.00 0.00 54.13 54.12 1t2s s LEU 110 Cb -0.17 -2.14 -0.02 0.00 0.02 0.00 0.00 46.19 43.87 1t2s s LEU 110 CO 0.07 -0.02 -0.17 -0.76 0.02 0.00 0.00 176.35 175.49 1t2s s LEU 111 N 1.53 2.18 -0.14 1.79 1.43 -0.99 -4.83 118.68 119.64 1t2s s LEU 111 Ca 0.08 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 1t2s s LEU 111 Cb -0.15 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 1t2s s LEU 111 CO 0.09 0.09 1.98 -2.16 0.23 0.00 0.00 176.35 176.58 1t2s s PRO 112 N -1.19 3.63 0.64 1.29 0.04 -1.26 -0.34 135.00 137.81 1t2s s PRO 112 Ca 0.04 2.12 0.38 0.00 0.04 0.00 0.00 61.00 63.58 1t2s s PRO 112 Cb -0.08 -4.22 2.10 0.00 0.04 0.00 0.00 34.50 32.34 1t2s s PRO 112 CO 0.02 -1.53 2.26 0.97 0.04 0.00 0.00 177.00 178.75 1t2s h ILE 113 N 6.40 0.17 -0.86 0.56 2.10 -1.92 0.12 117.51 124.09 1t2s h ILE 113 Ca -0.42 0.00 0.04 0.00 1.08 0.00 0.00 64.86 65.56 1t2s h ILE 113 Cb 1.22 0.93 -0.05 0.00 -1.09 0.00 0.00 36.82 37.83 1t2s h ILE 113 CO 0.97 0.00 0.56 -0.08 -1.08 0.00 0.00 178.15 178.52 1t2s h GLU 114 N 0.00 1.02 -0.01 2.19 4.57 -1.96 -1.28 114.58 119.11 1t2s h GLU 114 Ca 0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1t2s h GLU 114 Cb 0.16 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1t2s h GLU 114 CO -0.00 0.67 0.00 1.28 -1.18 0.00 0.00 179.01 179.78 1t2s n LEU 115 N -4.45 1.17 -4.87 1.64 4.77 0.42 -4.63 117.00 111.05 1t2s n LEU 115 Ca 0.11 -0.39 -0.36 0.00 -0.03 0.00 0.00 56.01 55.34 1t2s n LEU 115 Cb 0.12 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1t2s n LEU 115 CO 0.35 0.20 -0.02 0.00 -1.33 0.00 0.00 177.39 176.58 1t2s s SER 117 N -1.32 0.23 -0.07 0.00 0.15 -0.75 -2.13 113.70 109.82 1t2s s SER 117 Ca 0.23 0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.60 1t2s s SER 117 Cb -0.14 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.00 1t2s s SER 117 CO 0.12 -0.12 1.25 -0.63 1.20 0.00 0.00 173.24 175.06 1t2s s ILE 118 N 1.07 4.16 -0.09 6.45 1.01 0.58 0.05 121.20 134.44 1t2s s ILE 118 Ca -0.09 1.48 -0.12 0.00 0.00 0.00 0.00 60.65 61.92 1t2s s ILE 118 Cb -0.13 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1t2s s ILE 118 CO -0.02 -0.03 0.28 -0.70 0.00 0.00 0.00 174.94 174.46 1t2s s GLU 119 N 2.55 3.85 0.01 2.79 2.12 -1.05 -0.32 118.70 128.65 1t2s s GLU 119 Ca 0.57 0.13 0.12 0.00 0.36 0.00 0.00 54.97 56.16 1t2s s GLU 119 Cb -0.25 -3.27 0.53 0.00 0.26 0.00 0.00 34.13 31.40 1t2s s GLU 119 CO 0.21 0.59 1.40 -0.85 -0.54 0.00 0.00 175.26 176.07 1t2s n GLU 120 N 2.38 0.01 -0.29 4.30 0.28 -1.26 -3.78 120.64 122.28 1t2s n GLU 120 Ca -0.15 0.30 0.10 0.00 -0.16 0.00 0.00 57.16 57.24 1t2s n GLU 120 Cb 0.53 -1.51 0.26 0.00 1.43 0.00 0.00 31.44 32.14 1t2s n GLU 120 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1t2s h GLY 121 N 2.07 1.34 0.00 -1.84 0.00 -1.93 -2.76 103.07 99.96 1t2s h GLY 121 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1t2s h GLY 121 CO 0.00 -0.22 -0.58 -1.61 0.00 0.00 0.00 176.54 174.13 1t2s h GLN 122 N 0.37 0.00 0.00 4.80 4.15 -1.94 -3.53 115.11 118.96 1t2s h GLN 122 Ca 0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.92 1t2s h GLN 122 Cb 0.90 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.59 1t2s h GLN 122 CO -0.51 0.79 0.00 0.00 -1.93 0.00 0.00 178.83 177.18