#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 3.76 -0.21 4.61 0.00 -1.26 -4.66 121.76 123.99 1t2s s ALA 2 Ca 0.00 -2.90 -0.17 0.00 0.00 0.00 0.00 51.96 48.89 1t2s s ALA 2 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1t2s s ALA 2 CO 0.00 -2.10 0.46 1.41 0.00 0.00 0.00 175.76 175.53 1t2s s MET 3 N 0.86 4.16 -0.19 0.00 -2.45 -1.26 -4.96 119.30 115.46 1t2s s MET 3 Ca 0.10 0.30 -0.06 0.00 -1.25 0.00 0.00 55.69 54.78 1t2s s MET 3 Cb -0.21 -3.57 -0.03 0.00 1.25 0.00 0.00 34.83 32.27 1t2s s MET 3 CO -0.03 -0.14 0.02 0.00 1.05 0.00 0.00 175.02 175.93 1t2s s ALA 4 N 1.61 3.15 -0.36 4.11 0.00 -1.26 -1.61 121.76 127.40 1t2s s ALA 4 Ca 0.21 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1t2s s ALA 4 Cb -0.15 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1t2s s ALA 4 CO 0.09 -0.02 0.18 -1.64 0.00 0.00 0.00 175.76 174.37 1t2s s MET 5 N 0.77 2.84 0.11 0.00 1.00 0.22 -4.84 119.30 119.39 1t2s s MET 5 Ca 0.01 -1.06 -0.34 0.00 0.00 0.00 0.00 55.69 54.30 1t2s s MET 5 Cb -0.14 -3.66 -0.14 0.00 0.00 0.00 0.00 34.83 30.89 1t2s s MET 5 CO 0.02 -0.66 1.62 -2.30 0.00 0.00 0.00 175.02 173.70 1t2s n PRO 6 N 4.96 2.09 0.18 2.03 -0.02 -1.26 -0.17 135.00 142.81 1t2s n PRO 6 Ca -0.12 0.76 0.15 0.00 -2.02 0.00 0.00 63.50 62.26 1t2s n PRO 6 Cb 0.46 -2.53 0.74 0.00 -0.02 0.00 0.00 33.50 32.15 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 6.46 0.00 -0.05 -0.52 2.86 -0.75 0.41 114.93 123.35 1t2s h MET 7 Ca -0.46 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1t2s h MET 7 Cb 1.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 1t2s h MET 7 CO 0.89 0.00 0.02 0.82 1.06 0.00 0.00 176.91 179.71 1t2s h ILE 8 N 0.00 1.11 0.00 -1.22 1.08 -1.79 0.33 117.51 117.01 1t2s h ILE 8 Ca 0.09 -0.32 -0.14 0.00 -0.39 0.00 0.00 64.86 64.10 1t2s h ILE 8 Cb 0.41 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 1t2s h ILE 8 CO -0.00 0.09 -0.66 -0.08 -0.69 0.00 0.00 178.15 176.81 1t2s h GLU 9 N -0.05 0.00 -0.25 2.37 4.81 -1.22 -2.64 114.58 117.60 1t2s h GLU 9 Ca 0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1t2s h GLU 9 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1t2s h GLU 9 CO -0.00 0.66 0.09 -0.92 -0.73 0.00 0.00 179.01 178.11 1t2s h TYR 10 N 0.00 0.39 -0.28 0.92 3.20 -0.17 -2.27 116.97 118.76 1t2s h TYR 10 Ca -0.01 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1t2s h TYR 10 Cb 1.21 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1t2s h TYR 10 CO 0.00 0.41 0.08 -0.07 -1.64 0.00 0.00 178.16 176.94 1t2s h LEU 11 N 0.25 0.43 -0.06 2.82 4.07 -0.83 -0.79 115.31 121.20 1t2s h LEU 11 Ca 0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 1t2s h LEU 11 Cb 0.20 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 1t2s h LEU 11 CO -0.01 0.54 0.02 1.05 -1.08 0.00 0.00 178.44 178.96 1t2s h GLU 12 N 0.30 0.10 0.02 1.13 4.11 -1.48 0.17 114.58 118.92 1t2s h GLU 12 Ca 0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 1t2s h GLU 12 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1t2s h GLU 12 CO -0.00 0.28 -0.01 0.00 0.07 0.00 0.00 179.01 179.35 1t2s h ARG 13 N -0.11 -0.02 0.07 1.06 3.08 -1.42 0.56 114.38 117.59 1t2s h ARG 13 Ca 0.02 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.75 1t2s h ARG 13 Cb 0.23 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1t2s h ARG 13 CO -0.00 0.71 -1.77 0.74 -1.07 0.00 0.00 179.97 178.59 1t2s h PHE 14 N -0.83 0.27 0.00 3.04 0.04 -1.25 -3.25 116.94 114.96 1t2s h PHE 14 Ca -0.00 -0.20 -0.28 0.00 2.80 0.00 0.00 57.97 60.29 1t2s h PHE 14 Cb 0.75 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.85 1t2s h PHE 14 CO 0.19 1.37 -1.61 0.45 -0.60 0.00 0.00 178.31 178.11 1t2s n SER 15 N -3.29 1.89 0.01 2.17 2.88 -0.70 -4.64 113.62 111.93 1t2s n SER 15 Ca -0.22 0.41 0.07 0.00 -1.33 0.00 0.00 58.87 57.80 1t2s n SER 15 Cb 1.05 -0.90 -0.12 0.00 -0.75 0.00 0.00 64.21 63.48 1t2s n SER 15 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1t2s n LEU 16 N -4.39 0.26 -1.23 2.46 4.77 0.50 -4.96 117.00 114.41 1t2s n LEU 16 Ca -0.36 0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.57 1t2s n LEU 16 Cb 0.70 0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 1t2s n LEU 16 CO 0.13 0.04 -0.15 0.29 -1.33 0.00 0.00 177.39 176.37 1t2s n LYS 17 N -2.48 -1.06 -0.92 3.23 4.76 0.17 -4.96 118.16 116.89 1t2s n LYS 17 Ca -0.08 0.98 0.00 0.00 -2.87 0.00 0.00 58.31 56.34 1t2s n LYS 17 Cb 0.67 -5.14 0.00 0.00 -1.84 0.00 0.00 35.03 28.72 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 0.81 0.00 -2.74 7.82 0.00 0.30 -4.95 120.51 121.75 1t2s n ALA 18 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 1t2s n ALA 18 Cb 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.38 3.05 -0.20 0.00 2.47 -1.26 -3.83 119.74 119.59 1t2s s LYS 19 Ca 0.00 -0.57 -0.18 0.00 -1.56 0.00 0.00 55.97 53.67 1t2s s LYS 19 Cb 0.00 -2.66 -0.03 0.00 -1.46 0.00 0.00 37.83 33.67 1t2s s LYS 19 CO 0.00 0.50 0.48 0.42 0.16 0.00 0.00 175.35 176.90 1t2s s ILE 20 N -0.36 5.14 0.00 5.43 -1.09 -1.26 -4.81 121.20 124.26 1t2s s ILE 20 Ca 0.05 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 1t2s s ILE 20 Cb -0.12 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1t2s s ILE 20 CO 0.02 0.21 0.00 0.59 -1.23 0.00 0.00 174.94 174.53 1t2s n ASN 21 N 4.62 0.13 0.00 3.58 4.13 -1.26 -4.98 115.26 121.47 1t2s n ASN 21 Ca -0.06 -0.91 0.07 0.00 1.68 0.00 0.00 54.58 55.37 1t2s n ASN 21 Cb 0.51 0.00 0.34 0.00 -1.54 0.00 0.00 39.78 39.08 1t2s n ASN 21 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1t2s n ASN 22 N -2.61 0.00 0.03 6.41 0.23 -1.26 -2.33 115.26 115.72 1t2s n ASN 22 Ca 0.00 0.47 0.12 0.00 -0.53 0.00 0.00 54.58 54.64 1t2s n ASN 22 Cb 0.00 -0.49 0.13 0.00 -2.08 0.00 0.00 39.78 37.34 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 -1.49 0.15 -2.41 5.53 -2.24 -1.26 -4.83 114.28 107.73 1t2s n THR 23 Ca 0.04 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 1t2s n THR 23 Cb 0.18 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 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 -3.11 4.24 -1.27 4.28 2.01 -0.99 -4.93 115.64 115.88 1t2s s THR 24 Ca 0.07 1.48 -0.07 0.00 0.31 0.00 0.00 61.69 63.48 1t2s s THR 24 Cb 0.15 -4.02 0.17 0.00 0.01 0.00 0.00 72.50 68.82 1t2s s THR 24 CO 0.75 -0.20 2.01 -3.20 -0.69 0.00 0.00 174.62 173.29 1t2s n ASN 25 N 6.84 6.31 -0.64 3.53 5.15 -1.26 -4.56 115.26 130.63 1t2s n ASN 25 Ca 0.14 -3.18 0.11 0.00 -0.60 0.00 0.00 54.58 51.05 1t2s n ASN 25 Cb 0.45 -1.40 0.35 0.00 -0.53 0.00 0.00 39.78 38.65 1t2s n ASN 25 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1t2s n LEU 26 N 2.72 1.93 -0.05 1.20 4.77 -1.26 -4.51 117.00 121.79 1t2s n LEU 26 Ca 0.46 -0.80 -0.12 0.00 -0.03 0.00 0.00 56.01 55.52 1t2s n LEU 26 Cb 0.32 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1t2s n LEU 26 CO 0.75 0.40 0.50 0.44 -1.33 0.00 0.00 177.39 178.16 1t2s h ASP 27 N 2.58 -1.43 1.25 -1.43 5.19 -1.92 0.21 116.42 120.88 1t2s h ASP 27 Ca 0.00 0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 1t2s h ASP 27 Cb 0.56 0.57 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 1t2s h ASP 27 CO 0.00 -0.36 -0.08 1.88 -3.12 0.00 0.00 179.24 177.57 1t2s h TYR 28 N -0.40 0.00 0.00 4.55 0.05 -1.95 -3.03 116.97 116.18 1t2s h TYR 28 Ca 0.04 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 1t2s h TYR 28 Cb 0.51 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1t2s h TYR 28 CO -0.62 0.08 -0.19 0.77 -1.05 0.00 0.00 178.16 177.15 1t2s h SER 29 N 0.00 0.00 -0.50 3.88 0.02 -1.45 -3.26 113.55 112.24 1t2s h SER 29 Ca -0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1t2s h SER 29 Cb 0.73 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1t2s h SER 29 CO 0.01 0.19 0.34 -0.09 -1.14 0.00 0.00 176.83 176.14 1t2s h ARG 30 N 0.00 0.25 -0.01 3.45 9.65 -0.51 0.20 114.38 127.41 1t2s h ARG 30 Ca -0.00 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.72 1t2s h ARG 30 Cb 1.13 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.64 1t2s h ARG 30 CO 0.02 0.17 -0.64 -0.09 2.80 0.00 0.00 179.97 182.23 1t2s h ARG 31 N 0.26 0.04 0.00 0.20 2.43 -1.78 -1.73 114.38 113.79 1t2s h ARG 31 Ca 0.23 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1t2s h ARG 31 Cb 0.57 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1t2s h ARG 31 CO -0.05 0.67 -0.32 1.19 -1.51 0.00 0.00 179.97 179.95 1t2s n PHE 32 N -3.79 0.25 0.30 2.20 3.72 0.42 -2.85 117.46 117.72 1t2s n PHE 32 Ca -0.01 0.07 0.12 0.00 -0.05 0.00 0.00 57.45 57.58 1t2s n PHE 32 Cb 0.64 -0.51 0.17 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.00 0.00 -0.12 4.37 3.38 -0.21 -3.32 115.31 119.41 1t2s h LEU 33 Ca 0.00 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1t2s h LEU 33 Cb 0.59 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1t2s h LEU 33 CO 0.00 0.01 -0.23 -0.33 0.09 0.00 0.00 178.44 177.98 1t2s h GLU 34 N 0.00 -0.29 -0.63 1.13 5.08 -1.18 -0.81 114.58 117.88 1t2s h GLU 34 Ca 0.00 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 1t2s h GLU 34 Cb 0.93 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 1t2s h GLU 34 CO 0.00 -0.19 0.43 -1.35 -1.00 0.00 0.00 179.01 176.89 1t2s h PRO 35 N -0.30 0.31 0.00 2.33 0.11 -1.74 0.87 132.00 133.57 1t2s h PRO 35 Ca 0.10 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 1t2s h PRO 35 Cb 0.45 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1t2s h PRO 35 CO -0.29 0.20 -0.48 0.35 -0.21 0.00 0.00 178.00 177.57 1t2s h PHE 36 N 0.32 0.00 -0.01 0.65 3.57 -1.56 -3.12 116.94 116.79 1t2s h PHE 36 Ca 0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1t2s h PHE 36 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1t2s h PHE 36 CO -0.00 0.48 -0.48 1.28 -2.23 0.00 0.00 178.31 177.36 1t2s n LEU 37 N -3.33 1.42 -4.59 0.59 4.32 -0.06 -4.89 117.00 110.46 1t2s n LEU 37 Ca 0.01 -0.49 -0.42 0.00 -0.02 0.00 0.00 56.01 55.09 1t2s n LEU 37 Cb 0.66 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.37 1t2s n LEU 37 CO 0.39 0.28 1.74 -0.60 -1.22 0.00 0.00 177.39 177.98 1t2s s ARG 38 N -2.61 3.06 0.00 3.23 3.52 0.10 -2.70 118.95 123.56 1t2s s ARG 38 Ca 0.18 1.67 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 1t2s s ARG 38 Cb 0.18 -4.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.24 1t2s s ARG 38 CO 0.61 -2.18 0.00 0.41 -0.81 0.00 0.00 175.30 173.33 1t2s n GLY 39 N 5.67 0.61 3.73 8.12 0.00 0.13 -5.02 105.19 118.43 1t2s n GLY 39 Ca 0.28 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.73 2.24 -0.14 -0.61 -4.36 -1.10 -4.92 121.20 109.58 1t2s s ILE 40 Ca 0.00 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1t2s s ILE 40 Cb 0.00 -2.98 0.02 0.00 1.25 0.00 0.00 42.46 40.76 1t2s s ILE 40 CO 0.00 0.00 -0.13 0.20 0.24 0.00 0.00 174.94 175.25 1t2s s ASN 41 N -3.89 2.55 -0.06 4.36 -0.87 -1.26 -0.05 114.94 115.72 1t2s s ASN 41 Ca 0.40 -0.45 0.04 0.00 -1.57 0.00 0.00 52.86 51.29 1t2s s ASN 41 Cb 0.04 -1.11 -0.00 0.00 -0.02 0.00 0.00 41.25 40.17 1t2s s ASN 41 CO 0.22 -0.05 -0.20 0.68 -2.57 0.00 0.00 177.10 175.18 1t2s s VAL 42 N 1.44 1.65 -0.56 1.60 -7.23 -0.03 -3.17 120.40 114.10 1t2s s VAL 42 Ca 0.03 -0.82 -0.24 0.00 -1.81 0.00 0.00 61.98 59.14 1t2s s VAL 42 Cb -0.13 -1.42 0.05 0.00 0.56 0.00 0.00 36.38 35.44 1t2s s VAL 42 CO -0.09 0.47 0.91 -0.69 -0.31 0.00 0.00 175.10 175.39 1t2s s VAL 43 N 0.10 4.43 -0.36 1.32 1.01 0.15 -0.09 120.40 126.96 1t2s s VAL 43 Ca -0.07 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1t2s s VAL 43 Cb -0.13 -4.53 0.02 0.00 0.00 0.00 0.00 36.38 31.74 1t2s s VAL 43 CO 0.04 -1.11 1.12 -0.47 0.00 0.00 0.00 175.10 174.67 1t2s s TYR 44 N 3.83 3.01 -0.44 5.22 5.04 0.47 -2.10 117.35 132.39 1t2s s TYR 44 Ca 0.28 1.04 -0.11 0.00 -2.44 0.00 0.00 57.07 55.85 1t2s s TYR 44 Cb -0.13 -3.90 0.08 0.00 0.35 0.00 0.00 41.96 38.36 1t2s s TYR 44 CO 0.18 -1.00 0.30 0.99 -1.34 0.00 0.00 175.55 174.68 1t2s s THR 45 N 3.94 4.46 0.27 4.34 2.01 -1.01 -1.23 115.64 128.43 1t2s s THR 45 Ca 0.47 -1.36 -0.31 0.00 0.31 0.00 0.00 61.69 60.81 1t2s s THR 45 Cb -0.11 -3.74 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 1t2s s THR 45 CO 0.20 -0.55 1.51 -2.65 -0.69 0.00 0.00 174.62 172.44 1t2s n PRO 46 N 4.98 2.39 -1.39 4.92 -0.02 -1.26 -4.93 135.00 139.70 1t2s n PRO 46 Ca -0.10 0.85 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 1t2s n PRO 46 Cb 0.43 -2.58 0.06 0.00 -0.02 0.00 0.00 33.50 31.39 1t2s n PRO 46 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1t2s n PRO 47 N 2.09 0.46 -0.14 0.52 -0.02 -1.26 -4.74 135.00 131.90 1t2s n PRO 47 Ca 0.10 0.19 0.27 0.00 -2.02 0.00 0.00 63.50 62.05 1t2s n PRO 47 Cb 0.34 -1.85 0.72 0.00 -0.02 0.00 0.00 33.50 32.70 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 -0.04 0.00 0.00 -0.52 3.07 -1.94 0.39 115.11 116.08 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 1.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.93 1t2s h GLN 48 CO 0.45 0.00 -0.04 0.77 0.09 0.00 0.00 178.83 180.11 1t2s h SER 49 N 0.00 0.00 0.43 0.06 0.02 -1.88 -3.15 113.55 109.03 1t2s h SER 49 Ca 0.39 -0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 61.10 1t2s h SER 49 Cb 1.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.16 1t2s h SER 49 CO -0.00 0.01 -0.99 -0.26 -1.14 0.00 0.00 176.83 174.44 1t2s h PHE 50 N 0.00 0.55 -1.57 3.45 -1.00 -0.50 -3.47 116.94 114.40 1t2s h PHE 50 Ca 0.00 -0.32 -0.42 0.00 2.81 0.00 0.00 57.97 60.04 1t2s h PHE 50 Cb 0.75 -0.05 -0.12 0.00 3.61 0.00 0.00 35.95 40.13 1t2s h PHE 50 CO 0.00 1.15 -0.43 1.04 -1.61 0.00 0.00 178.31 178.47 1t2s n GLN 51 N -3.69 -1.50 -3.95 1.51 6.02 -1.19 -4.97 117.38 109.60 1t2s n GLN 51 Ca -0.07 1.16 -0.32 0.00 -0.01 0.00 0.00 57.00 57.76 1t2s n GLN 51 Cb 0.87 -5.62 -0.05 0.00 1.02 0.00 0.00 30.24 26.46 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 -2.57 6.17 0.32 1.08 0.01 -1.26 -5.08 113.70 112.37 1t2s s SER 52 Ca 0.00 0.25 -0.28 0.00 1.31 0.00 0.00 55.95 57.23 1t2s s SER 52 Cb 0.00 -1.88 -0.10 0.00 0.21 0.00 0.00 66.02 64.26 1t2s s SER 52 CO 0.00 0.22 1.17 0.00 0.41 0.00 0.00 173.24 175.04 1t2s s ALA 53 N -1.38 3.38 0.39 1.44 0.00 -1.26 -4.40 121.76 119.93 1t2s s ALA 53 Ca 0.30 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 53.01 1t2s s ALA 53 Cb -0.13 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1t2s s ALA 53 CO 0.22 -0.36 1.18 -1.25 0.00 0.00 0.00 175.76 175.55 1t2s s PRO 54 N -1.72 4.10 -0.00 0.00 0.04 -1.26 -4.72 135.00 131.43 1t2s s PRO 54 Ca 0.48 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 63.39 1t2s s PRO 54 Cb -0.34 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1t2s s PRO 54 CO 0.44 -0.29 0.01 0.50 0.04 0.00 0.00 177.00 177.70 1t2s s ARG 55 N -2.22 0.01 0.12 4.56 3.52 -0.36 -4.94 118.95 119.64 1t2s s ARG 55 Ca 0.56 0.02 -0.24 0.00 -0.13 0.00 0.00 55.73 55.94 1t2s s ARG 55 Cb -0.32 -0.00 -0.07 0.00 -1.56 0.00 0.00 34.95 33.00 1t2s s ARG 55 CO 0.40 -0.01 0.73 0.54 -0.81 0.00 0.00 175.30 176.15 1t2s s VAL 56 N 0.05 4.52 0.06 7.11 0.11 -1.26 -0.39 120.40 130.59 1t2s s VAL 56 Ca -0.00 1.59 0.05 0.00 -2.93 0.00 0.00 61.98 60.68 1t2s s VAL 56 Cb -0.01 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.73 1t2s s VAL 56 CO -0.00 0.50 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.83 1t2s s TYR 57 N -0.91 1.12 -0.14 1.54 2.02 0.87 -4.93 117.35 116.92 1t2s s TYR 57 Ca 0.35 -0.44 -0.22 0.00 -0.37 0.00 0.00 57.07 56.39 1t2s s TYR 57 Cb -0.22 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.67 1t2s s TYR 57 CO 0.24 0.03 0.69 0.50 -1.57 0.00 0.00 175.55 175.44 1t2s s ARG 58 N -1.57 4.31 -0.31 -0.62 3.52 -1.26 -0.85 118.95 122.18 1t2s s ARG 58 Ca -0.02 0.78 -0.26 0.00 -0.13 0.00 0.00 55.73 56.10 1t2s s ARG 58 Cb -0.09 -3.53 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1t2s s ARG 58 CO 0.02 -0.14 0.92 0.08 -0.81 0.00 0.00 175.30 175.36 1t2s s VAL 59 N 1.54 4.68 -0.01 7.11 1.01 0.92 -4.35 120.40 131.30 1t2s s VAL 59 Ca 0.34 1.46 0.07 0.00 0.00 0.00 0.00 61.98 63.85 1t2s s VAL 59 Cb -0.17 -4.26 -0.24 0.00 0.00 0.00 0.00 36.38 31.72 1t2s s VAL 59 CO 0.13 -0.33 0.78 0.78 0.00 0.00 0.00 175.10 176.46 1t2s h ASN 60 N 8.06 0.10 0.00 3.32 4.21 -1.79 0.39 115.58 129.87 1t2s h ASN 60 Ca -0.22 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.11 1t2s h ASN 60 Cb 1.08 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1t2s h ASN 60 CO 0.95 1.15 0.00 0.61 -1.29 0.00 0.00 177.43 178.85 1t2s n GLY 61 N 1.57 -0.85 3.33 2.83 0.00 -1.10 -4.48 105.19 106.49 1t2s n GLY 61 Ca -0.15 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 2.42 0.82 0.99 1.43 -1.26 -0.75 118.68 122.33 1t2s s LEU 62 Ca 0.00 -1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 51.88 1t2s s LEU 62 Cb 0.00 -0.46 0.08 0.00 0.03 0.00 0.00 46.19 45.85 1t2s s LEU 62 CO 0.00 -0.35 1.10 -0.94 0.23 0.00 0.00 176.35 176.39 1t2s s SER 63 N -3.30 4.07 0.00 2.29 1.04 0.48 -4.57 113.70 113.71 1t2s s SER 63 Ca 0.24 1.85 0.27 0.00 0.48 0.00 0.00 55.95 58.79 1t2s s SER 63 Cb 0.03 -2.49 0.91 0.00 0.10 0.00 0.00 66.02 64.58 1t2s s SER 63 CO 0.07 -2.32 1.67 -1.14 0.98 0.00 0.00 173.24 172.51 1t2s n ARG 64 N -3.70 0.50 -3.89 4.02 3.00 -1.26 -4.71 116.66 110.61 1t2s n ARG 64 Ca 0.09 -0.23 -0.11 0.00 -0.00 0.00 0.00 57.85 57.60 1t2s n ARG 64 Cb 0.53 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 31.39 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 -2.66 -0.23 0.97 5.13 0.00 -1.26 -5.13 121.76 118.58 1t2s s ALA 65 Ca 0.22 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 1t2s s ALA 65 Cb 0.19 0.11 0.16 0.00 0.00 0.00 0.00 23.12 23.58 1t2s s ALA 65 CO 0.55 -0.19 1.03 -2.30 0.00 0.00 0.00 175.76 174.84 1t2s n PRO 66 N 1.53 -0.80 0.31 0.00 -0.02 -1.26 -3.99 135.00 130.77 1t2s n PRO 66 Ca -0.23 -0.18 0.18 0.00 -2.02 0.00 0.00 63.50 61.25 1t2s n PRO 66 Cb 0.56 -2.28 1.02 0.00 -0.02 0.00 0.00 33.50 32.77 1t2s n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t2s h ALA 67 N -2.01 1.33 0.00 3.55 0.00 -0.95 0.94 119.26 122.12 1t2s h ALA 67 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t2s h ALA 67 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1t2s h ALA 67 CO 0.42 0.01 -0.70 0.66 0.00 0.00 0.00 179.25 179.63 1t2s h SER 68 N 0.00 0.00 0.16 0.00 4.64 -1.68 -1.02 113.55 115.65 1t2s h SER 68 Ca -0.00 -0.08 -0.35 0.00 -0.47 0.00 0.00 61.79 60.89 1t2s h SER 68 Cb 0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 1t2s h SER 68 CO 0.00 0.04 -2.15 -1.20 -0.87 0.00 0.00 176.83 172.65 1t2s n SER 69 N -2.52 0.89 -4.62 4.97 7.64 0.16 -4.87 113.62 115.27 1t2s n SER 69 Ca 0.02 0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.60 1t2s n SER 69 Cb 0.50 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.87 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 -2.54 3.79 -0.12 1.43 0.41 -0.24 -4.97 118.70 116.45 1t2s s GLU 70 Ca -0.14 1.06 -0.03 0.00 -0.41 0.00 0.00 54.97 55.44 1t2s s GLU 70 Cb 0.07 -3.92 -0.03 0.00 -1.78 0.00 0.00 34.13 28.47 1t2s s GLU 70 CO 0.78 -1.29 -0.02 0.95 -0.49 0.00 0.00 175.26 175.19 1t2s s THR 71 N 4.70 4.09 0.14 3.63 -4.23 -1.26 -2.02 115.64 120.68 1t2s s THR 71 Ca 0.56 -0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 1t2s s THR 71 Cb -0.14 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1t2s s THR 71 CO 0.27 0.54 -0.18 0.72 -0.54 0.00 0.00 174.62 175.44 1t2s s PHE 72 N -0.24 1.70 -0.49 3.99 -0.71 0.52 -4.91 117.98 117.84 1t2s s PHE 72 Ca 0.05 -0.48 -0.21 0.00 -1.04 0.00 0.00 56.93 55.24 1t2s s PHE 72 Cb -0.13 -0.87 0.04 0.00 -1.21 0.00 0.00 43.02 40.85 1t2s s PHE 72 CO 0.02 0.26 0.73 -2.00 -1.34 0.00 0.00 175.22 172.89 1t2s s GLU 73 N -2.60 3.24 -0.49 1.99 2.12 -1.26 -1.29 118.70 120.41 1t2s s GLU 73 Ca 0.12 -0.51 -0.10 0.00 0.36 0.00 0.00 54.97 54.84 1t2s s GLU 73 Cb -0.06 -4.03 0.13 0.00 0.26 0.00 0.00 34.13 30.42 1t2s s GLU 73 CO 0.05 -1.22 0.38 -1.58 -0.54 0.00 0.00 175.26 172.35 1t2s s HIS 74 N 3.08 3.42 -1.41 5.30 5.65 0.15 -4.52 115.29 126.96 1t2s s HIS 74 Ca 0.22 -1.84 -0.08 0.00 0.25 0.00 0.00 55.06 53.61 1t2s s HIS 74 Cb -0.15 -3.54 0.01 0.00 -1.18 0.00 0.00 32.58 27.72 1t2s s HIS 74 CO 0.17 -0.99 1.07 -0.25 -0.65 0.00 0.00 174.74 174.08 1t2s n ASP 75 N 4.88 -6.30 0.00 9.88 8.00 -1.26 -2.00 116.55 129.75 1t2s n ASP 75 Ca -0.07 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1t2s n ASP 75 Cb 0.41 -4.98 0.00 0.00 -0.02 0.00 0.00 41.12 36.52 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 -1.91 1.20 3.59 0.44 0.00 -1.26 -5.03 105.19 102.22 1t2s n GLY 76 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 3.94 -0.53 1.61 -0.14 -0.85 -5.04 119.74 118.16 1t2s s LYS 77 Ca 0.00 -0.34 -0.25 0.00 -1.36 0.00 0.00 55.97 54.02 1t2s s LYS 77 Cb 0.00 -3.46 0.04 0.00 -1.68 0.00 0.00 37.83 32.73 1t2s s LYS 77 CO 0.00 -0.00 0.95 0.15 -0.76 0.00 0.00 175.35 175.69 1t2s s LYS 78 N 1.20 3.38 0.20 1.68 1.02 -1.26 0.33 119.74 126.29 1t2s s LYS 78 Ca 0.06 -0.14 0.10 0.00 0.02 0.00 0.00 55.97 56.01 1t2s s LYS 78 Cb -0.14 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 1t2s s LYS 78 CO 0.05 -1.44 -0.19 0.14 -0.92 0.00 0.00 175.35 172.98 1t2s s VAL 79 N 3.98 2.06 0.51 3.17 -7.23 -0.41 -4.88 120.40 117.59 1t2s s VAL 79 Ca 0.33 -2.08 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1t2s s VAL 79 Cb -0.12 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1t2s s VAL 79 CO 0.21 -0.33 0.84 0.42 -0.31 0.00 0.00 175.10 175.93 1t2s s THR 80 N -2.18 4.86 0.21 5.32 -4.23 -1.26 -0.35 115.64 118.00 1t2s s THR 80 Ca 0.21 0.37 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 1t2s s THR 80 Cb -0.05 -3.86 0.14 0.00 1.34 0.00 0.00 72.50 70.07 1t2s s THR 80 CO 0.09 -0.89 1.85 0.40 -0.54 0.00 0.00 174.62 175.53 1t2s h ILE 81 N 0.17 1.12 -0.00 2.99 1.08 -1.06 -1.01 117.51 120.80 1t2s h ILE 81 Ca -0.46 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1t2s h ILE 81 Cb 1.20 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1t2s h ILE 81 CO 0.62 0.16 0.00 0.00 -0.69 0.00 0.00 178.15 178.24 1t2s h ALA 82 N 1.29 0.01 0.00 1.87 0.00 -1.49 -2.75 119.26 118.19 1t2s h ALA 82 Ca 0.28 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1t2s h ALA 82 Cb -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1t2s h ALA 82 CO -0.10 -0.43 -0.31 0.77 0.00 0.00 0.00 179.25 179.19 1t2s h SER 83 N -0.13 0.00 -0.06 0.00 0.02 -1.78 0.37 113.55 111.97 1t2s h SER 83 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t2s h SER 83 Cb 0.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1t2s h SER 83 CO -0.00 0.31 0.02 0.22 -1.14 0.00 0.00 176.83 176.23 1t2s h TYR 84 N 0.00 0.09 -0.39 3.45 3.20 -0.99 -0.35 116.97 121.97 1t2s h TYR 84 Ca -0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 1t2s h TYR 84 Cb 0.66 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1t2s h TYR 84 CO 0.00 0.27 -0.25 0.74 -1.64 0.00 0.00 178.16 177.27 1t2s h PHE 85 N -0.10 0.94 -0.32 -3.82 -1.00 -1.23 -2.31 116.94 109.10 1t2s h PHE 85 Ca 0.02 -0.23 0.04 0.00 2.81 0.00 0.00 57.97 60.61 1t2s h PHE 85 Cb 0.22 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1t2s h PHE 85 CO -0.00 0.98 0.09 1.25 -1.61 0.00 0.00 178.31 179.02 1t2s h HIS 86 N 0.70 0.16 0.00 -0.55 2.76 -0.79 -0.62 115.15 116.81 1t2s h HIS 86 Ca 0.09 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1t2s h HIS 86 Cb 0.79 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 1t2s h HIS 86 CO 0.04 0.06 -0.23 0.66 -1.30 0.00 0.00 177.93 177.16 1t2s h SER 87 N 0.22 0.00 -0.04 3.26 4.64 -0.96 -1.63 113.55 119.04 1t2s h SER 87 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1t2s h SER 87 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1t2s h SER 87 CO -0.17 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 1t2s n ARG 88 N -3.58 1.22 -2.43 4.77 5.12 -0.60 -4.82 116.66 116.34 1t2s n ARG 88 Ca -0.01 -0.20 -0.09 0.00 -1.93 0.00 0.00 57.85 55.62 1t2s n ARG 88 Cb 0.37 -1.39 0.01 0.00 -1.16 0.00 0.00 32.46 30.29 1t2s n ARG 88 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1t2s n ASN 89 N -0.08 -3.31 -3.71 0.55 5.03 -0.61 -4.61 115.26 108.51 1t2s n ASN 89 Ca 0.02 -0.08 -0.30 0.00 0.87 0.00 0.00 54.58 55.09 1t2s n ASN 89 Cb 0.23 -2.35 -0.13 0.00 -1.02 0.00 0.00 39.78 36.50 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 -2.67 1.96 -0.30 3.10 6.14 -0.34 -4.96 117.35 120.28 1t2s s TYR 90 Ca 0.08 -2.39 -0.29 0.00 0.64 0.00 0.00 57.07 55.12 1t2s s TYR 90 Cb -0.04 -1.88 -0.01 0.00 0.42 0.00 0.00 41.96 40.46 1t2s s TYR 90 CO 0.10 -0.79 1.58 -1.25 0.64 0.00 0.00 175.55 175.83 1t2s s PRO 91 N 0.43 3.63 -0.00 4.97 0.04 -1.26 -2.94 135.00 139.86 1t2s s PRO 91 Ca 0.17 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1t2s s PRO 91 Cb -0.24 -4.06 -0.06 0.00 0.04 0.00 0.00 34.50 30.18 1t2s s PRO 91 CO -0.00 -1.49 1.55 -0.51 0.04 0.00 0.00 177.00 176.59 1t2s s LEU 92 N 5.61 4.33 0.41 -3.56 1.43 -1.26 -4.89 118.68 120.75 1t2s s LEU 92 Ca 0.70 2.24 0.22 0.00 -1.03 0.00 0.00 54.13 56.26 1t2s s LEU 92 Cb -0.21 -3.55 0.74 0.00 0.03 0.00 0.00 46.19 43.20 1t2s s LEU 92 CO 0.31 -0.84 1.75 0.11 0.23 0.00 0.00 176.35 177.91 1t2s h LYS 93 N 8.54 0.00 -1.99 1.70 1.57 -2.02 -3.35 116.57 121.03 1t2s h LYS 93 Ca -0.39 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.84 1t2s h LYS 93 Cb 1.18 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.10 1t2s h LYS 93 CO 0.93 0.27 -1.12 1.97 -0.57 0.00 0.00 179.45 180.93 1t2s n PHE 94 N -3.36 -0.29 0.68 -1.35 1.16 -1.26 -4.70 117.46 108.34 1t2s n PHE 94 Ca 0.01 -3.59 0.08 0.00 -1.87 0.00 0.00 57.45 52.07 1t2s n PHE 94 Cb 0.49 -0.35 0.38 0.00 -1.61 0.00 0.00 39.48 38.39 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 1.22 0.13 0.00 3.97 -0.04 -1.26 -2.38 135.00 136.64 1t2s n PRO 95 Ca 0.22 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 1t2s n PRO 95 Cb 0.55 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.15 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 -1.38 0.76 -2.60 0.54 -0.06 -1.26 -2.07 117.38 111.32 1t2s n GLN 96 Ca 0.06 -0.25 -0.33 0.00 -2.00 0.00 0.00 57.00 54.48 1t2s n GLN 96 Cb 0.16 -1.49 -0.05 0.00 -4.06 0.00 0.00 30.24 24.79 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 -2.41 3.82 0.52 1.69 1.43 -1.00 -4.63 118.68 118.10 1t2s s LEU 97 Ca 0.31 1.75 -0.20 0.00 -1.03 0.00 0.00 54.13 54.95 1t2s s LEU 97 Cb 0.20 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.82 1t2s s LEU 97 CO 0.46 -0.59 1.15 -1.00 0.23 0.00 0.00 176.35 176.59 1t2s s HIS 98 N -2.23 2.71 0.54 0.29 3.76 -1.26 -0.84 115.29 118.27 1t2s s HIS 98 Ca 0.63 1.54 -0.07 0.00 -0.15 0.00 0.00 55.06 57.01 1t2s s HIS 98 Cb -0.12 -3.33 -0.03 0.00 1.11 0.00 0.00 32.58 30.21 1t2s s HIS 98 CO 0.20 -1.59 0.89 0.00 -0.85 0.00 0.00 174.74 173.39 1t2s s LEU 100 N -4.93 4.30 -0.67 0.00 2.96 0.93 -0.39 118.68 120.89 1t2s s LEU 100 Ca 0.51 1.61 -0.17 0.00 -0.22 0.00 0.00 54.13 55.85 1t2s s LEU 100 Cb -0.11 -3.56 0.14 0.00 0.50 0.00 0.00 46.19 43.16 1t2s s LEU 100 CO 0.48 -0.38 0.72 0.21 -1.32 0.00 0.00 176.35 176.07 1t2s s ASN 101 N 1.08 6.35 0.06 3.68 2.47 0.08 -2.38 114.94 126.27 1t2s s ASN 101 Ca 0.50 -1.83 0.01 0.00 0.42 0.00 0.00 52.86 51.96 1t2s s ASN 101 Cb -0.20 -2.28 -0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1t2s s ASN 101 CO 0.23 -0.95 0.02 1.33 -3.72 0.00 0.00 177.10 174.01 1t2s n VAL 102 N 5.16 0.00 0.00 -5.21 0.24 -1.05 -2.72 118.33 114.75 1t2s n VAL 102 Ca -0.02 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1t2s n VAL 102 Cb 0.44 0.12 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 1.90 1.28 3.58 7.63 0.00 -1.26 -1.29 105.19 117.03 1t2s n GLY 103 Ca -0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.17 0.17 1.61 1.04 -0.81 -4.97 113.70 106.57 1t2s s SER 104 Ca 0.00 -0.70 -0.07 0.00 0.48 0.00 0.00 55.95 55.66 1t2s s SER 104 Cb 0.00 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.75 1t2s s SER 104 CO 0.00 -1.11 1.48 0.77 0.98 0.00 0.00 173.24 175.36 1t2s h SER 105 N 2.22 0.79 0.01 7.02 4.64 -1.98 -2.84 113.55 123.41 1t2s h SER 105 Ca -0.27 -0.40 -0.23 0.00 -0.47 0.00 0.00 61.79 60.42 1t2s h SER 105 Cb 1.25 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1t2s h SER 105 CO 0.35 1.15 -0.92 0.16 -0.87 0.00 0.00 176.83 176.71 1t2s h ILE 106 N 0.56 1.33 -3.29 0.95 3.07 -1.98 -3.38 117.51 114.77 1t2s h ILE 106 Ca 0.02 -2.21 -0.64 0.00 1.55 0.00 0.00 64.86 63.58 1t2s h ILE 106 Cb 1.07 2.49 -0.41 0.00 -0.27 0.00 0.00 36.82 39.70 1t2s h ILE 106 CO 0.11 0.67 -0.57 -0.75 -1.05 0.00 0.00 178.15 176.55 1t2s s LYS 107 N -3.24 2.24 0.08 0.16 2.20 -1.23 -5.08 119.74 114.86 1t2s s LYS 107 Ca -0.11 -2.89 -0.26 0.00 -0.36 0.00 0.00 55.97 52.35 1t2s s LYS 107 Cb 0.06 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.91 1t2s s LYS 107 CO 0.89 -1.18 0.80 -1.12 -0.36 0.00 0.00 175.35 174.38 1t2s s SER 108 N -0.62 7.30 -0.11 1.43 0.01 -1.07 -1.91 113.70 118.72 1t2s s SER 108 Ca 0.20 1.55 0.02 0.00 1.31 0.00 0.00 55.95 59.03 1t2s s SER 108 Cb -0.18 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 1t2s s SER 108 CO -0.06 0.05 -0.18 0.27 0.41 0.00 0.00 173.24 173.72 1t2s s ILE 109 N -0.29 2.58 -0.27 1.44 -4.36 -0.41 -4.95 121.20 114.94 1t2s s ILE 109 Ca 0.39 -0.83 -0.11 0.00 -0.26 0.00 0.00 60.65 59.84 1t2s s ILE 109 Cb -0.22 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 1t2s s ILE 109 CO 0.25 0.54 0.18 -0.76 0.24 0.00 0.00 174.94 175.39 1t2s s LEU 110 N 0.30 4.03 0.04 0.37 1.02 -1.25 -2.54 118.68 120.64 1t2s s LEU 110 Ca -0.14 0.02 0.06 0.00 0.02 0.00 0.00 54.13 54.09 1t2s s LEU 110 Cb -0.17 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 1t2s s LEU 110 CO 0.07 -0.02 -0.18 -0.76 0.02 0.00 0.00 176.35 175.48 1t2s s LEU 111 N 1.58 2.17 -0.19 1.79 1.43 -1.00 -4.85 118.68 119.60 1t2s s LEU 111 Ca 0.07 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.40 1t2s s LEU 111 Cb -0.15 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1t2s s LEU 111 CO 0.09 0.10 2.07 -2.84 0.23 0.00 0.00 176.35 176.00 1t2s s PRO 112 N -1.15 3.38 0.65 1.29 0.02 -1.26 -0.05 135.00 137.88 1t2s s PRO 112 Ca 0.05 2.00 0.33 0.00 0.02 0.00 0.00 61.00 63.40 1t2s s PRO 112 Cb -0.08 -4.28 1.82 0.00 0.02 0.00 0.00 34.50 31.97 1t2s s PRO 112 CO 0.02 -1.82 2.06 0.97 -0.33 0.00 0.00 177.00 177.90 1t2s h ILE 113 N 6.77 0.12 -0.99 2.83 2.10 -1.93 0.12 117.51 126.53 1t2s h ILE 113 Ca -0.41 0.00 0.15 0.00 1.08 0.00 0.00 64.86 65.68 1t2s h ILE 113 Cb 1.22 0.77 -0.09 0.00 -1.09 0.00 0.00 36.82 37.63 1t2s h ILE 113 CO 0.97 0.00 0.61 -0.08 -1.08 0.00 0.00 178.15 178.57 1t2s h GLU 114 N 0.00 0.85 -0.38 2.19 4.57 -1.95 -2.17 114.58 117.70 1t2s h GLU 114 Ca 0.03 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1t2s h GLU 114 Cb 0.52 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1t2s h GLU 114 CO -0.00 0.56 0.01 1.28 -1.18 0.00 0.00 179.01 179.69 1t2s n LEU 115 N -4.70 4.55 -4.60 1.64 4.32 0.42 -4.51 117.00 114.12 1t2s n LEU 115 Ca 0.20 -3.04 -0.36 0.00 -0.02 0.00 0.00 56.01 52.80 1t2s n LEU 115 Cb 0.44 -0.60 -0.10 0.00 -1.62 0.00 0.00 43.42 41.54 1t2s n LEU 115 CO 0.25 0.69 -0.22 0.00 -1.22 0.00 0.00 177.39 176.89 1t2s s SER 117 N 1.04 3.28 0.17 0.00 0.15 -0.89 -0.25 113.70 117.20 1t2s s SER 117 Ca 0.06 -0.81 -0.30 0.00 0.70 0.00 0.00 55.95 55.60 1t2s s SER 117 Cb -0.14 -1.26 -0.08 0.00 -1.71 0.00 0.00 66.02 62.83 1t2s s SER 117 CO 0.04 -0.12 1.29 -0.63 1.20 0.00 0.00 173.24 175.02 1t2s s ILE 118 N 1.39 3.36 -0.26 6.45 1.01 0.75 0.29 121.20 134.20 1t2s s ILE 118 Ca 0.00 1.09 -0.11 0.00 0.00 0.00 0.00 60.65 61.63 1t2s s ILE 118 Cb -0.15 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1t2s s ILE 118 CO -0.09 0.15 0.19 -0.70 0.00 0.00 0.00 174.94 174.48 1t2s s GLU 119 N 0.14 4.01 0.29 2.79 2.12 -1.19 0.72 118.70 127.58 1t2s s GLU 119 Ca 0.57 -0.27 0.14 0.00 0.36 0.00 0.00 54.97 55.77 1t2s s GLU 119 Cb -0.35 -3.60 0.34 0.00 0.26 0.00 0.00 34.13 30.77 1t2s s GLU 119 CO 0.36 -0.07 1.57 0.93 -0.54 0.00 0.00 175.26 177.51 1t2s h GLU 120 N 7.97 0.00 0.00 4.30 5.08 -1.58 -2.00 114.58 128.35 1t2s h GLU 120 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1t2s h GLU 120 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1t2s h GLU 120 CO 0.60 0.56 0.00 0.78 -1.00 0.00 0.00 179.01 179.96 1t2s h GLY 121 N 2.43 0.00 0.00 -3.84 0.00 -1.83 -3.32 103.07 96.51 1t2s h GLY 121 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1t2s h GLY 121 CO 0.07 0.00 -1.10 -1.61 0.00 0.00 0.00 176.54 173.91 1t2s h GLN 122 N 0.00 0.00 0.00 4.80 5.75 -1.82 -3.51 115.11 120.33 1t2s h GLN 122 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1t2s h GLN 122 Cb 0.71 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.26 1t2s h GLN 122 CO 0.00 0.86 0.00 0.00 -2.65 0.00 0.00 178.83 177.04