#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 3.40 -2.53 4.61 0.00 -1.26 -4.81 120.51 119.93 1t2s n ALA 2 Ca 0.00 -3.11 -0.42 0.00 0.00 0.00 0.00 53.44 49.90 1t2s n ALA 2 Cb 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 1t2s n ALA 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1t2s s MET 3 N -3.71 3.49 -0.57 0.00 -2.45 -1.26 -4.97 119.30 109.84 1t2s s MET 3 Ca 0.35 0.37 -0.28 0.00 -1.25 0.00 0.00 55.69 54.88 1t2s s MET 3 Cb 0.36 -4.03 0.03 0.00 1.25 0.00 0.00 34.83 32.43 1t2s s MET 3 CO -0.02 -1.70 1.24 0.00 1.05 0.00 0.00 175.02 175.59 1t2s s ALA 4 N 5.18 2.97 -0.41 4.11 0.00 -1.26 -3.40 121.76 128.95 1t2s s ALA 4 Ca 0.47 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 1t2s s ALA 4 Cb -0.08 -4.04 0.02 0.00 0.00 0.00 0.00 23.12 19.01 1t2s s ALA 4 CO 0.27 -2.69 0.47 -1.64 0.00 0.00 0.00 175.76 172.17 1t2s s MET 5 N 5.04 3.23 0.26 0.00 -1.94 0.86 -4.81 119.30 121.93 1t2s s MET 5 Ca 0.45 -0.60 -0.28 0.00 -1.71 0.00 0.00 55.69 53.55 1t2s s MET 5 Cb -0.08 -3.93 -0.15 0.00 2.01 0.00 0.00 34.83 32.68 1t2s s MET 5 CO 0.26 -0.83 0.93 -2.30 -0.01 0.00 0.00 175.02 173.07 1t2s n PRO 6 N 5.71 1.10 0.15 2.03 -0.02 -1.26 0.19 135.00 142.90 1t2s n PRO 6 Ca -0.06 0.38 0.05 0.00 -2.02 0.00 0.00 63.50 61.85 1t2s n PRO 6 Cb 0.48 -1.70 0.51 0.00 -0.02 0.00 0.00 33.50 32.77 1t2s n PRO 6 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1t2s h MET 7 N 1.91 0.20 -0.21 -0.52 4.05 -0.68 0.26 114.93 119.94 1t2s h MET 7 Ca -0.38 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 58.91 1t2s h MET 7 Cb 1.36 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.12 1t2s h MET 7 CO 0.61 0.21 -0.30 0.82 0.23 0.00 0.00 176.91 178.47 1t2s h ILE 8 N 0.20 1.33 -0.63 1.77 1.08 -1.80 -2.70 117.51 116.76 1t2s h ILE 8 Ca 0.05 -1.51 0.04 0.00 -0.39 0.00 0.00 64.86 63.05 1t2s h ILE 8 Cb 0.11 1.80 -0.04 0.00 -3.07 0.00 0.00 36.82 35.63 1t2s h ILE 8 CO -0.00 0.47 0.42 -0.08 -0.69 0.00 0.00 178.15 178.26 1t2s h GLU 9 N 0.26 0.70 0.36 2.37 4.57 -1.39 -1.63 114.58 119.82 1t2s h GLU 9 Ca 0.02 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1t2s h GLU 9 Cb 0.88 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1t2s h GLU 9 CO 0.07 0.46 -0.17 -0.92 -1.18 0.00 0.00 179.01 177.27 1t2s h TYR 10 N 0.72 -0.45 -0.19 0.92 3.20 -0.40 -1.56 116.97 119.21 1t2s h TYR 10 Ca 0.26 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1t2s h TYR 10 Cb 0.12 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1t2s h TYR 10 CO -0.00 -0.23 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.10 1t2s h LEU 11 N -0.56 0.28 0.25 2.82 4.07 -1.22 0.65 115.31 121.60 1t2s h LEU 11 Ca -0.05 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 1t2s h LEU 11 Cb 0.42 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1t2s h LEU 11 CO 0.08 0.43 -0.19 -0.33 -1.08 0.00 0.00 178.44 177.35 1t2s h GLU 12 N 0.28 -0.43 0.05 1.13 5.08 -1.07 0.20 114.58 119.83 1t2s h GLU 12 Ca 0.06 0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.21 1t2s h GLU 12 Cb 0.39 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1t2s h GLU 12 CO 0.02 -0.29 -1.09 0.00 -1.00 0.00 0.00 179.01 176.65 1t2s h ARG 13 N -0.45 0.12 0.00 2.33 3.08 -0.95 0.20 114.38 118.72 1t2s h ARG 13 Ca -0.01 -0.21 -0.22 0.00 0.07 0.00 0.00 59.98 59.62 1t2s h ARG 13 Cb 0.40 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1t2s h ARG 13 CO -0.01 1.09 -1.82 1.19 -1.07 0.00 0.00 179.97 179.35 1t2s n PHE 14 N -3.44 0.00 -0.07 3.04 3.72 0.19 -4.45 117.46 116.44 1t2s n PHE 14 Ca -0.04 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.17 1t2s n PHE 14 Cb 0.97 -0.57 -0.13 0.00 -0.94 0.00 0.00 39.48 38.81 1t2s n PHE 14 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1t2s n SER 15 N -2.72 1.96 -0.02 4.37 7.64 -0.23 -4.70 113.62 119.92 1t2s n SER 15 Ca -0.23 0.02 -0.01 0.00 1.01 0.00 0.00 58.87 59.66 1t2s n SER 15 Cb 0.82 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 1t2s n SER 15 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1t2s n LEU 16 N -3.33 0.00 -0.66 -3.43 4.77 0.53 -4.99 117.00 109.89 1t2s n LEU 16 Ca -0.39 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.50 1t2s n LEU 16 Cb 1.02 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 42.16 1t2s n LEU 16 CO 0.34 0.09 -0.08 0.29 -1.33 0.00 0.00 177.39 176.69 1t2s n LYS 17 N -2.04 -0.93 -3.86 3.23 4.76 0.66 -4.98 118.16 115.00 1t2s n LYS 17 Ca -0.06 0.74 -0.09 0.00 -2.87 0.00 0.00 58.31 56.03 1t2s n LYS 17 Cb 0.51 -4.71 -0.07 0.00 -1.84 0.00 0.00 35.03 28.92 1t2s n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2s s ALA 18 N -2.15 -0.22 0.14 7.82 0.00 -0.91 -4.95 121.76 121.48 1t2s s ALA 18 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 51.96 51.06 1t2s s ALA 18 Cb 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 23.12 23.49 1t2s s ALA 18 CO 0.00 -0.49 1.41 0.15 0.00 0.00 0.00 175.76 176.83 1t2s s LYS 19 N -3.69 4.31 -0.03 0.00 1.02 -1.26 -4.24 119.74 115.84 1t2s s LYS 19 Ca 0.04 2.12 -0.30 0.00 0.02 0.00 0.00 55.97 57.85 1t2s s LYS 19 Cb 0.04 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 1t2s s LYS 19 CO -0.10 -0.44 1.00 0.42 -0.92 0.00 0.00 175.35 175.31 1t2s s ILE 20 N 0.94 4.79 0.00 2.17 1.01 -1.26 -4.81 121.20 124.04 1t2s s ILE 20 Ca 0.64 2.01 0.00 0.00 0.00 0.00 0.00 60.65 63.31 1t2s s ILE 20 Cb -0.38 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.80 1t2s s ILE 20 CO 0.32 0.11 0.00 -3.20 0.00 0.00 0.00 174.94 172.17 1t2s n ASN 21 N 4.24 0.00 0.27 3.58 2.85 -1.26 -4.99 115.26 119.96 1t2s n ASN 21 Ca 0.07 -0.19 0.14 0.00 -0.11 0.00 0.00 54.58 54.49 1t2s n ASN 21 Cb 0.50 0.00 0.76 0.00 1.24 0.00 0.00 39.78 42.28 1t2s n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1t2s h ASN 22 N 0.00 0.00 1.74 1.20 7.08 -1.94 -2.56 115.58 121.10 1t2s h ASN 22 Ca 0.00 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.18 1t2s h ASN 22 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1t2s h ASN 22 CO 0.00 0.10 -0.20 0.00 -2.08 0.00 0.00 177.43 175.25 1t2s h THR 23 N 0.00 0.35 -3.51 6.14 1.03 -1.95 -3.42 112.91 111.56 1t2s h THR 23 Ca -0.00 -1.46 -0.62 0.00 -0.01 0.00 0.00 66.41 64.32 1t2s h THR 23 Cb 0.34 2.14 -0.12 0.00 -1.07 0.00 0.00 68.15 69.44 1t2s h THR 23 CO 0.01 0.20 0.16 0.42 -0.01 0.00 0.00 175.52 176.30 1t2s s THR 24 N -3.14 4.95 -1.17 0.00 -4.23 -0.96 -4.98 115.64 106.11 1t2s s THR 24 Ca 0.05 0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 61.47 1t2s s THR 24 Cb 0.06 -3.98 0.24 0.00 1.34 0.00 0.00 72.50 70.17 1t2s s THR 24 CO 0.69 -0.08 1.77 -0.46 -0.54 0.00 0.00 174.62 176.00 1t2s n ASN 25 N 5.83 6.33 -0.28 3.99 6.94 -1.26 -4.65 115.26 132.15 1t2s n ASN 25 Ca -0.01 -3.32 0.12 0.00 -0.02 0.00 0.00 54.58 51.35 1t2s n ASN 25 Cb 0.49 -1.33 0.59 0.00 -2.36 0.00 0.00 39.78 37.16 1t2s n ASN 25 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1t2s n LEU 26 N 1.99 0.87 -0.04 -4.53 7.99 -1.26 -4.00 117.00 118.01 1t2s n LEU 26 Ca 0.38 -0.33 -0.15 0.00 -0.01 0.00 0.00 56.01 55.90 1t2s n LEU 26 Cb 0.32 -0.03 -0.07 0.00 -0.11 0.00 0.00 43.42 43.53 1t2s n LEU 26 CO 0.73 0.16 0.43 -2.24 -1.51 0.00 0.00 177.39 174.96 1t2s h ASP 27 N 1.26 0.63 1.25 -1.43 2.03 -1.83 -0.08 116.42 118.25 1t2s h ASP 27 Ca 0.00 -0.59 -0.04 0.00 -0.73 0.00 0.00 57.03 55.67 1t2s h ASP 27 Cb 0.27 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1t2s h ASP 27 CO 0.00 1.11 -0.18 1.88 -1.03 0.00 0.00 179.24 181.02 1t2s h TYR 28 N 0.18 0.00 0.00 4.15 0.05 -1.87 -3.09 116.97 116.39 1t2s h TYR 28 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1t2s h TYR 28 Cb 1.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.79 1t2s h TYR 28 CO 0.10 0.18 -0.95 0.43 -1.05 0.00 0.00 178.16 176.87 1t2s n SER 29 N -3.24 0.66 0.01 3.88 7.64 -1.16 -4.34 113.62 117.06 1t2s n SER 29 Ca 0.01 -0.39 0.11 0.00 1.01 0.00 0.00 58.87 59.61 1t2s n SER 29 Cb 0.47 0.78 0.54 0.00 -1.01 0.00 0.00 64.21 65.00 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 0.28 0.00 1.43 9.65 -0.92 0.18 114.38 125.01 1t2s h ARG 30 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1t2s h ARG 30 Cb 0.64 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1t2s h ARG 30 CO 0.00 0.19 0.00 0.07 2.80 0.00 0.00 179.97 183.03 1t2s h ARG 31 N 0.29 0.00 -0.01 0.20 -0.00 -1.79 -2.12 114.38 110.95 1t2s h ARG 31 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.18 1t2s h ARG 31 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 1t2s h ARG 31 CO -0.04 0.00 -0.18 1.97 -0.00 0.00 0.00 179.97 181.72 1t2s n PHE 32 N -2.43 0.00 0.35 4.08 -1.74 0.48 -4.00 117.46 114.20 1t2s n PHE 32 Ca 0.02 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.04 1t2s n PHE 32 Cb 0.29 0.00 0.20 0.00 1.52 0.00 0.00 39.48 41.49 1t2s n PHE 32 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1t2s h LEU 33 N 1.65 0.00 -0.59 5.98 3.38 -0.47 -3.34 115.31 121.93 1t2s h LEU 33 Ca 0.00 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1t2s h LEU 33 Cb 0.44 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 1t2s h LEU 33 CO 0.00 0.02 -0.28 -0.33 0.09 0.00 0.00 178.44 177.93 1t2s h GLU 34 N 0.00 -0.12 -0.46 1.13 5.08 -1.58 -0.43 114.58 118.20 1t2s h GLU 34 Ca 0.00 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1t2s h GLU 34 Cb 0.90 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1t2s h GLU 34 CO 0.00 -0.08 0.38 -1.35 -1.00 0.00 0.00 179.01 176.96 1t2s h PRO 35 N -0.13 0.00 0.00 2.33 0.11 -1.84 0.31 132.00 132.78 1t2s h PRO 35 Ca 0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.34 1t2s h PRO 35 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1t2s h PRO 35 CO -0.66 0.00 -0.60 0.35 -0.21 0.00 0.00 178.00 176.88 1t2s h PHE 36 N 0.00 0.00 -0.06 0.65 3.57 -1.35 -3.31 116.94 116.45 1t2s h PHE 36 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1t2s h PHE 36 Cb 0.97 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1t2s h PHE 36 CO 0.00 0.08 0.00 1.28 -2.23 0.00 0.00 178.31 177.44 1t2s n LEU 37 N -2.90 2.58 -4.62 0.59 4.32 0.60 -4.96 117.00 112.61 1t2s n LEU 37 Ca 0.01 -1.06 -0.43 0.00 -0.02 0.00 0.00 56.01 54.51 1t2s n LEU 37 Cb 0.58 -0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 42.33 1t2s n LEU 37 CO 0.38 0.47 1.19 -0.60 -1.22 0.00 0.00 177.39 177.60 1t2s s ARG 38 N -1.49 3.75 0.00 3.23 3.52 0.78 -3.42 118.95 125.32 1t2s s ARG 38 Ca 0.22 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 1t2s s ARG 38 Cb 0.15 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1t2s s ARG 38 CO 0.23 -1.34 0.00 0.41 -0.81 0.00 0.00 175.30 173.79 1t2s n GLY 39 N 4.69 0.53 3.74 8.12 0.00 0.11 -5.03 105.19 117.34 1t2s n GLY 39 Ca 0.16 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.68 2.18 -0.17 -0.61 -4.36 -1.11 -4.90 121.20 109.55 1t2s s ILE 40 Ca 0.00 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 1t2s s ILE 40 Cb 0.00 -2.90 0.01 0.00 1.25 0.00 0.00 42.46 40.82 1t2s s ILE 40 CO 0.00 0.00 -0.19 0.20 0.24 0.00 0.00 174.94 175.19 1t2s s ASN 41 N -3.91 3.23 -0.06 4.36 0.01 -1.26 0.34 114.94 117.65 1t2s s ASN 41 Ca 0.38 -0.61 0.06 0.00 -0.71 0.00 0.00 52.86 51.98 1t2s s ASN 41 Cb 0.04 -1.50 -0.01 0.00 0.41 0.00 0.00 41.25 40.19 1t2s s ASN 41 CO 0.21 0.02 -0.24 0.68 -1.51 0.00 0.00 177.10 176.26 1t2s s VAL 42 N 1.19 1.96 -0.56 1.60 -7.23 0.54 -3.63 120.40 114.27 1t2s s VAL 42 Ca 0.02 -1.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.94 1t2s s VAL 42 Cb -0.14 -1.66 0.04 0.00 0.56 0.00 0.00 36.38 35.18 1t2s s VAL 42 CO -0.09 0.55 0.95 -0.69 -0.31 0.00 0.00 175.10 175.50 1t2s s VAL 43 N -0.09 4.37 -0.48 1.32 1.01 0.11 -0.31 120.40 126.34 1t2s s VAL 43 Ca -0.05 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 1t2s s VAL 43 Cb -0.14 -4.55 0.03 0.00 0.00 0.00 0.00 36.38 31.72 1t2s s VAL 43 CO 0.04 -1.14 1.11 -0.47 0.00 0.00 0.00 175.10 174.64 1t2s s TYR 44 N 3.98 2.81 -0.46 5.22 5.04 0.21 -1.77 117.35 132.39 1t2s s TYR 44 Ca 0.30 0.65 -0.13 0.00 -2.44 0.00 0.00 57.07 55.45 1t2s s TYR 44 Cb -0.13 -4.39 0.08 0.00 0.35 0.00 0.00 41.96 37.87 1t2s s TYR 44 CO 0.19 -1.27 0.36 0.95 -1.34 0.00 0.00 175.55 174.44 1t2s s THR 45 N 4.40 4.91 0.25 4.34 -4.23 -0.48 -1.71 115.64 123.12 1t2s s THR 45 Ca 0.46 -1.23 -0.30 0.00 -1.18 0.00 0.00 61.69 59.45 1t2s s THR 45 Cb -0.07 -3.98 -0.09 0.00 1.34 0.00 0.00 72.50 69.69 1t2s s THR 45 CO 0.31 -0.59 1.20 -2.84 -0.54 0.00 0.00 174.62 172.16 1t2s s PRO 46 N 1.57 4.50 0.36 3.99 0.02 -1.26 -4.84 135.00 139.33 1t2s s PRO 46 Ca 0.04 1.95 -0.27 0.00 0.02 0.00 0.00 61.00 62.73 1t2s s PRO 46 Cb -0.25 -3.18 -0.12 0.00 0.02 0.00 0.00 34.50 30.98 1t2s s PRO 46 CO 0.05 -0.02 1.24 -2.30 -0.33 0.00 0.00 177.00 175.63 1t2s n PRO 47 N 1.67 1.96 0.27 5.54 -0.02 -1.26 -4.81 135.00 138.35 1t2s n PRO 47 Ca 0.02 0.69 0.18 0.00 -2.02 0.00 0.00 63.50 62.36 1t2s n PRO 47 Cb 0.44 -2.27 0.89 0.00 -0.02 0.00 0.00 33.50 32.54 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 2.33 0.00 0.00 -0.52 3.07 -1.94 0.22 115.11 118.27 1t2s h GLN 48 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.28 1t2s h GLN 48 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.85 1t2s h GLN 48 CO 0.61 0.00 -0.03 1.03 0.09 0.00 0.00 178.83 180.54 1t2s h SER 49 N 0.00 0.00 1.15 0.06 0.87 -1.89 -1.88 113.55 111.86 1t2s h SER 49 Ca 0.05 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.43 1t2s h SER 49 Cb 0.54 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1t2s h SER 49 CO -0.00 0.03 -0.86 -0.26 -0.53 0.00 0.00 176.83 175.21 1t2s h PHE 50 N 0.00 0.00 -1.17 2.24 -1.00 -0.88 -3.47 116.94 112.66 1t2s h PHE 50 Ca -0.00 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.40 1t2s h PHE 50 Cb 0.41 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.84 1t2s h PHE 50 CO 0.00 0.84 -0.37 1.04 -1.61 0.00 0.00 178.31 178.21 1t2s n GLN 51 N -3.30 -1.34 -3.46 1.51 6.02 -0.71 -4.98 117.38 111.12 1t2s n GLN 51 Ca 0.00 1.13 -0.34 0.00 -0.01 0.00 0.00 57.00 57.78 1t2s n GLN 51 Cb 0.88 -5.46 -0.05 0.00 1.02 0.00 0.00 30.24 26.62 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 -2.70 6.69 0.24 1.08 0.01 -1.26 -5.07 113.70 112.68 1t2s s SER 52 Ca 0.00 0.91 -0.24 0.00 1.31 0.00 0.00 55.95 57.93 1t2s s SER 52 Cb 0.00 -2.22 -0.09 0.00 0.21 0.00 0.00 66.02 63.92 1t2s s SER 52 CO 0.00 0.07 0.83 0.00 0.41 0.00 0.00 173.24 174.55 1t2s s ALA 53 N -1.56 3.35 0.24 1.44 0.00 -1.26 -4.58 121.76 119.38 1t2s s ALA 53 Ca 0.39 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1t2s s ALA 53 Cb -0.13 -3.02 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 1t2s s ALA 53 CO 0.20 0.26 1.39 -1.25 0.00 0.00 0.00 175.76 176.35 1t2s s PRO 54 N -1.70 4.31 -0.02 0.00 0.04 -1.26 -4.76 135.00 131.61 1t2s s PRO 54 Ca 0.43 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.70 1t2s s PRO 54 Cb -0.20 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.21 1t2s s PRO 54 CO 0.24 -0.35 -0.06 0.50 0.04 0.00 0.00 177.00 177.38 1t2s s ARG 55 N -0.36 0.71 0.03 4.56 6.06 -0.69 -4.94 118.95 124.32 1t2s s ARG 55 Ca 0.58 -0.19 -0.25 0.00 -2.50 0.00 0.00 55.73 53.37 1t2s s ARG 55 Cb -0.40 -0.70 -0.05 0.00 0.06 0.00 0.00 34.95 33.86 1t2s s ARG 55 CO 0.42 0.04 0.77 0.08 -2.50 0.00 0.00 175.30 174.11 1t2s s VAL 56 N 0.34 4.77 0.03 7.11 1.01 -1.26 -0.62 120.40 131.79 1t2s s VAL 56 Ca -0.04 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.60 1t2s s VAL 56 Cb -0.09 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1t2s s VAL 56 CO 0.00 0.35 -0.10 -0.31 0.00 0.00 0.00 175.10 175.03 1t2s s TYR 57 N 0.07 0.91 -0.14 5.22 2.02 0.58 -4.95 117.35 121.05 1t2s s TYR 57 Ca 0.39 -0.35 -0.22 0.00 -0.37 0.00 0.00 57.07 56.52 1t2s s TYR 57 Cb -0.20 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1t2s s TYR 57 CO 0.23 -0.01 0.66 0.50 -1.57 0.00 0.00 175.55 175.35 1t2s s ARG 58 N -1.09 4.31 -0.27 -0.62 3.52 -1.26 -0.34 118.95 123.20 1t2s s ARG 58 Ca -0.02 0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 56.01 1t2s s ARG 58 Cb -0.07 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1t2s s ARG 58 CO 0.01 -0.10 1.21 0.08 -0.81 0.00 0.00 175.30 175.68 1t2s s VAL 59 N 1.43 4.31 0.09 7.11 1.01 0.15 -3.99 120.40 130.51 1t2s s VAL 59 Ca 0.32 1.52 -0.00 0.00 0.00 0.00 0.00 61.98 63.82 1t2s s VAL 59 Cb -0.16 -4.21 -0.26 0.00 0.00 0.00 0.00 36.38 31.75 1t2s s VAL 59 CO 0.13 -0.39 1.18 -1.13 0.00 0.00 0.00 175.10 174.89 1t2s h ASN 60 N 8.59 0.28 0.00 3.32 -0.00 -1.72 0.31 115.58 126.36 1t2s h ASN 60 Ca -0.24 -0.30 0.00 0.00 -0.00 0.00 0.00 56.30 55.76 1t2s h ASN 60 Cb 1.09 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 39.31 1t2s h ASN 60 CO 1.02 1.24 0.00 0.61 -0.00 0.00 0.00 177.43 180.29 1t2s n GLY 61 N 1.47 -0.66 3.32 1.57 0.00 -1.08 -4.35 105.19 105.47 1t2s n GLY 61 Ca -0.06 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 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 2.50 0.39 0.99 1.43 -1.26 -0.64 118.68 122.09 1t2s s LEU 62 Ca 0.00 -1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 51.97 1t2s s LEU 62 Cb 0.00 -0.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 1t2s s LEU 62 CO 0.00 -0.28 0.71 -0.55 0.23 0.00 0.00 176.35 176.46 1t2s s SER 63 N -3.28 6.42 0.00 2.29 0.15 0.54 -4.70 113.70 115.12 1t2s s SER 63 Ca 0.22 0.94 0.30 0.00 0.70 0.00 0.00 55.95 58.12 1t2s s SER 63 Cb 0.02 -2.25 1.46 0.00 -1.71 0.00 0.00 66.02 63.54 1t2s s SER 63 CO 0.06 -0.39 2.03 -1.14 1.20 0.00 0.00 173.24 174.99 1t2s n ARG 64 N -1.49 0.35 -4.43 5.44 3.00 -1.26 -4.27 116.66 114.01 1t2s n ARG 64 Ca 0.01 -0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1t2s n ARG 64 Cb 0.54 -1.50 -0.16 0.00 0.00 0.00 0.00 32.46 31.34 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 -2.65 2.29 1.06 5.13 0.00 -1.26 -5.03 121.76 121.30 1t2s s ALA 65 Ca 0.26 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 1t2s s ALA 65 Cb 0.20 -1.09 0.23 0.00 0.00 0.00 0.00 23.12 22.46 1t2s s ALA 65 CO 0.48 -0.17 1.08 -1.25 0.00 0.00 0.00 175.76 175.90 1t2s s PRO 66 N 1.02 -0.12 0.27 0.00 0.04 -1.26 -2.95 135.00 132.01 1t2s s PRO 66 Ca -0.02 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.25 1t2s s PRO 66 Cb -0.14 -1.62 0.59 0.00 0.04 0.00 0.00 34.50 33.37 1t2s s PRO 66 CO -0.07 -3.30 1.76 0.00 0.04 0.00 0.00 177.00 175.44 1t2s h ALA 67 N -2.34 1.37 -0.00 8.56 0.00 -0.30 0.41 119.26 126.96 1t2s h ALA 67 Ca -0.53 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1t2s h ALA 67 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1t2s h ALA 67 CO 0.45 -0.11 -0.04 -1.13 0.00 0.00 0.00 179.25 178.43 1t2s n SER 68 N -4.87 0.18 -0.01 0.00 3.41 -0.66 -2.01 113.62 109.67 1t2s n SER 68 Ca 0.19 -0.40 0.05 0.00 -0.26 0.00 0.00 58.87 58.45 1t2s n SER 68 Cb 0.48 -0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 1t2s n SER 68 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1t2s n SER 69 N -1.13 2.58 -4.72 4.04 7.64 0.11 -4.94 113.62 117.20 1t2s n SER 69 Ca 0.15 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.65 1t2s n SER 69 Cb 0.24 1.47 -0.05 0.00 -1.01 0.00 0.00 64.21 64.86 1t2s n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1t2s s GLU 70 N -2.73 4.38 0.02 1.43 2.56 0.75 -4.86 118.70 120.25 1t2s s GLU 70 Ca -0.04 0.67 0.07 0.00 0.00 0.00 0.00 54.97 55.67 1t2s s GLU 70 Cb 0.07 -3.43 -0.03 0.00 2.00 0.00 0.00 34.13 32.73 1t2s s GLU 70 CO 0.44 0.13 -0.19 0.95 -0.56 0.00 0.00 175.26 176.03 1t2s s THR 71 N 0.65 2.73 0.02 -1.70 -4.23 -1.26 -1.50 115.64 110.35 1t2s s THR 71 Ca 0.32 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1t2s s THR 71 Cb -0.17 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 1t2s s THR 71 CO 0.14 0.40 -0.04 0.72 -0.54 0.00 0.00 174.62 175.30 1t2s s PHE 72 N -0.86 0.37 -0.53 3.99 -0.71 0.07 -4.96 117.98 115.36 1t2s s PHE 72 Ca 0.13 -0.30 -0.26 0.00 -1.04 0.00 0.00 56.93 55.46 1t2s s PHE 72 Cb -0.10 -0.24 0.03 0.00 -1.21 0.00 0.00 43.02 41.50 1t2s s PHE 72 CO 0.04 -0.07 1.04 -2.00 -1.34 0.00 0.00 175.22 172.88 1t2s s GLU 73 N -0.85 3.49 -0.69 1.99 2.12 -1.26 -1.13 118.70 122.37 1t2s s GLU 73 Ca -0.06 0.11 -0.12 0.00 0.36 0.00 0.00 54.97 55.27 1t2s s GLU 73 Cb -0.06 -3.99 0.18 0.00 0.26 0.00 0.00 34.13 30.52 1t2s s GLU 73 CO -0.00 -1.46 0.61 -1.58 -0.54 0.00 0.00 175.26 172.29 1t2s s HIS 74 N 4.26 3.57 -1.13 5.30 5.65 0.17 -4.65 115.29 128.46 1t2s s HIS 74 Ca 0.38 -2.00 -0.06 0.00 0.25 0.00 0.00 55.06 53.64 1t2s s HIS 74 Cb -0.10 -3.66 -0.04 0.00 -1.18 0.00 0.00 32.58 27.61 1t2s s HIS 74 CO 0.25 -0.97 0.90 -0.25 -0.65 0.00 0.00 174.74 174.02 1t2s n ASP 75 N 4.22 -4.69 0.00 9.88 9.92 -1.26 -2.68 116.55 131.94 1t2s n ASP 75 Ca 0.05 -0.74 0.00 0.00 -0.53 0.00 0.00 54.79 53.57 1t2s n ASP 75 Cb 0.43 -4.82 0.00 0.00 -0.64 0.00 0.00 41.12 36.09 1t2s n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t2s n GLY 76 N -1.31 3.08 3.35 0.44 0.00 -1.26 -5.00 105.19 104.48 1t2s n GLY 76 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.53 3.41 -0.83 1.61 -0.14 -1.09 -5.05 119.74 117.12 1t2s s LYS 77 Ca 0.00 -0.63 -0.26 0.00 -1.36 0.00 0.00 55.97 53.73 1t2s s LYS 77 Cb 0.00 -2.91 0.03 0.00 -1.68 0.00 0.00 37.83 33.27 1t2s s LYS 77 CO 0.00 -0.05 1.36 0.15 -0.76 0.00 0.00 175.35 176.05 1t2s s LYS 78 N 1.08 3.29 0.06 1.68 1.02 -1.26 0.46 119.74 126.07 1t2s s LYS 78 Ca 0.01 -0.49 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 1t2s s LYS 78 Cb -0.15 -4.57 -0.05 0.00 -0.52 0.00 0.00 37.83 32.54 1t2s s LYS 78 CO -0.01 -2.21 0.28 0.14 -0.92 0.00 0.00 175.35 172.63 1t2s s VAL 79 N 5.69 5.29 0.58 3.17 -7.23 -0.29 -4.79 120.40 122.82 1t2s s VAL 79 Ca 0.40 -0.03 -0.14 0.00 -1.81 0.00 0.00 61.98 60.40 1t2s s VAL 79 Cb -0.06 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.24 1t2s s VAL 79 CO 0.07 0.21 1.02 0.42 -0.31 0.00 0.00 175.10 176.51 1t2s s THR 80 N -1.46 4.38 0.23 5.32 -4.23 -1.26 -0.75 115.64 117.87 1t2s s THR 80 Ca 0.33 0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 61.77 1t2s s THR 80 Cb -0.13 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.24 1t2s s THR 80 CO 0.22 -0.80 1.77 0.40 -0.54 0.00 0.00 174.62 175.67 1t2s h ILE 81 N 0.29 0.81 -0.58 2.99 1.08 -0.73 -0.80 117.51 120.57 1t2s h ILE 81 Ca -0.46 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.80 1t2s h ILE 81 Cb 1.20 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 1t2s h ILE 81 CO 0.60 0.10 0.29 0.00 -0.69 0.00 0.00 178.15 178.46 1t2s h ALA 82 N 1.45 0.74 -0.62 1.87 0.00 -1.69 -2.81 119.26 118.21 1t2s h ALA 82 Ca 0.36 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1t2s h ALA 82 Cb 0.42 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1t2s h ALA 82 CO -0.30 0.28 0.09 1.03 0.00 0.00 0.00 179.25 180.36 1t2s h SER 83 N 0.78 0.96 -0.08 0.00 0.87 -1.52 0.11 113.55 114.67 1t2s h SER 83 Ca 0.20 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1t2s h SER 83 Cb 0.09 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1t2s h SER 83 CO -0.03 0.96 0.03 0.22 -0.53 0.00 0.00 176.83 177.49 1t2s h TYR 84 N 0.94 0.12 -0.38 2.24 3.20 -1.03 -1.55 116.97 120.51 1t2s h TYR 84 Ca 0.19 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 1t2s h TYR 84 Cb 0.42 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1t2s h TYR 84 CO 0.03 0.22 -0.21 0.74 -1.64 0.00 0.00 178.16 177.29 1t2s h PHE 85 N -0.02 0.84 -0.53 -3.82 -1.00 -1.38 -3.06 116.94 107.97 1t2s h PHE 85 Ca 0.03 -0.18 0.05 0.00 2.81 0.00 0.00 57.97 60.67 1t2s h PHE 85 Cb 0.15 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 39.46 1t2s h PHE 85 CO -0.02 0.89 0.26 1.25 -1.61 0.00 0.00 178.31 179.07 1t2s h HIS 86 N 0.65 0.46 0.00 -0.55 2.76 -0.49 -0.20 115.15 117.79 1t2s h HIS 86 Ca 0.09 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1t2s h HIS 86 Cb 0.71 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.53 1t2s h HIS 86 CO 0.04 0.21 -0.11 0.77 -1.30 0.00 0.00 177.93 177.54 1t2s h SER 87 N 0.49 0.00 -0.36 3.26 0.02 -1.20 -2.59 113.55 113.17 1t2s h SER 87 Ca 0.24 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.02 1t2s h SER 87 Cb 0.17 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.61 1t2s h SER 87 CO -0.18 0.11 0.21 0.54 -1.14 0.00 0.00 176.83 176.37 1t2s n ARG 88 N -3.69 1.67 -1.11 3.45 3.00 -0.11 -4.81 116.66 115.05 1t2s n ARG 88 Ca -0.02 -1.18 -0.04 0.00 -0.01 0.00 0.00 57.85 56.60 1t2s n ARG 88 Cb 0.22 -1.52 -0.02 0.00 0.00 0.00 0.00 32.46 31.14 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 -0.07 -4.34 -3.88 0.55 3.02 -0.98 -4.73 115.26 104.84 1t2s n ASN 89 Ca 0.21 0.10 -0.30 0.00 -0.03 0.00 0.00 54.58 54.55 1t2s n ASN 89 Cb 0.90 -2.18 -0.15 0.00 -0.61 0.00 0.00 39.78 37.74 1t2s n ASN 89 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1t2s s TYR 90 N -1.86 2.82 -0.41 3.10 5.04 -1.05 -5.05 117.35 119.93 1t2s s TYR 90 Ca 0.00 -2.52 -0.29 0.00 -2.44 0.00 0.00 57.07 51.82 1t2s s TYR 90 Cb 0.00 -2.39 0.02 0.00 0.35 0.00 0.00 41.96 39.94 1t2s s TYR 90 CO 0.00 -0.89 1.10 -1.25 -1.34 0.00 0.00 175.55 173.17 1t2s s PRO 91 N 0.99 3.85 0.24 4.97 0.04 -1.26 -2.89 135.00 140.94 1t2s s PRO 91 Ca 0.12 0.75 -0.31 0.00 0.04 0.00 0.00 61.00 61.59 1t2s s PRO 91 Cb -0.20 -3.84 -0.13 0.00 0.04 0.00 0.00 34.50 30.38 1t2s s PRO 91 CO -0.12 -1.18 1.54 1.28 0.04 0.00 0.00 177.00 178.56 1t2s n LEU 92 N 7.41 3.60 0.07 -3.56 4.77 -1.26 -4.90 117.00 123.13 1t2s n LEU 92 Ca 0.12 1.12 -0.08 0.00 -0.03 0.00 0.00 56.01 57.14 1t2s n LEU 92 Cb 0.48 -1.50 -0.12 0.00 -2.33 0.00 0.00 43.42 39.96 1t2s n LEU 92 CO 0.66 -0.17 0.12 0.11 -1.33 0.00 0.00 177.39 176.78 1t2s h LYS 93 N 5.04 0.04 -2.01 3.23 1.57 -2.02 -3.37 116.57 119.05 1t2s h LYS 93 Ca -0.45 -0.07 -0.52 0.00 -1.87 0.00 0.00 60.65 57.74 1t2s h LYS 93 Cb 1.25 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 33.19 1t2s h LYS 93 CO 0.82 1.03 -1.14 1.19 -0.57 0.00 0.00 179.45 180.77 1t2s n PHE 94 N -3.39 0.09 0.74 -1.35 3.01 -1.26 -4.66 117.46 110.64 1t2s n PHE 94 Ca -0.01 -3.72 0.08 0.00 1.01 0.00 0.00 57.45 54.80 1t2s n PHE 94 Cb 0.95 -0.39 0.40 0.00 -0.01 0.00 0.00 39.48 40.42 1t2s n PHE 94 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1t2s n PRO 95 N 0.74 0.20 -0.00 -1.08 -0.04 -1.26 -1.92 135.00 131.64 1t2s n PRO 95 Ca 0.24 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1t2s n PRO 95 Cb 0.60 -1.50 0.75 0.00 -0.04 0.00 0.00 33.50 33.31 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 -1.32 1.06 -2.84 0.54 1.13 -1.26 -1.19 117.38 113.50 1t2s n GLN 96 Ca 0.07 -0.08 -0.40 0.00 -1.94 0.00 0.00 57.00 54.64 1t2s n GLN 96 Cb 0.14 -1.41 -0.05 0.00 0.11 0.00 0.00 30.24 29.03 1t2s n GLN 96 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1t2s s LEU 97 N -1.82 4.50 0.20 1.08 1.43 -0.81 -4.61 118.68 118.65 1t2s s LEU 97 Ca 0.39 1.68 -0.33 0.00 -1.03 0.00 0.00 54.13 54.84 1t2s s LEU 97 Cb 0.18 -3.45 -0.14 0.00 0.03 0.00 0.00 46.19 42.82 1t2s s LEU 97 CO 0.30 -0.00 1.47 1.41 0.23 0.00 0.00 176.35 179.76 1t2s n HIS 98 N 2.62 2.16 -1.82 0.29 8.25 -1.26 -1.75 115.22 123.70 1t2s n HIS 98 Ca -0.00 0.38 -0.40 0.00 -0.26 0.00 0.00 57.72 57.44 1t2s n HIS 98 Cb 0.49 -2.48 0.02 0.00 1.12 0.00 0.00 29.99 29.14 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 -2.69 4.21 -0.71 0.00 2.96 0.17 -0.34 118.68 122.27 1t2s s LEU 100 Ca 0.61 1.69 -0.19 0.00 -0.22 0.00 0.00 54.13 56.01 1t2s s LEU 100 Cb -0.43 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 42.83 1t2s s LEU 100 CO 0.56 -0.68 0.87 0.21 -1.32 0.00 0.00 176.35 175.99 1t2s s ASN 101 N 1.69 6.35 0.00 3.68 2.47 0.18 -1.69 114.94 127.62 1t2s s ASN 101 Ca 0.53 -1.61 0.00 0.00 0.42 0.00 0.00 52.86 52.20 1t2s s ASN 101 Cb -0.22 -2.34 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1t2s s ASN 101 CO 0.16 -1.12 0.00 1.33 -3.72 0.00 0.00 177.10 173.75 1t2s n VAL 102 N 5.46 0.00 0.00 -5.21 0.24 -0.63 -2.10 118.33 116.10 1t2s n VAL 102 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1t2s n VAL 102 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 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 3.18 1.57 3.63 7.63 0.00 -1.26 -1.70 105.19 118.25 1t2s n GLY 103 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 0.46 0.08 1.61 1.04 -0.68 -4.76 113.70 107.46 1t2s s SER 104 Ca 0.00 -1.28 0.14 0.00 0.48 0.00 0.00 55.95 55.29 1t2s s SER 104 Cb 0.00 0.73 -0.13 0.00 0.10 0.00 0.00 66.02 66.72 1t2s s SER 104 CO 0.00 -1.43 0.95 0.28 0.98 0.00 0.00 173.24 174.02 1t2s h SER 105 N 2.08 0.00 0.66 7.02 0.02 -2.00 -3.07 113.55 118.26 1t2s h SER 105 Ca -0.29 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.40 1t2s h SER 105 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1t2s h SER 105 CO 0.39 0.70 -1.19 0.16 -1.14 0.00 0.00 176.83 175.75 1t2s h ILE 106 N 0.00 1.52 -3.06 3.27 3.07 -1.99 -3.40 117.51 116.92 1t2s h ILE 106 Ca -0.14 -3.06 -0.61 0.00 1.55 0.00 0.00 64.86 62.60 1t2s h ILE 106 Cb 1.66 2.89 -0.40 0.00 -0.27 0.00 0.00 36.82 40.70 1t2s h ILE 106 CO 0.07 0.89 -0.74 -0.75 -1.05 0.00 0.00 178.15 176.57 1t2s s LYS 107 N -2.71 1.18 -0.05 0.16 2.20 -1.25 -5.11 119.74 114.16 1t2s s LYS 107 Ca -0.03 -1.81 -0.24 0.00 -0.36 0.00 0.00 55.97 53.53 1t2s s LYS 107 Cb 0.08 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 1t2s s LYS 107 CO 0.87 -1.11 0.71 -1.54 -0.36 0.00 0.00 175.35 173.92 1t2s s SER 108 N 0.64 7.02 -0.10 1.43 1.04 -1.16 -1.68 113.70 120.89 1t2s s SER 108 Ca 0.16 1.23 0.03 0.00 0.48 0.00 0.00 55.95 57.84 1t2s s SER 108 Cb -0.23 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 1t2s s SER 108 CO -0.05 -0.10 -0.20 0.27 0.98 0.00 0.00 173.24 174.14 1t2s s ILE 109 N 0.69 2.44 -0.25 -1.02 -4.36 -0.69 -4.97 121.20 113.05 1t2s s ILE 109 Ca 0.38 -0.89 -0.08 0.00 -0.26 0.00 0.00 60.65 59.80 1t2s s ILE 109 Cb -0.18 -1.96 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 1t2s s ILE 109 CO 0.19 0.55 0.08 -0.76 0.24 0.00 0.00 174.94 175.24 1t2s s LEU 110 N 0.21 3.51 0.09 0.37 1.43 -1.25 -1.60 118.68 121.45 1t2s s LEU 110 Ca -0.12 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1t2s s LEU 110 Cb -0.16 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1t2s s LEU 110 CO 0.07 -0.02 -0.16 -0.76 0.23 0.00 0.00 176.35 175.70 1t2s s LEU 111 N 1.52 2.31 -0.37 1.79 1.43 -0.68 -4.81 118.68 119.86 1t2s s LEU 111 Ca 0.06 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 1t2s s LEU 111 Cb -0.15 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.34 1t2s s LEU 111 CO 0.04 -0.04 2.31 -2.65 0.23 0.00 0.00 176.35 176.24 1t2s n PRO 112 N 1.05 1.39 0.32 1.29 -0.02 -1.26 -0.65 135.00 137.11 1t2s n PRO 112 Ca -0.19 0.28 0.20 0.00 -2.02 0.00 0.00 63.50 61.77 1t2s n PRO 112 Cb 0.55 -3.08 1.09 0.00 -0.02 0.00 0.00 33.50 32.04 1t2s n PRO 112 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1t2s h ILE 113 N 7.37 0.18 -0.66 4.25 2.10 -1.94 0.20 117.51 129.01 1t2s h ILE 113 Ca -0.31 0.00 0.10 0.00 1.08 0.00 0.00 64.86 65.73 1t2s h ILE 113 Cb 1.27 0.97 -0.04 0.00 -1.09 0.00 0.00 36.82 37.93 1t2s h ILE 113 CO 1.06 0.00 0.44 -0.08 -1.08 0.00 0.00 178.15 178.49 1t2s h GLU 114 N 0.00 0.46 -0.68 2.19 4.81 -1.95 -1.61 114.58 117.80 1t2s h GLU 114 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1t2s h GLU 114 Cb 0.07 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1t2s h GLU 114 CO -0.00 0.31 0.00 1.28 -0.73 0.00 0.00 179.01 179.87 1t2s n LEU 115 N -4.48 3.91 -4.80 1.64 4.77 0.68 -4.65 117.00 114.08 1t2s n LEU 115 Ca 0.11 -1.96 -0.31 0.00 -0.03 0.00 0.00 56.01 53.82 1t2s n LEU 115 Cb 0.38 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1t2s n LEU 115 CO 0.33 0.88 -0.25 0.00 -1.33 0.00 0.00 177.39 177.03 1t2s s SER 117 N -2.31 0.32 0.14 0.00 0.15 -0.73 -0.07 113.70 111.20 1t2s s SER 117 Ca 0.29 -0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.72 1t2s s SER 117 Cb -0.12 -0.12 -0.07 0.00 -1.71 0.00 0.00 66.02 63.99 1t2s s SER 117 CO 0.22 -0.04 0.64 -0.63 1.20 0.00 0.00 173.24 174.63 1t2s s ILE 118 N 0.53 4.65 -0.20 6.45 1.01 0.13 0.08 121.20 133.85 1t2s s ILE 118 Ca -0.05 1.26 -0.19 0.00 0.00 0.00 0.00 60.65 61.67 1t2s s ILE 118 Cb -0.08 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1t2s s ILE 118 CO -0.01 0.41 0.53 -0.70 0.00 0.00 0.00 174.94 175.17 1t2s s GLU 119 N -1.48 4.18 0.49 2.79 2.12 -1.24 -0.10 118.70 125.47 1t2s s GLU 119 Ca 0.35 0.43 0.24 0.00 0.36 0.00 0.00 54.97 56.35 1t2s s GLU 119 Cb -0.19 -3.57 1.29 0.00 0.26 0.00 0.00 34.13 31.93 1t2s s GLU 119 CO 0.21 -0.17 1.91 1.05 -0.54 0.00 0.00 175.26 177.72 1t2s h GLU 120 N 7.50 0.16 0.00 4.30 4.11 -1.91 -1.59 114.58 127.15 1t2s h GLU 120 Ca -0.33 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.09 1t2s h GLU 120 Cb 1.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1t2s h GLU 120 CO 0.74 0.11 0.00 0.41 0.07 0.00 0.00 179.01 180.34 1t2s n GLY 121 N -1.62 -1.29 0.13 1.06 0.00 -1.26 -2.81 105.19 99.40 1t2s n GLY 121 Ca 0.16 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1t2s n GLY 121 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1t2s h GLN 122 N 0.00 0.00 -0.01 1.61 3.07 -1.70 -3.54 115.11 114.53 1t2s h GLN 122 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1t2s h GLN 122 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 1t2s h GLN 122 CO 0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.83 178.93