#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uea s THR 2 N 0.00 -0.01 0.12 0.00 -1.32 -1.26 -4.93 115.64 108.25 1uea s THR 2 Ca 0.00 0.02 -0.23 0.00 -1.21 0.00 0.00 61.69 60.27 1uea s THR 2 Cb 0.00 -0.23 0.07 0.00 -1.51 0.00 0.00 72.50 70.82 1uea s THR 2 CO 0.00 0.01 0.59 0.00 -2.21 0.00 0.00 174.62 173.01 1uea s VAL 4 N -3.36 4.88 0.68 0.00 0.11 -1.26 -5.03 120.40 116.42 1uea s VAL 4 Ca -0.01 1.55 -0.17 0.00 -2.93 0.00 0.00 61.98 60.43 1uea s VAL 4 Cb -0.01 -4.11 0.01 0.00 -1.53 0.00 0.00 36.38 30.75 1uea s VAL 4 CO -0.09 0.00 1.23 -2.16 -3.33 0.00 0.00 175.10 170.75 1uea s PRO 5 N 2.35 2.46 0.02 1.54 0.04 -1.26 -4.99 135.00 135.16 1uea s PRO 5 Ca 0.36 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 63.15 1uea s PRO 5 Cb -0.16 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1uea s PRO 5 CO 0.10 -1.61 0.32 -1.25 0.04 0.00 0.00 177.00 174.60 1uea s PRO 6 N -3.65 3.66 0.68 0.56 0.04 -1.26 -5.03 135.00 130.00 1uea s PRO 6 Ca 0.77 0.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.70 1uea s PRO 6 Cb -0.31 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1uea s PRO 6 CO 0.41 0.63 1.18 -1.58 0.04 0.00 0.00 177.00 177.68 1uea s HIS 7 N -1.29 2.30 0.23 0.56 5.65 -1.26 -4.79 115.29 116.68 1uea s HIS 7 Ca 0.28 1.57 -0.06 0.00 0.25 0.00 0.00 55.06 57.10 1uea s HIS 7 Cb -0.14 -3.38 0.33 0.00 -1.18 0.00 0.00 32.58 28.22 1uea s HIS 7 CO 0.16 -2.24 1.80 -1.35 -0.65 0.00 0.00 174.74 172.46 1uea h PRO 8 N 0.06 0.70 0.02 2.88 0.11 -1.96 -1.10 132.00 132.71 1uea h PRO 8 Ca -0.48 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.61 1uea h PRO 8 Cb 1.28 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1uea h PRO 8 CO 0.52 0.46 -0.19 0.37 -0.21 0.00 0.00 178.00 178.95 1uea h GLN 9 N 0.72 -0.30 0.00 1.05 4.15 -1.91 0.31 115.11 119.13 1uea h GLN 9 Ca 0.36 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.78 1uea h GLN 9 Cb 0.31 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1uea h GLN 9 CO -0.23 -0.20 -0.09 0.00 -1.93 0.00 0.00 178.83 176.37 1uea h THR 10 N -0.31 0.94 -0.18 2.39 1.03 -1.85 0.44 112.91 115.38 1uea h THR 10 Ca 0.05 -0.33 -0.06 0.00 -0.01 0.00 0.00 66.41 66.06 1uea h THR 10 Cb 0.38 1.19 -0.00 0.00 -1.07 0.00 0.00 68.15 68.64 1uea h THR 10 CO -0.17 0.09 -0.10 0.00 -0.01 0.00 0.00 175.52 175.33 1uea h ALA 11 N 1.91 0.25 -0.28 0.00 0.00 -0.01 -2.29 119.26 118.84 1uea h ALA 11 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1uea h ALA 11 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1uea h ALA 11 CO 0.01 0.09 0.16 0.35 0.00 0.00 0.00 179.25 179.87 1uea h PHE 12 N 0.06 0.37 -0.28 0.00 3.04 -0.27 -2.22 116.94 117.63 1uea h PHE 12 Ca 0.04 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 1uea h PHE 12 Cb 0.60 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 1uea h PHE 12 CO 0.07 0.29 -0.19 0.00 -2.02 0.00 0.00 178.31 176.46 1uea n ASN 14 N -4.16 0.73 -4.89 0.00 3.02 -0.86 -4.93 115.26 104.16 1uea n ASN 14 Ca 0.00 -0.59 -0.29 0.00 -0.03 0.00 0.00 54.58 53.67 1uea n ASN 14 Cb 0.37 0.64 0.04 0.00 -0.61 0.00 0.00 39.78 40.22 1uea n ASN 14 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1uea s SER 15 N -3.07 5.44 -0.21 6.41 0.01 -0.84 -4.93 113.70 116.51 1uea s SER 15 Ca 0.09 1.00 0.14 0.00 1.31 0.00 0.00 55.95 58.49 1uea s SER 15 Cb 0.17 -1.83 -0.23 0.00 0.21 0.00 0.00 66.02 64.33 1uea s SER 15 CO 0.79 -1.29 0.01 0.47 0.41 0.00 0.00 173.24 173.63 1uea n ASP 16 N -2.90 0.49 -3.99 2.44 8.00 -0.14 -4.92 116.55 115.53 1uea n ASP 16 Ca 0.06 -0.03 -0.27 0.00 0.71 0.00 0.00 54.79 55.27 1uea n ASP 16 Cb 0.57 0.64 -0.17 0.00 -0.02 0.00 0.00 41.12 42.15 1uea n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1uea s LEU 17 N -5.75 1.51 -0.28 0.64 1.02 -1.15 -3.66 118.68 111.01 1uea s LEU 17 Ca -0.16 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 53.67 1uea s LEU 17 Cb 0.07 -0.93 0.08 0.00 0.02 0.00 0.00 46.19 45.42 1uea s LEU 17 CO 0.78 -0.03 -0.03 -0.69 0.02 0.00 0.00 176.35 176.39 1uea s VAL 18 N 1.19 1.99 0.47 -1.59 1.01 -0.54 -1.82 120.40 121.10 1uea s VAL 18 Ca -0.04 -1.76 0.03 0.00 0.00 0.00 0.00 61.98 60.20 1uea s VAL 18 Cb -0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1uea s VAL 18 CO -0.03 -0.27 0.09 2.30 0.00 0.00 0.00 175.10 177.19 1uea n ILE 19 N 4.45 0.00 -3.88 2.22 -5.35 -0.33 -0.41 119.36 116.06 1uea n ILE 19 Ca -0.07 -2.49 -0.26 0.00 -0.27 0.00 0.00 62.75 59.66 1uea n ILE 19 Cb 0.42 0.74 -0.17 0.00 -1.74 0.00 0.00 39.64 38.90 1uea n ILE 19 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1uea s ARG 20 N -3.73 1.33 0.25 6.28 3.52 -0.53 -1.28 118.95 124.79 1uea s ARG 20 Ca 0.13 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 1uea s ARG 20 Cb 0.01 -1.56 -0.04 0.00 -1.56 0.00 0.00 34.95 31.80 1uea s ARG 20 CO 0.09 -0.31 0.17 0.00 -0.81 0.00 0.00 175.30 174.45 1uea s ALA 21 N 1.75 1.49 -0.10 6.12 0.00 0.24 -0.71 121.76 130.55 1uea s ALA 21 Ca 0.04 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1uea s ALA 21 Cb -0.13 1.36 -0.02 0.00 0.00 0.00 0.00 23.12 24.34 1uea s ALA 21 CO -0.08 -0.59 -0.14 0.15 0.00 0.00 0.00 175.76 175.10 1uea s LYS 22 N -3.92 3.07 -0.92 0.00 1.02 0.19 -0.94 119.74 118.23 1uea s LYS 22 Ca 0.39 -0.71 -0.20 0.00 0.02 0.00 0.00 55.97 55.47 1uea s LYS 22 Cb 0.06 -2.52 0.11 0.00 -0.52 0.00 0.00 37.83 34.95 1uea s LYS 22 CO 0.17 0.34 1.18 -0.06 -0.92 0.00 0.00 175.35 176.06 1uea s PHE 23 N -0.00 2.94 0.00 3.18 0.08 -1.26 -0.34 117.98 122.58 1uea s PHE 23 Ca -0.04 -1.17 0.00 0.00 0.12 0.00 0.00 56.93 55.84 1uea s PHE 23 Cb -0.14 -4.37 0.00 0.00 -0.57 0.00 0.00 43.02 37.93 1uea s PHE 23 CO 0.04 -1.61 0.29 0.28 -0.10 0.00 0.00 175.22 174.13 1uea n VAL 24 N 5.84 0.00 -2.44 -0.44 0.31 -0.81 -4.72 118.33 116.06 1uea n VAL 24 Ca 0.22 0.66 -0.25 0.00 -0.01 0.00 0.00 64.34 64.96 1uea n VAL 24 Cb 0.49 -1.40 0.14 0.00 -0.91 0.00 0.00 33.84 32.16 1uea n VAL 24 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1uea s GLY 25 N -0.21 1.76 0.68 2.92 0.00 -1.19 -4.99 107.32 106.29 1uea s GLY 25 Ca 0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 44.72 42.97 1uea s GLY 25 CO 0.00 -1.03 0.99 -0.51 0.00 0.00 0.00 173.10 172.55 1uea s THR 26 N -3.36 2.61 -0.08 0.90 -4.23 -1.26 -4.38 115.64 105.84 1uea s THR 26 Ca 0.69 -0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.72 1uea s THR 26 Cb -0.04 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.66 1uea s THR 26 CO 0.47 -0.12 1.11 -2.16 -0.54 0.00 0.00 174.62 173.38 1uea s PRO 27 N -5.19 4.38 0.27 3.99 0.04 -1.26 -4.49 135.00 132.75 1uea s PRO 27 Ca 0.59 1.53 0.12 0.00 0.04 0.00 0.00 61.00 63.28 1uea s PRO 27 Cb -0.11 -3.55 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 1uea s PRO 27 CO 0.45 -0.39 -0.20 -2.00 0.04 0.00 0.00 177.00 174.90 1uea s GLU 28 N 2.15 1.66 -0.14 4.56 2.56 -1.04 -4.93 118.70 123.52 1uea s GLU 28 Ca 0.52 -1.75 -0.26 0.00 0.00 0.00 0.00 54.97 53.48 1uea s GLU 28 Cb -0.21 -1.77 -0.02 0.00 2.00 0.00 0.00 34.13 34.13 1uea s GLU 28 CO 0.20 0.33 0.84 0.08 -0.56 0.00 0.00 175.26 176.15 1uea s VAL 29 N -2.46 4.89 0.00 3.70 1.01 -1.26 -2.13 120.40 124.15 1uea s VAL 29 Ca 0.29 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.94 1uea s VAL 29 Cb -0.05 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1uea s VAL 29 CO 0.15 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.30 1uea n ALA 30 N 4.99 0.00 0.16 5.51 0.00 -1.18 -4.83 120.51 125.16 1uea n ALA 30 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1uea n ALA 30 Cb 0.49 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.19 1uea n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uea n GLN 31 N 0.00 2.64 -3.73 0.00 10.64 -1.26 -4.76 117.38 120.91 1uea n GLN 31 Ca 0.00 -1.97 -0.14 0.00 -1.83 0.00 0.00 57.00 53.06 1uea n GLN 31 Cb 0.00 -1.58 -0.14 0.00 -0.86 0.00 0.00 30.24 27.66 1uea n GLN 31 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1uea s THR 32 N -1.56 -0.08 -1.12 -0.39 2.01 -1.26 -5.03 115.64 108.20 1uea s THR 32 Ca 0.36 0.20 0.19 0.00 0.31 0.00 0.00 61.69 62.75 1uea s THR 32 Cb 0.21 -0.28 0.21 0.00 0.01 0.00 0.00 72.50 72.65 1uea s THR 32 CO 0.20 0.08 1.62 0.35 -0.69 0.00 0.00 174.62 176.18 1uea n THR 33 N 4.38 0.60 0.08 -0.82 -2.24 -1.26 -2.80 114.28 112.22 1uea n THR 33 Ca -0.23 0.15 -0.05 0.00 -2.27 0.00 0.00 64.05 61.64 1uea n THR 33 Cb 0.52 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 1uea n THR 33 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1uea h LEU 34 N 0.00 0.00 -8.66 3.22 3.38 -1.97 -3.42 115.31 107.85 1uea h LEU 34 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1uea h LEU 34 Cb 0.29 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.76 1uea h LEU 34 CO 0.00 0.91 -0.88 -0.31 0.09 0.00 0.00 178.44 178.25 1uea s TYR 35 N -2.82 2.27 0.13 1.13 2.02 -1.12 -0.19 117.35 118.77 1uea s TYR 35 Ca 0.01 -0.42 0.07 0.00 -0.37 0.00 0.00 57.07 56.36 1uea s TYR 35 Cb 0.10 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 1uea s TYR 35 CO 0.81 0.05 -0.05 -1.14 -1.57 0.00 0.00 175.55 173.65 1uea s GLN 36 N -0.95 2.30 0.02 -0.62 0.74 0.80 -3.12 119.66 118.83 1uea s GLN 36 Ca 0.11 -1.02 0.03 0.00 0.05 0.00 0.00 55.36 54.52 1uea s GLN 36 Cb -0.10 -2.37 -0.01 0.00 1.10 0.00 0.00 33.01 31.63 1uea s GLN 36 CO 0.01 0.49 -0.09 -0.98 -0.55 0.00 0.00 175.29 174.17 1uea s ARG 37 N -2.49 0.68 -0.11 1.67 1.70 -0.91 -0.92 118.95 118.57 1uea s ARG 37 Ca 0.24 -0.53 0.00 0.00 -0.47 0.00 0.00 55.73 54.98 1uea s ARG 37 Cb -0.11 -0.62 -0.02 0.00 -0.57 0.00 0.00 34.95 33.64 1uea s ARG 37 CO 0.16 0.15 -0.11 0.71 -1.08 0.00 0.00 175.30 175.13 1uea s TYR 38 N -0.66 2.83 0.20 5.89 1.51 -0.75 -2.48 117.35 123.88 1uea s TYR 38 Ca -0.01 -0.44 -0.28 0.00 -1.01 0.00 0.00 57.07 55.33 1uea s TYR 38 Cb -0.06 -1.81 -0.08 0.00 -0.11 0.00 0.00 41.96 39.90 1uea s TYR 38 CO 0.00 -0.06 0.87 -2.00 -1.11 0.00 0.00 175.55 173.25 1uea s GLU 39 N 0.04 4.73 0.03 -0.62 2.12 -1.26 -1.51 118.70 122.23 1uea s GLU 39 Ca -0.04 1.34 -0.02 0.00 0.36 0.00 0.00 54.97 56.62 1uea s GLU 39 Cb -0.14 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1uea s GLU 39 CO 0.04 0.52 0.01 0.96 -0.54 0.00 0.00 175.26 176.25 1uea s ILE 40 N -1.08 0.15 -0.36 -3.70 -4.36 0.64 -1.93 121.20 110.57 1uea s ILE 40 Ca 0.39 -1.25 -0.04 0.00 -0.26 0.00 0.00 60.65 59.49 1uea s ILE 40 Cb -0.25 -0.84 0.07 0.00 1.25 0.00 0.00 42.46 42.70 1uea s ILE 40 CO 0.29 -0.69 0.13 -0.75 0.24 0.00 0.00 174.94 174.16 1uea s LYS 41 N -2.56 2.35 -0.13 0.37 2.36 0.54 -4.54 119.74 118.13 1uea s LYS 41 Ca -0.06 -1.45 -0.29 0.00 -2.55 0.00 0.00 55.97 51.61 1uea s LYS 41 Cb -0.02 -3.46 -0.01 0.00 -1.05 0.00 0.00 37.83 33.30 1uea s LYS 41 CO -0.05 -0.82 1.06 1.41 1.55 0.00 0.00 175.35 178.50 1uea s MET 42 N 1.27 4.36 0.00 4.03 -2.45 -1.26 0.53 119.30 125.78 1uea s MET 42 Ca 0.01 1.44 0.00 0.00 -1.25 0.00 0.00 55.69 55.90 1uea s MET 42 Cb -0.21 -3.58 0.00 0.00 1.25 0.00 0.00 34.83 32.28 1uea s MET 42 CO -0.01 -0.44 0.00 0.25 1.05 0.00 0.00 175.02 175.87 1uea n THR 43 N 4.81 0.00 -3.89 10.11 -2.24 0.11 -4.97 114.28 118.22 1uea n THR 43 Ca 0.10 0.25 -0.28 0.00 -2.27 0.00 0.00 64.05 61.85 1uea n THR 43 Cb 0.47 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 67.62 1uea n THR 43 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1uea s LYS 44 N -0.49 3.46 -0.20 -0.78 3.01 -1.12 -4.97 119.74 118.66 1uea s LYS 44 Ca 0.00 -0.50 0.01 0.00 -1.01 0.00 0.00 55.97 54.47 1uea s LYS 44 Cb 0.00 -2.96 0.04 0.00 -1.01 0.00 0.00 37.83 33.91 1uea s LYS 44 CO 0.00 0.52 -0.09 1.41 0.51 0.00 0.00 175.35 177.70 1uea s MET 45 N -3.05 1.87 0.01 1.68 -2.45 -1.26 -1.45 119.30 114.64 1uea s MET 45 Ca 0.36 -0.79 0.22 0.00 -1.25 0.00 0.00 55.69 54.23 1uea s MET 45 Cb -0.12 -2.35 0.02 0.00 1.25 0.00 0.00 34.83 33.63 1uea s MET 45 CO 0.28 -0.45 1.05 0.66 1.05 0.00 0.00 175.02 177.62 1uea n TYR 46 N 4.72 0.04 -3.63 4.11 4.01 0.45 -4.95 117.16 121.90 1uea n TYR 46 Ca -0.14 0.01 -0.09 0.00 -0.16 0.00 0.00 57.90 57.52 1uea n TYR 46 Cb 0.47 -0.16 -0.07 0.00 -0.31 0.00 0.00 39.34 39.27 1uea n TYR 46 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1uea s LYS 47 N -3.05 0.51 0.00 -0.72 2.20 -0.65 -4.89 119.74 113.14 1uea s LYS 47 Ca 0.08 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 1uea s LYS 47 Cb 0.16 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1uea s LYS 47 CO 0.81 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 176.13 1uea n GLY 48 N 1.96 1.00 0.37 5.54 0.00 -1.24 -1.47 105.19 111.36 1uea n GLY 48 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1uea n GLY 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1uea h PHE 49 N 0.00 1.16 -0.87 1.61 0.04 -1.96 -1.40 116.94 115.53 1uea h PHE 49 Ca 0.00 0.03 0.22 0.00 2.80 0.00 0.00 57.97 61.03 1uea h PHE 49 Cb 0.00 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 37.73 1uea h PHE 49 CO 0.00 0.52 0.60 0.37 -0.60 0.00 0.00 178.31 179.20 1uea h GLN 50 N 1.06 0.19 -2.25 1.51 4.15 -1.95 0.45 115.11 118.27 1uea h GLN 50 Ca 0.47 -0.01 -0.76 0.00 0.77 0.00 0.00 58.65 59.12 1uea h GLN 50 Cb 0.36 -0.04 -0.31 0.00 0.21 0.00 0.00 27.48 27.70 1uea h GLN 50 CO -0.22 0.13 0.63 0.00 -1.93 0.00 0.00 178.83 177.43 1uea n ALA 51 N -2.61 5.75 -0.63 3.38 0.00 -0.53 -4.98 120.51 120.89 1uea n ALA 51 Ca 0.18 -4.62 -0.03 0.00 0.00 0.00 0.00 53.44 48.97 1uea n ALA 51 Cb 0.80 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1uea n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uea n LEU 52 N -0.12 -1.07 -0.17 0.00 4.77 0.15 -4.58 117.00 115.97 1uea n LEU 52 Ca 0.43 -0.69 0.06 0.00 -0.03 0.00 0.00 56.01 55.78 1uea n LEU 52 Cb 0.29 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1uea n LEU 52 CO 0.48 -0.89 0.13 0.61 -1.33 0.00 0.00 177.39 176.39 1uea n GLY 53 N 2.69 -0.09 1.41 -0.72 0.00 -1.26 -4.48 105.19 102.74 1uea n GLY 53 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1uea n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uea n ASP 54 N -0.59 4.82 -1.71 1.61 8.00 -1.26 -3.29 116.55 124.13 1uea n ASP 54 Ca 0.04 -2.36 -0.16 0.00 0.71 0.00 0.00 54.79 53.01 1uea n ASP 54 Cb 0.22 -0.97 0.16 0.00 -0.02 0.00 0.00 41.12 40.51 1uea n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uea n ALA 55 N 1.15 5.04 0.00 2.24 0.00 -1.26 -4.94 120.51 122.74 1uea n ALA 55 Ca 0.03 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.25 1uea n ALA 55 Cb 0.52 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1uea n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uea n ALA 56 N -1.06 0.00 0.10 0.00 0.00 -1.21 -4.96 120.51 113.38 1uea n ALA 56 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1uea n ALA 56 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.59 1uea n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1uea n ASP 57 N 1.93 0.00 -3.91 0.00 8.00 -1.23 -4.14 116.55 117.20 1uea n ASP 57 Ca 0.00 0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.23 1uea n ASP 57 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1uea n ASP 57 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1uea n ILE 58 N -1.09 3.96 -0.00 0.53 5.41 -1.26 -4.45 119.36 122.45 1uea n ILE 58 Ca 0.00 -3.86 0.00 0.00 1.00 0.00 0.00 62.75 59.89 1uea n ILE 58 Cb 0.38 -2.46 0.00 0.00 -0.71 0.00 0.00 39.64 36.84 1uea n ILE 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1uea n ARG 59 N 5.22 4.42 -3.95 0.38 1.74 -1.26 -4.55 116.66 118.65 1uea n ARG 59 Ca 0.45 -0.15 -0.09 0.00 -0.77 0.00 0.00 57.85 57.29 1uea n ARG 59 Cb 0.39 -0.65 -0.10 0.00 -1.02 0.00 0.00 32.46 31.08 1uea n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uea s PHE 60 N -0.68 0.25 -0.08 -1.55 0.08 -1.26 -0.26 117.98 114.48 1uea s PHE 60 Ca 0.00 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.49 1uea s PHE 60 Cb 0.00 -0.18 0.01 0.00 -0.57 0.00 0.00 43.02 42.28 1uea s PHE 60 CO 0.00 -0.35 -0.15 0.54 -0.10 0.00 0.00 175.22 175.16 1uea s VAL 61 N -2.69 1.37 -0.07 -0.44 0.11 -0.57 -4.37 120.40 113.74 1uea s VAL 61 Ca -0.04 -0.60 -0.07 0.00 -2.93 0.00 0.00 61.98 58.34 1uea s VAL 61 Cb -0.01 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 1uea s VAL 61 CO -0.05 0.41 0.20 -0.31 -3.33 0.00 0.00 175.10 172.02 1uea s TYR 62 N 0.74 3.60 -0.08 1.54 1.51 0.11 -1.81 117.35 122.97 1uea s TYR 62 Ca -0.12 0.57 -0.16 0.00 -1.01 0.00 0.00 57.07 56.34 1uea s TYR 62 Cb -0.16 -1.97 0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1uea s TYR 62 CO 0.03 0.69 0.40 -0.08 -1.11 0.00 0.00 175.55 175.48 1uea s THR 63 N -1.13 0.02 0.21 -0.71 -1.32 -0.09 -0.94 115.64 111.69 1uea s THR 63 Ca 0.20 -0.21 -0.24 0.00 -1.21 0.00 0.00 61.69 60.23 1uea s THR 63 Cb -0.13 -0.64 -0.15 0.00 -1.51 0.00 0.00 72.50 70.07 1uea s THR 63 CO 0.09 -0.11 0.40 -2.65 -2.21 0.00 0.00 174.62 170.14 1uea n PRO 64 N 1.97 0.00 0.28 7.08 -0.02 -1.26 -0.14 135.00 142.91 1uea n PRO 64 Ca -0.17 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.48 1uea n PRO 64 Cb 0.57 -0.91 0.95 0.00 -0.02 0.00 0.00 33.50 34.09 1uea n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uea h ALA 65 N 0.80 1.49 -3.73 3.55 0.00 -0.83 -3.36 119.26 117.18 1uea h ALA 65 Ca -0.27 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 1uea h ALA 65 Cb 1.31 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.83 1uea h ALA 65 CO 0.50 -0.12 -0.75 -1.64 0.00 0.00 0.00 179.25 177.24 1uea s MET 66 N -4.49 0.43 0.12 0.00 -1.94 -1.26 -4.91 119.30 107.25 1uea s MET 66 Ca -0.05 -0.31 -0.32 0.00 -1.71 0.00 0.00 55.69 53.31 1uea s MET 66 Cb 0.14 -0.36 -0.09 0.00 2.01 0.00 0.00 34.83 36.52 1uea s MET 66 CO 0.50 0.09 1.56 0.93 -0.01 0.00 0.00 175.02 178.09 1uea h GLU 67 N 5.67 -0.52 -1.26 2.03 5.08 -1.83 0.29 114.58 124.04 1uea h GLU 67 Ca -0.29 0.04 0.36 0.00 -1.00 0.00 0.00 59.36 58.47 1uea h GLU 67 Cb 1.20 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 1uea h GLU 67 CO 0.48 -0.35 1.08 0.66 -1.00 0.00 0.00 179.01 179.88 1uea h SER 68 N -0.54 0.00 -0.65 1.42 4.64 -1.93 1.09 113.55 117.57 1uea h SER 68 Ca 0.05 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.99 1uea h SER 68 Cb 0.66 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.53 1uea h SER 68 CO -0.43 0.00 0.16 0.55 -0.87 0.00 0.00 176.83 176.24 1uea n VAL 69 N -3.75 2.88 -1.70 0.95 3.14 0.01 -0.20 118.33 119.67 1uea n VAL 69 Ca 0.28 -2.75 -0.04 0.00 -2.96 0.00 0.00 64.34 58.87 1uea n VAL 69 Cb 1.47 -0.57 -0.01 0.00 -1.06 0.00 0.00 33.84 33.67 1uea n VAL 69 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1uea s GLY 71 N -2.86 2.26 -0.30 0.00 0.00 -0.72 -1.57 107.32 104.12 1uea s GLY 71 Ca 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 44.72 44.66 1uea s GLY 71 CO 0.00 0.41 0.77 -0.47 0.00 0.00 0.00 173.10 173.80 1uea s TYR 72 N -2.22 3.21 -0.38 1.90 5.04 -1.26 -4.34 117.35 119.29 1uea s TYR 72 Ca 0.57 0.79 -0.17 0.00 -2.44 0.00 0.00 57.07 55.82 1uea s TYR 72 Cb -0.10 -3.18 0.01 0.00 0.35 0.00 0.00 41.96 39.04 1uea s TYR 72 CO 0.20 -0.55 0.45 0.12 -1.34 0.00 0.00 175.55 174.43 1uea s PHE 73 N 2.90 3.18 -0.15 4.97 5.36 -1.26 -5.04 117.98 127.93 1uea s PHE 73 Ca 0.31 -0.11 -0.18 0.00 -0.96 0.00 0.00 56.93 55.99 1uea s PHE 73 Cb -0.14 -2.87 -0.04 0.00 -0.34 0.00 0.00 43.02 39.63 1uea s PHE 73 CO 0.12 -0.59 0.50 -1.58 -1.46 0.00 0.00 175.22 172.21 1uea s HIS 74 N 2.21 3.45 0.01 10.12 5.65 -1.26 -5.07 115.29 130.40 1uea s HIS 74 Ca 0.14 0.84 0.05 0.00 0.25 0.00 0.00 55.06 56.35 1uea s HIS 74 Cb -0.16 -2.61 -0.02 0.00 -1.18 0.00 0.00 32.58 28.61 1uea s HIS 74 CO 0.13 0.05 -0.17 1.03 -0.65 0.00 0.00 174.74 175.14 1uea s ARG 75 N 1.06 1.24 0.16 2.88 0.52 -1.26 -5.14 118.95 118.41 1uea s ARG 75 Ca 0.25 -0.69 -0.21 0.00 -0.52 0.00 0.00 55.73 54.56 1uea s ARG 75 Cb -0.15 -1.24 0.06 0.00 0.52 0.00 0.00 34.95 34.13 1uea s ARG 75 CO 0.10 0.33 0.54 0.45 0.02 0.00 0.00 175.30 176.74 1uea s SER 76 N -0.71 -0.44 0.00 0.23 0.15 -1.26 -5.06 113.70 106.61 1uea s SER 76 Ca 0.05 -0.14 0.26 0.00 0.70 0.00 0.00 55.95 56.82 1uea s SER 76 Cb -0.07 0.57 0.74 0.00 -1.71 0.00 0.00 66.02 65.54 1uea s SER 76 CO 0.00 -0.96 1.57 0.00 1.20 0.00 0.00 173.24 175.05 1uea n HIS 77 N -0.34 0.00 0.00 3.44 1.44 -1.26 -4.97 115.22 113.54 1uea n HIS 77 Ca -0.16 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1uea n HIS 77 Cb 0.64 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.75 1uea n HIS 77 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1uea n ALA 78 N 0.60 0.00 -0.34 1.59 0.00 -1.26 -5.05 120.51 116.05 1uea n ALA 78 Ca 0.17 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.82 1uea n ALA 78 Cb 0.44 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.33 1uea n ALA 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1uea h ARG 79 N 0.00 0.47 -0.96 0.00 2.43 -1.93 -0.42 114.38 113.96 1uea h ARG 79 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1uea h ARG 79 Cb 0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1uea h ARG 79 CO 0.00 0.31 0.00 -1.13 -1.51 0.00 0.00 179.97 177.64 1uea n SER 80 N -4.85 1.40 -4.64 -3.80 3.41 -1.26 -4.07 113.62 99.81 1uea n SER 80 Ca 0.28 -2.08 -0.39 0.00 -0.26 0.00 0.00 58.87 56.42 1uea n SER 80 Cb 0.84 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 64.19 1uea n SER 80 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1uea s GLU 81 N -1.15 4.10 0.37 4.33 2.12 -0.17 -5.07 118.70 123.23 1uea s GLU 81 Ca 0.05 0.21 -0.21 0.00 0.36 0.00 0.00 54.97 55.37 1uea s GLU 81 Cb 0.04 -3.60 -0.10 0.00 0.26 0.00 0.00 34.13 30.72 1uea s GLU 81 CO 0.01 -0.20 0.90 -1.21 -0.54 0.00 0.00 175.26 174.22 1uea s GLU 82 N 1.81 4.28 0.01 4.30 2.02 -1.26 -4.43 118.70 125.43 1uea s GLU 82 Ca 0.19 1.08 0.03 0.00 0.02 0.00 0.00 54.97 56.29 1uea s GLU 82 Cb -0.15 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 1uea s GLU 82 CO 0.09 0.11 -0.11 -0.06 0.02 0.00 0.00 175.26 175.31 1uea s PHE 83 N -1.96 0.94 -0.08 1.61 0.40 -0.12 -0.87 117.98 117.90 1uea s PHE 83 Ca 0.56 -0.24 -0.20 0.00 -0.60 0.00 0.00 56.93 56.45 1uea s PHE 83 Cb -0.12 -0.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 1uea s PHE 83 CO 0.17 -0.01 0.58 -1.17 0.70 0.00 0.00 175.22 175.49 1uea s LEU 84 N -0.55 4.32 -0.09 -0.37 1.98 0.30 -0.59 118.68 123.68 1uea s LEU 84 Ca 0.02 1.01 0.00 0.00 -2.89 0.00 0.00 54.13 52.27 1uea s LEU 84 Cb -0.05 -2.87 0.02 0.00 0.66 0.00 0.00 46.19 43.95 1uea s LEU 84 CO 0.00 -0.02 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.74 1uea s ILE 85 N 0.53 0.92 -0.26 6.68 1.01 -0.41 -1.78 121.20 127.88 1uea s ILE 85 Ca 0.31 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1uea s ILE 85 Cb -0.17 -0.93 0.05 0.00 0.01 0.00 0.00 42.46 41.42 1uea s ILE 85 CO 0.14 0.34 -0.08 0.00 0.00 0.00 0.00 174.94 175.34 1uea s ALA 86 N 1.44 2.64 0.20 9.38 0.00 -0.81 -1.19 121.76 133.43 1uea s ALA 86 Ca -0.01 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.34 1uea s ALA 86 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 1uea s ALA 86 CO -0.05 -1.07 0.15 0.41 0.00 0.00 0.00 175.76 175.21 1uea n GLY 87 N 4.55 3.41 3.62 0.00 0.00 -0.76 -4.02 105.19 112.00 1uea n GLY 87 Ca -0.15 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 1uea n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uea s LYS 88 N -2.82 2.30 -0.26 1.61 -0.14 -0.46 -0.97 119.74 119.00 1uea s LYS 88 Ca 0.21 -0.95 -0.11 0.00 -1.36 0.00 0.00 55.97 53.77 1uea s LYS 88 Cb 0.01 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.71 1uea s LYS 88 CO 0.15 0.52 0.17 -0.51 -0.76 0.00 0.00 175.35 174.92 1uea s LEU 89 N -2.24 4.00 -0.24 3.17 1.43 -1.26 0.26 118.68 123.81 1uea s LEU 89 Ca 0.23 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1uea s LEU 89 Cb -0.11 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1uea s LEU 89 CO 0.15 -0.01 -0.06 -1.58 0.23 0.00 0.00 176.35 175.09 1uea s GLN 90 N 1.50 2.98 0.42 1.70 0.74 -0.43 -4.85 119.66 121.72 1uea s GLN 90 Ca 0.07 -0.88 0.00 0.00 0.05 0.00 0.00 55.36 54.60 1uea s GLN 90 Cb -0.15 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 30.97 1uea s GLN 90 CO 0.08 -0.35 0.00 -0.25 -0.55 0.00 0.00 175.29 174.23 1uea n ASP 91 N 4.71 0.00 -0.22 6.67 9.92 -1.26 -0.76 116.55 135.61 1uea n ASP 91 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1uea n ASP 91 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 1uea n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uea n GLY 92 N 0.00 0.49 3.70 0.44 0.00 -1.26 -5.12 105.19 103.44 1uea n GLY 92 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1uea n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uea s LEU 93 N 0.00 3.74 -0.02 0.99 1.43 0.06 -5.00 118.68 119.87 1uea s LEU 93 Ca 0.00 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 1uea s LEU 93 Cb 0.00 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1uea s LEU 93 CO 0.00 0.34 1.12 -0.22 0.23 0.00 0.00 176.35 177.82 1uea s LEU 94 N -0.65 4.31 -0.01 1.79 2.96 -1.26 -1.32 118.68 124.49 1uea s LEU 94 Ca 0.11 1.78 0.08 0.00 -0.22 0.00 0.00 54.13 55.88 1uea s LEU 94 Cb -0.12 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1uea s LEU 94 CO 0.02 -0.47 -0.25 -1.00 -1.32 0.00 0.00 176.35 173.34 1uea s HIS 95 N 1.66 2.22 0.09 5.38 3.76 0.14 0.09 115.29 128.63 1uea s HIS 95 Ca 0.54 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 55.07 1uea s HIS 95 Cb -0.24 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 1uea s HIS 95 CO 0.24 -0.03 -0.10 -1.50 -0.85 0.00 0.00 174.74 172.51 1uea s ILE 96 N -0.60 0.89 0.31 0.60 1.10 -0.12 -1.36 121.20 122.03 1uea s ILE 96 Ca 0.10 -1.64 0.01 0.00 -0.51 0.00 0.00 60.65 58.61 1uea s ILE 96 Cb -0.10 -1.35 -0.02 0.00 0.15 0.00 0.00 42.46 41.14 1uea s ILE 96 CO -0.01 -0.58 0.34 0.42 -2.11 0.00 0.00 174.94 173.00 1uea s THR 97 N -2.51 0.00 0.63 4.00 -4.23 -1.26 -4.24 115.64 108.03 1uea s THR 97 Ca 0.05 -1.82 0.26 0.00 -1.18 0.00 0.00 61.69 59.00 1uea s THR 97 Cb -0.02 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.53 1uea s THR 97 CO -0.00 0.00 1.78 0.74 -0.54 0.00 0.00 174.62 176.60 1uea h THR 98 N 2.20 0.00 0.00 3.99 2.02 -1.48 0.24 112.91 119.88 1uea h THR 98 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1uea h THR 98 Cb 1.24 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1uea h THR 98 CO 0.40 0.00 -1.02 0.00 0.37 0.00 0.00 175.52 175.27 1uea s SER 100 N -2.90 6.61 -0.40 0.00 0.01 0.07 -4.31 113.70 112.79 1uea s SER 100 Ca 0.03 2.54 -0.27 0.00 1.31 0.00 0.00 55.95 59.56 1uea s SER 100 Cb 0.12 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 1uea s SER 100 CO 0.69 -0.84 2.31 0.12 0.41 0.00 0.00 173.24 175.93 1uea s PHE 101 N 1.75 1.14 -0.07 2.43 2.19 -1.26 -4.84 117.98 119.33 1uea s PHE 101 Ca 0.71 1.16 0.00 0.00 0.33 0.00 0.00 56.93 59.13 1uea s PHE 101 Cb -0.42 -3.73 0.02 0.00 -1.31 0.00 0.00 43.02 37.58 1uea s PHE 101 CO 0.31 -3.08 -0.04 0.08 1.83 0.00 0.00 175.22 174.32 1uea s VAL 102 N 10.60 0.60 0.01 3.12 1.01 -1.26 -1.93 120.40 132.55 1uea s VAL 102 Ca 0.97 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.58 1uea s VAL 102 Cb -0.23 -0.66 0.09 0.00 0.00 0.00 0.00 36.38 35.58 1uea s VAL 102 CO 0.29 0.27 0.78 0.00 0.00 0.00 0.00 175.10 176.44 1uea s ALA 103 N 1.38 -1.77 0.28 5.51 0.00 -0.74 -4.97 121.76 121.47 1uea s ALA 103 Ca -0.03 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 1uea s ALA 103 Cb -0.13 0.27 -0.10 0.00 0.00 0.00 0.00 23.12 23.15 1uea s ALA 103 CO -0.03 -0.58 1.44 -1.25 0.00 0.00 0.00 175.76 175.34 1uea s PRO 104 N -2.54 4.25 0.10 0.00 0.04 -1.26 0.11 135.00 135.70 1uea s PRO 104 Ca -0.01 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.11 1uea s PRO 104 Cb -0.01 -3.08 -0.12 0.00 0.04 0.00 0.00 34.50 31.33 1uea s PRO 104 CO -0.04 -0.42 1.67 2.35 0.04 0.00 0.00 177.00 180.60 1uea h TRP 105 N 4.49 -0.52 0.00 0.56 2.91 -1.31 -2.60 115.95 119.48 1uea h TRP 105 Ca -0.47 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.55 1uea h TRP 105 Cb 1.22 0.20 0.00 0.00 -0.51 0.00 0.00 29.16 30.07 1uea h TRP 105 CO 0.58 -0.30 0.00 0.09 -1.03 0.00 0.00 178.44 177.79 1uea n ASN 106 N -5.32 0.00 -0.00 2.65 3.02 -1.26 -0.56 115.26 113.78 1uea n ASN 106 Ca -0.08 -0.21 0.04 0.00 -0.03 0.00 0.00 54.58 54.30 1uea n ASN 106 Cb 0.24 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 1uea n ASN 106 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1uea n SER 107 N -0.70 1.45 -4.77 6.41 3.41 -0.98 -5.00 113.62 113.44 1uea n SER 107 Ca 0.01 -0.42 -0.39 0.00 -0.26 0.00 0.00 58.87 57.82 1uea n SER 107 Cb 0.01 1.18 -0.03 0.00 -0.26 0.00 0.00 64.21 65.10 1uea n SER 107 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uea s LEU 108 N -2.93 4.37 0.47 1.04 1.02 0.27 -5.00 118.68 117.91 1uea s LEU 108 Ca 0.01 2.31 -0.23 0.00 0.02 0.00 0.00 54.13 56.24 1uea s LEU 108 Cb 0.06 -3.83 -0.07 0.00 0.02 0.00 0.00 46.19 42.37 1uea s LEU 108 CO 0.37 -0.40 1.18 -0.94 0.02 0.00 0.00 176.35 176.58 1uea s SER 109 N -1.01 6.10 0.53 2.29 1.04 -1.26 -4.78 113.70 116.61 1uea s SER 109 Ca 0.51 2.34 0.32 0.00 0.48 0.00 0.00 55.95 59.59 1uea s SER 109 Cb -0.31 -2.60 1.47 0.00 0.10 0.00 0.00 66.02 64.67 1uea s SER 109 CO 0.40 -0.97 1.86 -0.07 0.98 0.00 0.00 173.24 175.44 1uea h LEU 110 N 1.99 0.04 -0.63 2.42 3.38 -1.89 0.77 115.31 121.39 1uea h LEU 110 Ca -0.49 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1uea h LEU 110 Cb 1.25 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1uea h LEU 110 CO 0.60 0.01 0.32 0.00 0.09 0.00 0.00 178.44 179.46 1uea h ALA 111 N 1.52 0.81 -0.08 1.53 0.00 -1.79 -0.99 119.26 120.25 1uea h ALA 111 Ca 0.48 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 1uea h ALA 111 Cb 1.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1uea h ALA 111 CO -0.03 0.35 -0.59 1.96 0.00 0.00 0.00 179.25 180.95 1uea h GLN 112 N 0.86 0.26 -0.67 0.00 4.20 0.30 -0.63 115.11 119.44 1uea h GLN 112 Ca 0.22 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1uea h GLN 112 Cb 0.09 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1uea h GLN 112 CO -0.03 0.77 0.15 0.00 -0.67 0.00 0.00 178.83 179.05 1uea h ARG 113 N 0.19 1.08 -0.31 1.46 -0.00 -0.60 -1.05 114.38 115.15 1uea h ARG 113 Ca -0.00 -0.27 -0.16 0.00 -0.50 0.00 0.00 59.98 59.05 1uea h ARG 113 Cb 1.09 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.91 1uea h ARG 113 CO 0.09 0.97 -0.43 -0.09 0.00 0.00 0.00 179.97 180.51 1uea h ARG 114 N 1.01 0.79 0.58 0.04 9.65 -1.06 0.99 114.38 126.37 1uea h ARG 114 Ca 0.21 -0.43 -0.02 0.00 -1.10 0.00 0.00 59.98 58.64 1uea h ARG 114 Cb 0.38 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1uea h ARG 114 CO 0.00 1.06 -0.42 0.78 2.80 0.00 0.00 179.97 184.20 1uea h GLY 115 N 0.87 -1.09 1.16 2.80 0.00 -0.64 0.49 103.07 106.67 1uea h GLY 115 Ca 0.04 0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.78 1uea h GLY 115 CO 0.10 -0.37 0.11 0.74 0.00 0.00 0.00 176.54 177.12 1uea h PHE 116 N -0.97 1.09 -0.66 5.60 0.04 -1.20 0.15 116.94 120.98 1uea h PHE 116 Ca -0.07 -0.14 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 1uea h PHE 116 Cb 0.81 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 1uea h PHE 116 CO -0.15 0.91 0.26 1.15 -0.60 0.00 0.00 178.31 179.88 1uea h THR 117 N 0.97 1.24 0.00 -1.55 2.02 -0.67 -3.45 112.91 111.48 1uea h THR 117 Ca 0.20 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1uea h THR 117 Cb 0.40 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1uea h THR 117 CO 0.01 0.30 0.00 2.29 0.37 0.00 0.00 175.52 178.49 1uea n LYS 118 N -4.39 0.27 0.14 6.66 2.85 0.07 -5.02 118.16 118.75 1uea n LYS 118 Ca 0.05 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.42 1uea n LYS 118 Cb 0.18 -0.11 0.10 0.00 -0.65 0.00 0.00 35.03 34.55 1uea n LYS 118 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1uea h THR 119 N 0.00 0.00 -0.44 0.58 1.03 -0.78 -3.38 112.91 109.92 1uea h THR 119 Ca 0.00 -0.93 -0.08 0.00 -0.01 0.00 0.00 66.41 65.40 1uea h THR 119 Cb 0.00 1.64 -0.02 0.00 -1.07 0.00 0.00 68.15 68.71 1uea h THR 119 CO 0.00 0.00 -0.02 1.88 -0.01 0.00 0.00 175.52 177.37 1uea h TYR 120 N 0.00 0.86 -0.88 0.00 0.05 -0.97 -3.20 116.97 112.83 1uea h TYR 120 Ca 0.00 -0.16 0.21 0.00 0.05 0.00 0.00 58.73 58.84 1uea h TYR 120 Cb 0.96 -0.22 -0.12 0.00 1.01 0.00 0.00 36.73 38.36 1uea h TYR 120 CO 0.00 0.85 0.38 1.15 -1.05 0.00 0.00 178.16 179.49 1uea h THR 121 N 0.63 0.48 -0.63 -2.88 2.02 -1.80 -0.29 112.91 110.43 1uea h THR 121 Ca 0.12 -0.14 0.18 0.00 0.77 0.00 0.00 66.41 67.35 1uea h THR 121 Cb 0.52 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1uea h THR 121 CO 0.03 0.07 0.58 0.58 0.37 0.00 0.00 175.52 177.15 1uea h VAL 122 N 0.40 0.41 0.00 3.16 2.07 -1.80 -1.72 116.25 118.76 1uea h VAL 122 Ca 0.55 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.81 1uea h VAL 122 Cb 1.02 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1uea h VAL 122 CO -0.52 0.00 -1.64 0.61 0.02 0.00 0.00 177.57 176.04 1uea n GLY 123 N -1.59 -1.05 0.43 2.17 0.00 -0.12 -4.60 105.19 100.42 1uea n GLY 123 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1uea n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uea h GLU 125 N -0.10 -0.22 0.05 0.00 4.81 -1.81 -3.36 114.58 113.93 1uea h GLU 125 Ca 0.15 0.02 -0.38 0.00 -0.13 0.00 0.00 59.36 59.02 1uea h GLU 125 Cb 0.47 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1uea h GLU 125 CO -0.85 -0.15 -2.26 0.39 -0.73 0.00 0.00 179.01 175.41 1uea n GLU 126 N -5.30 0.69 -3.64 1.92 -0.58 -1.18 -4.99 120.64 107.56 1uea n GLU 126 Ca -0.04 0.19 -0.32 0.00 -0.42 0.00 0.00 57.16 56.57 1uea n GLU 126 Cb 0.22 -1.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.44 1uea n GLU 126 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uea s THR 128 N -1.64 0.56 -0.28 0.00 -4.23 -0.68 -4.43 115.64 104.94 1uea s THR 128 Ca 0.41 -0.53 -0.05 0.00 -1.18 0.00 0.00 61.69 60.33 1uea s THR 128 Cb -0.12 -0.52 0.01 0.00 1.34 0.00 0.00 72.50 73.22 1uea s THR 128 CO 0.23 -0.00 0.04 0.54 -0.54 0.00 0.00 174.62 174.89 1uea s VAL 129 N -0.51 3.64 -0.20 2.29 0.11 -1.26 -1.83 120.40 122.64 1uea s VAL 129 Ca -0.01 -0.80 -0.15 0.00 -2.93 0.00 0.00 61.98 58.09 1uea s VAL 129 Cb -0.05 -2.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.89 1uea s VAL 129 CO 0.00 0.11 0.36 0.12 -3.33 0.00 0.00 175.10 172.36 1uea s PHE 130 N 1.44 3.38 0.09 1.54 2.19 -0.69 -4.92 117.98 121.01 1uea s PHE 130 Ca 0.02 0.58 -0.30 0.00 0.33 0.00 0.00 56.93 57.56 1uea s PHE 130 Cb -0.17 -2.48 -0.05 0.00 -1.31 0.00 0.00 43.02 39.01 1uea s PHE 130 CO 0.00 0.03 0.96 -2.14 1.83 0.00 0.00 175.22 175.90 1uea s PRO 131 N 1.16 4.66 0.07 10.12 0.02 -1.26 -0.25 135.00 149.53 1uea s PRO 131 Ca 0.18 1.43 -0.16 0.00 0.02 0.00 0.00 61.00 62.46 1uea s PRO 131 Cb -0.14 -3.39 -0.06 0.00 0.02 0.00 0.00 34.50 30.92 1uea s PRO 131 CO 0.07 0.16 0.51 0.00 -0.33 0.00 0.00 177.00 177.42 1uea n LEU 133 N 1.48 0.00 -4.52 0.00 -0.00 -1.26 -4.57 117.00 108.13 1uea n LEU 133 Ca -0.10 -0.09 -0.24 0.00 -0.00 0.00 0.00 56.01 55.58 1uea n LEU 133 Cb 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 1uea n LEU 133 CO 0.41 0.00 -0.44 -0.44 -0.00 0.00 0.00 177.39 176.92 1uea s SER 134 N -0.96 3.90 0.15 1.45 0.01 -1.26 -5.02 113.70 111.98 1uea s SER 134 Ca 0.00 -0.85 -0.17 0.00 1.31 0.00 0.00 55.95 56.24 1uea s SER 134 Cb 0.00 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1uea s SER 134 CO 0.00 0.05 1.80 -0.29 0.41 0.00 0.00 173.24 175.21 1uea h ILE 135 N 2.36 1.08 0.00 1.44 6.09 -2.00 0.14 117.51 126.62 1uea h ILE 135 Ca -0.43 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1uea h ILE 135 Cb 1.24 0.56 0.00 0.00 0.47 0.00 0.00 36.82 39.10 1uea h ILE 135 CO 0.58 0.09 0.00 -0.81 -3.07 0.00 0.00 178.15 174.93 1uea n PRO 136 N -4.85 0.35 0.00 2.19 -0.04 -1.26 -4.87 135.00 126.52 1uea n PRO 136 Ca -0.00 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1uea n PRO 136 Cb 0.03 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1uea n PRO 136 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uea n LYS 138 N 0.00 0.00 -3.32 0.00 3.00 -1.26 -4.55 118.16 112.02 1uea n LYS 138 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1uea n LYS 138 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1uea n LYS 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1uea s LEU 139 N 0.00 4.38 0.00 3.14 1.43 -1.26 -5.04 118.68 121.33 1uea s LEU 139 Ca 0.00 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1uea s LEU 139 Cb 0.00 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 1uea s LEU 139 CO 0.00 0.13 0.05 0.00 0.23 0.00 0.00 176.35 176.76 1uea n GLN 140 N 2.83 0.91 -1.58 1.70 1.13 -1.26 -5.14 117.38 115.98 1uea n GLN 140 Ca -0.09 -1.48 -0.33 0.00 -1.94 0.00 0.00 57.00 53.16 1uea n GLN 140 Cb 0.52 0.73 0.07 0.00 0.11 0.00 0.00 30.24 31.66 1uea n GLN 140 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1uea s SER 141 N -2.08 4.65 0.00 1.08 0.01 -1.26 -4.87 113.70 111.22 1uea s SER 141 Ca 0.07 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.48 1uea s SER 141 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.68 1uea s SER 141 CO 0.05 -1.95 0.88 0.61 0.41 0.00 0.00 173.24 173.25 1uea n GLY 142 N -0.15 -0.38 1.45 3.44 0.00 -1.26 -0.35 105.19 107.95 1uea n GLY 142 Ca 0.12 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1uea n GLY 142 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uea n THR 143 N -1.38 1.56 -4.35 2.61 -2.24 -1.21 -1.43 114.28 107.85 1uea n THR 143 Ca 0.00 -1.04 -0.33 0.00 -2.27 0.00 0.00 64.05 60.40 1uea n THR 143 Cb 0.00 0.13 -0.16 0.00 -2.10 0.00 0.00 70.33 68.20 1uea n THR 143 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1uea s HIS 144 N -1.73 2.77 -0.10 4.78 4.02 0.53 -1.69 115.29 123.88 1uea s HIS 144 Ca 0.46 -1.33 -0.13 0.00 1.02 0.00 0.00 55.06 55.09 1uea s HIS 144 Cb 0.29 -1.90 -0.05 0.00 -1.02 0.00 0.00 32.58 29.90 1uea s HIS 144 CO 0.24 -0.64 0.32 0.00 1.02 0.00 0.00 174.74 175.68 1uea s LEU 146 N -0.30 4.11 -0.77 0.00 1.02 -1.26 -1.71 118.68 119.77 1uea s LEU 146 Ca 0.19 0.58 -0.24 0.00 0.02 0.00 0.00 54.13 54.68 1uea s LEU 146 Cb -0.14 -2.93 0.05 0.00 0.02 0.00 0.00 46.19 43.19 1uea s LEU 146 CO 0.08 -0.51 1.19 0.86 0.02 0.00 0.00 176.35 177.99 1uea s TRP 147 N 2.72 2.50 -1.40 0.29 -0.00 0.66 -4.88 118.94 118.83 1uea s TRP 147 Ca 0.28 -0.42 0.14 0.00 -0.00 0.00 0.00 56.10 56.11 1uea s TRP 147 Cb -0.15 -4.51 0.34 0.00 -0.00 0.00 0.00 33.47 29.15 1uea s TRP 147 CO 0.11 -1.88 1.25 0.25 -0.00 0.00 0.00 176.95 176.68 1uea n THR 148 N 6.24 0.76 1.26 5.86 -2.24 -1.26 -1.44 114.28 123.46 1uea n THR 148 Ca 0.07 -0.88 0.11 0.00 -2.27 0.00 0.00 64.05 61.08 1uea n THR 148 Cb 0.48 0.70 0.63 0.00 -2.10 0.00 0.00 70.33 70.04 1uea n THR 148 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1uea n ASP 149 N 0.86 0.00 -0.01 3.42 5.68 -1.26 -3.40 116.55 121.84 1uea n ASP 149 Ca 0.14 -0.37 -0.22 0.00 -0.50 0.00 0.00 54.79 53.85 1uea n ASP 149 Cb 0.46 -0.15 -0.14 0.00 -1.14 0.00 0.00 41.12 40.15 1uea n ASP 149 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1uea h GLN 150 N 0.00 0.23 0.00 0.11 5.75 -1.81 -3.37 115.11 116.02 1uea h GLN 150 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 1uea h GLN 150 Cb 0.11 0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.81 1uea h GLN 150 CO 0.00 1.19 0.02 -0.07 -2.65 0.00 0.00 178.83 177.32 1uea h LEU 151 N -0.22 0.00 -6.00 -2.39 4.07 -1.80 -2.65 115.31 106.33 1uea h LEU 151 Ca -0.37 0.00 -0.73 0.00 0.08 0.00 0.00 57.88 56.86 1uea h LEU 151 Cb 1.84 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.49 1uea h LEU 151 CO 0.04 0.00 2.72 -0.11 -1.08 0.00 0.00 178.44 180.01 1uea n LEU 152 N -3.03 7.17 -0.50 1.67 -0.00 -1.26 -4.76 117.00 116.30 1uea n LEU 152 Ca -0.03 -4.45 0.00 0.00 -0.00 0.00 0.00 56.01 51.53 1uea n LEU 152 Cb 0.09 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 41.96 1uea n LEU 152 CO 0.19 1.45 0.00 0.00 -0.00 0.00 0.00 177.39 179.03 1uea n GLN 153 N 4.40 -0.13 0.00 1.96 6.02 -1.03 -4.71 117.38 123.89 1uea n GLN 153 Ca 0.52 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1uea n GLN 153 Cb 0.34 0.12 0.00 0.00 1.02 0.00 0.00 30.24 31.72 1uea n GLN 153 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uea n GLY 154 N -0.12 2.13 0.00 1.08 0.00 -1.03 -5.12 105.19 102.12 1uea n GLY 154 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1uea n GLY 154 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uea n SER 155 N 0.00 0.23 -0.26 1.61 2.88 -1.26 -4.99 113.62 111.84 1uea n SER 155 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1uea n SER 155 Cb 0.00 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 63.96 1uea n SER 155 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uea n GLU 156 N 0.00 1.01 -1.12 -1.46 -0.58 -1.26 -3.87 120.64 113.36 1uea n GLU 156 Ca 0.00 -0.52 -0.19 0.00 -0.42 0.00 0.00 57.16 56.04 1uea n GLU 156 Cb 0.00 -1.49 0.18 0.00 -0.57 0.00 0.00 31.44 29.56 1uea n GLU 156 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1uea n LYS 157 N -0.54 2.14 -2.03 3.49 4.01 -1.26 -4.71 118.16 119.25 1uea n LYS 157 Ca 0.15 -3.07 -0.28 0.00 -0.51 0.00 0.00 58.31 54.60 1uea n LYS 157 Cb 0.32 -2.08 0.09 0.00 -0.51 0.00 0.00 35.03 32.85 1uea n LYS 157 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1uea s GLY 158 N -1.67 1.65 0.16 0.72 0.00 -1.25 -4.88 107.32 102.06 1uea s GLY 158 Ca 0.54 -0.83 -0.20 0.00 0.00 0.00 0.00 44.72 44.22 1uea s GLY 158 CO 0.08 -0.35 1.64 -2.75 0.00 0.00 0.00 173.10 171.72 1uea h PHE 159 N -0.93 -0.52 -0.10 1.90 3.57 -1.95 -2.29 116.94 116.63 1uea h PHE 159 Ca -0.45 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1uea h PHE 159 Cb 1.31 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.31 1uea h PHE 159 CO 0.17 -0.28 -0.05 1.96 -2.23 0.00 0.00 178.31 177.88 1uea h GLN 160 N -0.15 -0.05 -0.79 1.11 4.20 -1.94 0.36 115.11 117.85 1uea h GLN 160 Ca 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1uea h GLN 160 Cb 0.42 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1uea h GLN 160 CO -0.44 -0.03 0.46 1.03 -0.67 0.00 0.00 178.83 179.17 1uea h SER 161 N -0.05 0.96 0.84 1.46 0.87 -1.81 0.12 113.55 115.94 1uea h SER 161 Ca 0.06 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1uea h SER 161 Cb 0.13 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1uea h SER 161 CO -0.13 0.75 -0.40 0.54 -0.53 0.00 0.00 176.83 177.06 1uea n ARG 162 N -4.37 0.14 0.00 2.24 1.74 -0.88 -4.59 116.66 110.95 1uea n ARG 162 Ca 0.08 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1uea n ARG 162 Cb 0.08 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1uea n ARG 162 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1uea n HIS 163 N -1.82 0.00 -3.60 -1.55 8.25 0.10 -4.27 115.22 112.32 1uea n HIS 163 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.27 1uea n HIS 163 Cb 0.39 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 1uea n HIS 163 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uea s LEU 164 N -1.13 4.14 -0.04 2.41 1.02 0.41 -1.34 118.68 124.14 1uea s LEU 164 Ca 0.00 0.34 -0.10 0.00 0.02 0.00 0.00 54.13 54.38 1uea s LEU 164 Cb 0.00 -3.16 0.02 0.00 0.02 0.00 0.00 46.19 43.07 1uea s LEU 164 CO 0.00 -0.18 0.23 0.00 0.02 0.00 0.00 176.35 176.42 1uea s ALA 165 N -2.14 -0.58 -0.81 4.21 0.00 -0.38 -4.76 121.76 117.30 1uea s ALA 165 Ca 0.38 0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 1uea s ALA 165 Cb -0.10 -0.10 0.15 0.00 0.00 0.00 0.00 23.12 23.08 1uea s ALA 165 CO 0.33 -0.19 0.90 0.00 0.00 0.00 0.00 175.76 176.79 1uea s LEU 167 N 1.84 4.13 0.46 0.00 1.02 -0.71 -4.39 118.68 121.02 1uea s LEU 167 Ca 0.22 0.24 -0.23 0.00 0.02 0.00 0.00 54.13 54.39 1uea s LEU 167 Cb -0.12 -2.44 -0.08 0.00 0.02 0.00 0.00 46.19 43.58 1uea s LEU 167 CO -0.05 0.27 1.12 -2.16 0.02 0.00 0.00 176.35 175.55 1uea s PRO 168 N -1.85 3.82 -0.03 1.29 0.04 -1.26 -0.29 135.00 136.72 1uea s PRO 168 Ca 0.25 1.66 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1uea s PRO 168 Cb -0.12 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1uea s PRO 168 CO 0.16 -0.47 -0.01 0.54 0.04 0.00 0.00 177.00 177.27 1uea n ARG 169 N -0.51 2.14 -3.49 4.56 1.74 0.10 -4.82 116.66 116.39 1uea n ARG 169 Ca 0.07 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.06 1uea n ARG 169 Cb 0.49 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.84 1uea n ARG 169 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1uea s GLU 170 N -2.06 0.93 0.05 5.56 -1.05 -0.59 -5.03 118.70 116.52 1uea s GLU 170 Ca -0.03 -0.28 -0.34 0.00 -0.15 0.00 0.00 54.97 54.18 1uea s GLU 170 Cb 0.01 0.43 -0.13 0.00 -0.44 0.00 0.00 34.13 34.00 1uea s GLU 170 CO 0.09 -0.40 1.73 -0.35 0.95 0.00 0.00 175.26 177.29 1uea n PRO 171 N -0.14 2.24 0.00 -4.83 -0.04 -1.26 -0.10 135.00 130.86 1uea n PRO 171 Ca -0.12 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1uea n PRO 171 Cb 0.62 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1uea n PRO 171 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uea n GLY 172 N 3.91 3.36 3.00 0.55 0.00 -1.26 -5.02 105.19 109.73 1uea n GLY 172 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1uea n GLY 172 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uea s LEU 173 N 0.00 1.56 0.15 0.99 2.96 0.85 -3.32 118.68 121.86 1uea s LEU 173 Ca 0.00 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1uea s LEU 173 Cb 0.00 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 1uea s LEU 173 CO 0.00 0.00 -0.17 0.00 -1.32 0.00 0.00 176.35 174.86 1uea s THR 175 N -2.01 0.10 -0.03 0.00 2.01 0.60 -4.71 115.64 111.60 1uea s THR 175 Ca 0.13 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 1uea s THR 175 Cb -0.06 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1uea s THR 175 CO 0.05 -0.45 1.53 0.26 -0.69 0.00 0.00 174.62 175.32 1uea s TRP 176 N -2.15 2.42 0.07 4.92 0.52 -1.26 -1.74 118.94 121.72 1uea s TRP 176 Ca -0.08 0.50 0.04 0.00 0.02 0.00 0.00 56.10 56.58 1uea s TRP 176 Cb -0.03 -3.79 -0.03 0.00 -1.15 0.00 0.00 33.47 28.46 1uea s TRP 176 CO -0.02 -3.16 -0.13 -0.65 0.02 0.00 0.00 176.95 173.02 1uea s GLN 177 N 3.25 0.77 0.12 4.98 -0.21 0.62 -4.95 119.66 124.24 1uea s GLN 177 Ca 0.68 -0.95 -0.30 0.00 0.02 0.00 0.00 55.36 54.81 1uea s GLN 177 Cb -0.32 -0.70 -0.07 0.00 1.00 0.00 0.00 33.01 32.92 1uea s GLN 177 CO 0.27 0.15 1.20 0.45 -2.12 0.00 0.00 175.29 175.24 1uea s SER 178 N -1.80 7.09 0.15 5.90 0.15 -1.26 -1.25 113.70 122.67 1uea s SER 178 Ca -0.02 2.11 0.11 0.00 0.70 0.00 0.00 55.95 58.84 1uea s SER 178 Cb -0.09 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.51 1uea s SER 178 CO 0.02 -0.42 1.22 -0.07 1.20 0.00 0.00 173.24 175.18 1uea h LEU 179 N 6.14 0.00 -0.23 3.45 3.38 -1.55 -3.47 115.31 123.02 1uea h LEU 179 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1uea h LEU 179 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1uea h LEU 179 CO 0.78 0.80 0.00 -1.14 0.09 0.00 0.00 178.44 178.98 1uea n ARG 180 N -3.23 0.00 0.00 1.13 0.63 -1.26 -4.94 116.66 108.99 1uea n ARG 180 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1uea n ARG 180 Cb 0.88 -0.38 0.00 0.00 0.45 0.00 0.00 32.46 33.41 1uea n ARG 180 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55