#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e4x n VAL 2 N 0.00 0.43 -4.05 1.69 0.31 -1.26 -3.73 118.33 111.72 1e4x n VAL 2 Ca 0.00 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 63.89 1e4x n VAL 2 Cb 0.00 -2.33 -0.11 0.00 -0.91 0.00 0.00 33.84 30.49 1e4x n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1e4x s GLN 3 N 5.75 0.49 -0.20 5.55 -0.21 0.25 -4.96 119.66 126.32 1e4x s GLN 3 Ca 0.99 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 55.56 1e4x s GLN 3 Cb -0.46 -0.06 0.04 0.00 1.00 0.00 0.00 33.01 33.53 1e4x s GLN 3 CO 0.40 -0.02 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.92 1e4x s LEU 4 N -1.86 2.43 -0.22 2.90 1.02 -1.26 0.65 118.68 122.35 1e4x s LEU 4 Ca -0.08 -0.92 -0.14 0.00 0.02 0.00 0.00 54.13 53.01 1e4x s LEU 4 Cb -0.06 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.78 1e4x s LEU 4 CO -0.02 -0.13 0.29 -1.58 0.02 0.00 0.00 176.35 174.94 1e4x s GLN 5 N 1.33 4.13 0.04 1.70 0.74 0.22 -4.30 119.66 123.52 1e4x s GLN 5 Ca -0.01 -0.00 0.06 0.00 0.05 0.00 0.00 55.36 55.45 1e4x s GLN 5 Cb -0.16 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.39 1e4x s GLN 5 CO -0.09 0.01 -0.16 -0.65 -0.55 0.00 0.00 175.29 173.85 1e4x s GLN 6 N 1.18 1.11 0.66 1.67 -0.21 -1.26 -1.28 119.66 121.52 1e4x s GLN 6 Ca 0.14 -0.81 -0.17 0.00 0.02 0.00 0.00 55.36 54.54 1e4x s GLN 6 Cb -0.14 -1.15 -0.01 0.00 1.00 0.00 0.00 33.01 32.70 1e4x s GLN 6 CO 0.06 0.29 1.14 -2.30 -2.12 0.00 0.00 175.29 172.37 1e4x n PRO 7 N 1.93 0.91 0.12 2.91 -0.02 -1.26 -4.82 135.00 134.76 1e4x n PRO 7 Ca -0.17 0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.62 1e4x n PRO 7 Cb 0.54 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1e4x n PRO 7 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1e4x h GLY 8 N 0.31 -0.33 -2.54 -1.23 0.00 -1.96 -3.35 103.07 93.98 1e4x h GLY 8 Ca -0.50 0.12 -0.23 0.00 0.00 0.00 0.00 47.33 46.72 1e4x h GLY 8 CO 0.51 -0.12 -0.57 0.00 0.00 0.00 0.00 176.54 176.36 1e4x s ALA 9 N -3.63 1.08 -0.28 3.60 0.00 -1.26 -0.50 121.76 120.77 1e4x s ALA 9 Ca -0.05 -1.65 -0.23 0.00 0.00 0.00 0.00 51.96 50.04 1e4x s ALA 9 Cb 0.00 1.37 0.09 0.00 0.00 0.00 0.00 23.12 24.58 1e4x s ALA 9 CO 0.14 -0.61 0.83 -1.83 0.00 0.00 0.00 175.76 174.28 1e4x s GLU 10 N -4.12 0.68 -0.19 0.00 -1.05 0.47 -4.85 118.70 109.64 1e4x s GLU 10 Ca 0.38 0.90 0.01 0.00 -0.15 0.00 0.00 54.97 56.11 1e4x s GLU 10 Cb 0.06 0.29 0.03 0.00 -0.44 0.00 0.00 34.13 34.07 1e4x s GLU 10 CO 0.12 -0.10 -0.17 -1.17 0.95 0.00 0.00 175.26 174.89 1e4x s LEU 11 N 0.63 2.28 0.08 1.83 1.98 -1.26 -0.13 118.68 124.09 1e4x s LEU 11 Ca -0.02 -0.75 0.07 0.00 -2.89 0.00 0.00 54.13 50.54 1e4x s LEU 11 Cb -0.05 -1.44 -0.03 0.00 0.66 0.00 0.00 46.19 45.33 1e4x s LEU 11 CO -0.06 -0.04 -0.18 -0.69 -1.89 0.00 0.00 176.35 173.48 1e4x s VAL 12 N 1.29 1.46 0.68 1.68 1.01 -0.22 -4.98 120.40 121.33 1e4x s VAL 12 Ca 0.03 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 1e4x s VAL 12 Cb -0.14 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 34.95 1e4x s VAL 12 CO -0.11 -0.05 1.00 -1.59 0.00 0.00 0.00 175.10 174.35 1e4x s LYS 13 N -1.63 2.38 0.22 2.72 0.00 -1.25 -1.68 119.74 120.49 1e4x s LYS 13 Ca 0.04 -0.15 -0.30 0.00 0.00 0.00 0.00 55.97 55.55 1e4x s LYS 13 Cb -0.09 -2.17 -0.10 0.00 0.00 0.00 0.00 37.83 35.46 1e4x s LYS 13 CO 0.03 -1.13 1.47 -2.14 0.00 0.00 0.00 175.35 173.58 1e4x s PRO 14 N -5.21 4.26 0.00 1.78 0.02 -1.26 -3.93 135.00 130.66 1e4x s PRO 14 Ca 0.59 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1e4x s PRO 14 Cb -0.11 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1e4x s PRO 14 CO 0.45 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 177.07 1e4x n GLY 15 N 2.67 3.39 0.00 0.52 0.00 0.42 -4.93 105.19 107.27 1e4x n GLY 15 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1e4x n GLY 15 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1e4x n PRO 16 N 0.00 0.77 -4.37 1.61 -0.02 -1.25 -4.09 135.00 127.65 1e4x n PRO 16 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 1e4x n PRO 16 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 1e4x n PRO 16 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1e4x s SER 17 N -1.33 1.71 -0.01 2.55 1.04 -1.26 -1.10 113.70 115.30 1e4x s SER 17 Ca 0.00 -1.50 -0.08 0.00 0.48 0.00 0.00 55.95 54.85 1e4x s SER 17 Cb 0.00 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1e4x s SER 17 CO 0.00 -0.81 0.17 0.54 0.98 0.00 0.00 173.24 174.12 1e4x s VAL 18 N -3.56 0.07 -0.35 5.02 0.11 -0.95 -5.00 120.40 115.74 1e4x s VAL 18 Ca 0.35 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.84 1e4x s VAL 18 Cb 0.06 -0.45 0.10 0.00 -1.53 0.00 0.00 36.38 34.56 1e4x s VAL 18 CO 0.16 -0.32 0.07 -0.75 -3.33 0.00 0.00 175.10 170.92 1e4x s LYS 19 N -1.22 1.56 0.16 1.54 2.20 -1.26 -1.70 119.74 121.02 1e4x s LYS 19 Ca -0.13 -1.86 -0.27 0.00 -0.36 0.00 0.00 55.97 53.34 1e4x s LYS 19 Cb -0.07 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 32.92 1e4x s LYS 19 CO 0.02 -0.95 0.85 -0.51 -0.36 0.00 0.00 175.35 174.40 1e4x s LEU 20 N 0.94 4.57 0.16 5.43 1.43 0.20 -4.88 118.68 126.53 1e4x s LEU 20 Ca 0.10 1.73 0.07 0.00 -1.03 0.00 0.00 54.13 55.00 1e4x s LEU 20 Cb -0.20 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1e4x s LEU 20 CO -0.07 0.12 -0.02 -0.94 0.23 0.00 0.00 176.35 175.66 1e4x s SER 21 N -0.81 4.68 -0.34 2.29 1.04 -1.26 -0.24 113.70 119.06 1e4x s SER 21 Ca 0.39 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 1e4x s SER 21 Cb -0.24 -0.97 0.13 0.00 0.10 0.00 0.00 66.02 65.04 1e4x s SER 21 CO 0.28 0.11 0.19 0.00 0.98 0.00 0.00 173.24 174.79 1e4x s LYS 23 N 1.30 3.37 -0.20 0.00 2.20 -0.40 -1.33 119.74 124.68 1e4x s LYS 23 Ca 0.15 -0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 1e4x s LYS 23 Cb -0.21 -4.02 0.01 0.00 -1.51 0.00 0.00 37.83 32.10 1e4x s LYS 23 CO -0.10 -1.39 1.04 0.00 -0.36 0.00 0.00 175.35 174.54 1e4x s ALA 24 N 3.81 3.63 -0.27 3.13 0.00 -0.37 0.69 121.76 132.38 1e4x s ALA 24 Ca 0.31 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1e4x s ALA 24 Cb -0.12 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.55 1e4x s ALA 24 CO 0.21 -0.96 0.01 -1.12 0.00 0.00 0.00 175.76 173.90 1e4x s SER 25 N 1.19 3.97 0.00 0.00 0.01 0.21 -4.66 113.70 114.42 1e4x s SER 25 Ca 0.45 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1e4x s SER 25 Cb -0.16 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1e4x s SER 25 CO 0.09 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1e4x n GLY 26 N 4.67 0.81 3.66 3.44 0.00 -1.24 0.85 105.19 117.37 1e4x n GLY 26 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 1e4x n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1e4x s PHE 27 N -1.69 -0.23 -0.28 1.61 -0.71 -1.26 -4.34 117.98 111.08 1e4x s PHE 27 Ca 0.00 -0.02 -0.08 0.00 -1.04 0.00 0.00 56.93 55.79 1e4x s PHE 27 Cb 0.00 0.61 -0.01 0.00 -1.21 0.00 0.00 43.02 42.41 1e4x s PHE 27 CO 0.00 -0.76 0.10 0.99 -1.34 0.00 0.00 175.22 174.20 1e4x s THR 28 N -3.30 4.28 -2.00 -4.49 2.01 -1.26 -5.00 115.64 105.87 1e4x s THR 28 Ca 0.09 -0.42 0.12 0.00 0.31 0.00 0.00 61.69 61.78 1e4x s THR 28 Cb -0.02 -3.12 0.34 0.00 0.01 0.00 0.00 72.50 69.71 1e4x s THR 28 CO -0.02 0.17 1.24 2.22 -0.69 0.00 0.00 174.62 177.54 1e4x n PHE 29 N 4.92 0.00 -0.24 4.92 -1.74 -1.26 -4.54 117.46 119.52 1e4x n PHE 29 Ca -0.15 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.75 1e4x n PHE 29 Cb 0.50 0.00 0.09 0.00 1.52 0.00 0.00 39.48 41.58 1e4x n PHE 29 CO 0.00 0.00 0.00 1.15 -0.56 0.00 0.00 176.76 177.35 1e4x h THR 30 N 0.00 0.31 -0.60 1.97 2.02 -1.94 -2.47 112.91 112.19 1e4x h THR 30 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1e4x h THR 30 Cb 0.00 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1e4x h THR 30 CO 0.00 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.48 1e4x n ASN 31 N -5.45 3.54 -4.42 4.18 3.02 -1.26 -1.66 115.26 113.21 1e4x n ASN 31 Ca 0.10 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.31 1e4x n ASN 31 Cb 0.37 -0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.01 1e4x n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1e4x s TYR 32 N -1.20 3.02 0.27 3.10 1.51 -0.93 -4.84 117.35 118.28 1e4x s TYR 32 Ca 0.44 -0.55 -0.30 0.00 -1.01 0.00 0.00 57.07 55.65 1e4x s TYR 32 Cb 0.23 -2.10 -0.14 0.00 -0.11 0.00 0.00 41.96 39.84 1e4x s TYR 32 CO 0.31 -0.32 1.19 0.91 -1.11 0.00 0.00 175.55 176.54 1e4x n TRP 33 N 4.43 1.71 -3.80 2.71 7.02 -0.35 -4.44 117.44 124.72 1e4x n TRP 33 Ca -0.17 0.60 -0.36 0.00 -1.02 0.00 0.00 57.50 56.54 1e4x n TRP 33 Cb 0.52 -2.34 -0.13 0.00 -2.42 0.00 0.00 31.31 26.93 1e4x n TRP 33 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1e4x s MET 34 N -1.14 3.33 0.29 -0.99 -1.94 0.01 -1.70 119.30 117.17 1e4x s MET 34 Ca 0.63 -0.68 0.06 0.00 -1.71 0.00 0.00 55.69 53.99 1e4x s MET 34 Cb -0.69 -3.26 -0.02 0.00 2.01 0.00 0.00 34.83 32.87 1e4x s MET 34 CO 0.57 -0.30 0.36 -1.01 -0.01 0.00 0.00 175.02 174.63 1e4x s HIS 35 N 1.53 3.20 -0.02 -0.03 3.76 0.32 -1.46 115.29 122.59 1e4x s HIS 35 Ca 0.04 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 1e4x s HIS 35 Cb -0.16 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.83 1e4x s HIS 35 CO 0.01 0.26 0.01 -1.58 -0.85 0.00 0.00 174.74 172.59 1e4x s TRP 36 N -2.12 0.12 0.01 1.40 0.52 -0.39 -0.99 118.94 117.50 1e4x s TRP 36 Ca 0.39 0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.58 1e4x s TRP 36 Cb -0.09 -0.24 -0.01 0.00 -1.15 0.00 0.00 33.47 31.98 1e4x s TRP 36 CO 0.29 -0.08 -0.04 0.14 0.02 0.00 0.00 176.95 177.28 1e4x s VAL 37 N 0.80 0.29 -0.12 4.03 -7.23 -0.21 0.15 120.40 118.10 1e4x s VAL 37 Ca -0.07 -0.43 -0.05 0.00 -1.81 0.00 0.00 61.98 59.62 1e4x s VAL 37 Cb -0.10 -0.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 1e4x s VAL 37 CO -0.02 -0.10 0.08 -0.75 -0.31 0.00 0.00 175.10 174.00 1e4x s LYS 38 N -0.56 3.39 -0.07 4.82 2.20 -0.26 -0.25 119.74 129.00 1e4x s LYS 38 Ca -0.03 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1e4x s LYS 38 Cb -0.04 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1e4x s LYS 38 CO -0.00 0.66 -0.07 -1.14 -0.36 0.00 0.00 175.35 174.43 1e4x s GLN 39 N -0.71 1.23 0.21 4.03 0.74 0.13 -0.99 119.66 124.30 1e4x s GLN 39 Ca 0.12 -0.21 0.11 0.00 0.05 0.00 0.00 55.36 55.43 1e4x s GLN 39 Cb -0.12 -1.19 -0.04 0.00 1.10 0.00 0.00 33.01 32.76 1e4x s GLN 39 CO 0.03 -0.11 -0.21 1.03 -0.55 0.00 0.00 175.29 175.48 1e4x s ARG 40 N 1.11 1.63 0.04 1.67 0.52 -1.09 -0.94 118.95 121.90 1e4x s ARG 40 Ca -0.07 -1.52 -0.30 0.00 -0.52 0.00 0.00 55.73 53.32 1e4x s ARG 40 Cb -0.14 -1.89 -0.17 0.00 0.52 0.00 0.00 34.95 33.28 1e4x s ARG 40 CO -0.01 0.39 1.37 -1.35 0.02 0.00 0.00 175.30 175.72 1e4x h PRO 41 N 3.00 -1.04 -0.21 3.54 0.11 -1.95 -3.36 132.00 132.09 1e4x h PRO 41 Ca -0.45 0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.73 1e4x h PRO 41 Cb 1.22 0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.55 1e4x h PRO 41 CO 0.51 -0.69 0.12 0.78 -0.21 0.00 0.00 178.00 178.51 1e4x h GLY 42 N -1.15 0.29 0.00 -0.55 0.00 -2.02 -3.41 103.07 96.23 1e4x h GLY 42 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1e4x h GLY 42 CO 0.18 0.09 0.00 -1.06 0.00 0.00 0.00 176.54 175.75 1e4x n GLN 43 N -4.97 3.16 0.00 4.80 3.00 -1.26 -5.12 117.38 116.99 1e4x n GLN 43 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1e4x n GLN 43 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.28 1e4x n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1e4x n GLY 44 N 4.80 5.06 3.59 1.08 0.00 -1.26 -4.82 105.19 113.64 1e4x n GLY 44 Ca 0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1e4x n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e4x s LEU 45 N 0.00 3.21 -0.07 0.99 1.02 -1.26 -2.66 118.68 119.91 1e4x s LEU 45 Ca 0.00 -0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.16 1e4x s LEU 45 Cb 0.00 -1.71 0.01 0.00 0.02 0.00 0.00 46.19 44.52 1e4x s LEU 45 CO 0.00 0.35 -0.12 -1.61 0.02 0.00 0.00 176.35 174.99 1e4x s GLU 46 N -0.74 1.76 -0.23 1.70 2.02 -0.16 -5.00 118.70 118.05 1e4x s GLU 46 Ca 0.11 -0.42 -0.28 0.00 0.02 0.00 0.00 54.97 54.39 1e4x s GLU 46 Cb -0.11 -1.47 0.01 0.00 0.10 0.00 0.00 34.13 32.65 1e4x s GLU 46 CO 0.02 0.01 1.01 -0.46 0.02 0.00 0.00 175.26 175.85 1e4x s TRP 47 N 0.74 3.34 -0.06 1.61 -0.00 -1.26 -1.10 118.94 122.21 1e4x s TRP 47 Ca -0.13 1.43 -0.12 0.00 -0.00 0.00 0.00 56.10 57.28 1e4x s TRP 47 Cb -0.16 -3.23 -0.07 0.00 -0.00 0.00 0.00 33.47 30.01 1e4x s TRP 47 CO 0.03 -0.46 0.47 0.82 -0.00 0.00 0.00 176.95 177.81 1e4x h ILE 48 N 5.43 0.14 -1.31 5.86 2.04 0.10 -3.41 117.51 126.36 1e4x h ILE 48 Ca -0.20 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 64.93 1e4x h ILE 48 Cb 1.07 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1e4x h ILE 48 CO 0.96 0.04 0.22 0.61 0.00 0.00 0.00 178.15 179.98 1e4x n GLY 49 N 0.86 0.44 3.41 5.37 0.00 -1.16 -0.53 105.19 113.59 1e4x n GLY 49 Ca -0.05 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 1e4x n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1e4x s GLU 50 N -2.00 0.98 -0.01 1.61 -1.05 0.26 -1.26 118.70 117.23 1e4x s GLU 50 Ca 0.07 -0.04 0.01 0.00 -0.15 0.00 0.00 54.97 54.86 1e4x s GLU 50 Cb -0.00 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1e4x s GLU 50 CO -0.00 -0.32 -0.04 -1.50 0.95 0.00 0.00 175.26 174.34 1e4x s ILE 51 N -1.77 0.35 -0.48 1.83 2.07 -0.53 -0.32 121.20 122.34 1e4x s ILE 51 Ca -0.09 -0.17 -0.24 0.00 -1.41 0.00 0.00 60.65 58.75 1e4x s ILE 51 Cb -0.01 -0.31 0.03 0.00 0.13 0.00 0.00 42.46 42.30 1e4x s ILE 51 CO 0.04 0.11 0.84 -0.22 -1.91 0.00 0.00 174.94 173.80 1e4x s LEU 52 N 0.03 4.20 0.59 8.50 2.96 0.16 -0.81 118.68 134.31 1e4x s LEU 52 Ca 0.00 -0.15 0.28 0.00 -0.22 0.00 0.00 54.13 54.04 1e4x s LEU 52 Cb -0.03 -2.96 1.66 0.00 0.50 0.00 0.00 46.19 45.36 1e4x s LEU 52 CO -0.00 -1.01 2.12 -0.65 -1.32 0.00 0.00 176.35 175.49 1e4x h PRO 52 N 9.07 0.00 -0.62 0.98 0.11 -1.78 0.25 132.00 140.01 1e4x h PRO 52 Ca -0.25 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.95 1e4x h PRO 52 Cb 1.08 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.08 1e4x h PRO 52 CO 1.00 0.00 -0.42 1.03 -0.21 0.00 0.00 178.00 179.40 1e4x h SER 53 N 0.00 -1.46 0.00 -2.05 0.87 -1.60 -3.30 113.55 106.00 1e4x h SER 53 Ca 0.08 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1e4x h SER 53 Cb 0.42 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1e4x h SER 53 CO -0.00 -0.32 0.00 -0.46 -0.53 0.00 0.00 176.83 175.51 1e4x n ASN 54 N -5.41 0.98 -0.55 6.23 0.23 -1.14 -5.01 115.26 110.59 1e4x n ASN 54 Ca 0.03 -1.38 -0.07 0.00 -0.53 0.00 0.00 54.58 52.62 1e4x n ASN 54 Cb 0.35 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.02 1e4x n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1e4x n GLY 55 N -0.19 0.91 3.76 4.83 0.00 0.06 -4.99 105.19 109.56 1e4x n GLY 55 Ca 0.00 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 1e4x n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e4x s ARG 56 N -2.33 3.38 0.11 1.61 0.52 -1.22 -4.70 118.95 116.33 1e4x s ARG 56 Ca 0.00 2.24 0.04 0.00 -0.52 0.00 0.00 55.73 57.49 1e4x s ARG 56 Cb 0.00 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 1e4x s ARG 56 CO 0.00 -1.00 -0.09 0.95 0.02 0.00 0.00 175.30 175.18 1e4x s THR 57 N -1.29 0.96 -0.04 0.02 -4.23 -1.26 -0.66 115.64 109.14 1e4x s THR 57 Ca 0.67 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 59.36 1e4x s THR 57 Cb -0.40 -1.55 0.03 0.00 1.34 0.00 0.00 72.50 71.92 1e4x s THR 57 CO 0.49 -0.66 0.03 0.20 -0.54 0.00 0.00 174.62 174.14 1e4x s ASN 58 N -2.75 0.93 0.09 3.99 0.01 0.57 -4.99 114.94 112.79 1e4x s ASN 58 Ca 0.10 0.02 0.08 0.00 -0.71 0.00 0.00 52.86 52.34 1e4x s ASN 58 Cb 0.00 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.42 1e4x s ASN 58 CO -0.01 -0.19 -0.15 -0.31 -1.51 0.00 0.00 177.10 174.93 1e4x s TYR 59 N 1.74 2.63 0.16 2.20 2.02 -1.26 -0.58 117.35 124.26 1e4x s TYR 59 Ca -0.00 -0.21 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 1e4x s TYR 59 Cb -0.12 -1.41 -0.08 0.00 -0.40 0.00 0.00 41.96 39.95 1e4x s TYR 59 CO -0.03 0.37 1.20 1.21 -1.57 0.00 0.00 175.55 176.73 1e4x s ASN 60 N -1.98 7.09 0.39 2.29 3.84 0.31 -4.88 114.94 122.00 1e4x s ASN 60 Ca 0.18 2.19 0.14 0.00 0.21 0.00 0.00 52.86 55.59 1e4x s ASN 60 Cb -0.11 -2.60 0.98 0.00 -0.55 0.00 0.00 41.25 38.97 1e4x s ASN 60 CO 0.10 -0.39 1.85 -0.33 -2.79 0.00 0.00 177.10 175.54 1e4x h GLU 61 N 5.55 0.50 -0.22 0.43 4.39 -1.95 0.11 114.58 123.38 1e4x h GLU 61 Ca -0.44 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.28 1e4x h GLU 61 Cb 1.21 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1e4x h GLU 61 CO 0.76 0.33 0.16 -0.22 -1.16 0.00 0.00 179.01 178.87 1e4x h LYS 62 N 0.51 0.07 -0.09 2.33 3.64 -1.94 -3.06 116.57 118.03 1e4x h LYS 62 Ca 0.48 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1e4x h LYS 62 Cb 1.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1e4x h LYS 62 CO -0.21 0.04 0.00 1.19 -2.27 0.00 0.00 179.45 178.20 1e4x n PHE 63 N -4.48 0.10 -0.15 1.91 3.72 0.35 -4.75 117.46 114.15 1e4x n PHE 63 Ca 0.02 -0.10 0.18 0.00 -0.05 0.00 0.00 57.45 57.50 1e4x n PHE 63 Cb 0.25 -0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.35 1e4x n PHE 63 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1e4x h LYS 64 N 2.35 0.29 -0.01 -1.08 1.57 -1.38 -1.05 116.57 117.25 1e4x h LYS 64 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1e4x h LYS 64 Cb 0.56 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1e4x h LYS 64 CO 0.00 0.19 -0.50 0.25 -0.57 0.00 0.00 179.45 178.82 1e4x n THR 65 N -4.45 0.00 -0.08 -0.16 -2.24 -1.26 -4.39 114.28 101.70 1e4x n THR 65 Ca 0.15 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.48 1e4x n THR 65 Cb 0.62 1.23 -0.12 0.00 -2.10 0.00 0.00 70.33 69.96 1e4x n THR 65 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1e4x n LYS 66 N -0.10 0.68 -4.90 -0.78 3.00 -0.71 -4.98 118.16 110.37 1e4x n LYS 66 Ca 0.09 0.24 -0.33 0.00 -0.00 0.00 0.00 58.31 58.31 1e4x n LYS 66 Cb 0.46 -1.60 -0.14 0.00 0.00 0.00 0.00 35.03 33.75 1e4x n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1e4x s ALA 67 N -2.52 2.62 -0.11 3.14 0.00 -0.48 -3.91 121.76 120.50 1e4x s ALA 67 Ca -0.30 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1e4x s ALA 67 Cb 0.09 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1e4x s ALA 67 CO 0.65 0.50 -0.16 0.99 0.00 0.00 0.00 175.76 177.74 1e4x s THR 68 N -0.53 1.54 -0.12 0.00 2.01 0.55 -4.74 115.64 114.36 1e4x s THR 68 Ca 0.07 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1e4x s THR 68 Cb -0.12 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1e4x s THR 68 CO 0.01 0.45 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.60 1e4x s LEU 69 N 0.92 3.34 0.31 4.42 1.02 -1.26 -0.74 118.68 126.69 1e4x s LEU 69 Ca -0.08 -0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.07 1e4x s LEU 69 Cb -0.15 -1.78 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 1e4x s LEU 69 CO -0.01 0.27 0.12 0.42 0.02 0.00 0.00 176.35 177.18 1e4x s THR 70 N -0.22 0.53 -0.01 5.49 -4.23 -0.81 -4.99 115.64 111.39 1e4x s THR 70 Ca 0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1e4x s THR 70 Cb -0.13 -2.56 -0.00 0.00 1.34 0.00 0.00 72.50 71.15 1e4x s THR 70 CO 0.02 0.00 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.34 1e4x s VAL 71 N -3.57 0.64 -0.34 2.29 1.01 -1.26 -0.82 120.40 118.34 1e4x s VAL 71 Ca 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1e4x s VAL 71 Cb 0.06 -0.55 0.11 0.00 0.00 0.00 0.00 36.38 36.00 1e4x s VAL 71 CO 0.16 0.19 0.14 -0.62 0.00 0.00 0.00 175.10 174.97 1e4x s ASP 72 N 0.01 3.83 -0.27 3.32 2.15 0.22 -5.00 116.67 120.92 1e4x s ASP 72 Ca 0.00 -1.88 -0.02 0.00 0.43 0.00 0.00 52.55 51.08 1e4x s ASP 72 Cb -0.05 -0.83 -0.03 0.00 -0.30 0.00 0.00 42.92 41.70 1e4x s ASP 72 CO -0.00 -0.38 1.41 0.29 -0.17 0.00 0.00 175.17 176.32 1e4x n LYS 73 N 4.52 0.77 -0.09 4.34 5.02 -1.26 -2.48 118.16 128.97 1e4x n LYS 73 Ca 0.01 -0.71 -0.14 0.00 -2.02 0.00 0.00 58.31 55.45 1e4x n LYS 73 Cb 0.40 -2.02 -0.09 0.00 -0.02 0.00 0.00 35.03 33.30 1e4x n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1e4x n SER 74 N 4.12 2.41 0.00 4.39 3.41 -1.26 -4.42 113.62 122.27 1e4x n SER 74 Ca 0.16 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1e4x n SER 74 Cb 0.11 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1e4x n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1e4x n SER 75 N -3.15 0.37 -2.70 4.04 7.64 -1.23 -4.97 113.62 113.62 1e4x n SER 75 Ca -0.34 -1.09 -0.01 0.00 1.01 0.00 0.00 58.87 58.44 1e4x n SER 75 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1e4x n SER 75 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1e4x n ASN 76 N -0.04 -6.58 -4.10 6.43 0.23 -1.23 -4.00 115.26 105.97 1e4x n ASN 76 Ca 0.00 0.02 -0.25 0.00 -0.53 0.00 0.00 54.58 53.82 1e4x n ASN 76 Cb 0.26 -4.40 -0.16 0.00 -2.08 0.00 0.00 39.78 33.39 1e4x n ASN 76 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1e4x s THR 77 N -2.88 1.28 0.12 5.53 2.01 -1.04 -1.24 115.64 119.43 1e4x s THR 77 Ca 0.03 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.46 1e4x s THR 77 Cb -0.01 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1e4x s THR 77 CO 0.59 0.38 0.06 0.00 -0.69 0.00 0.00 174.62 174.96 1e4x s ALA 78 N 0.16 3.43 0.03 7.40 0.00 -0.44 0.71 121.76 133.07 1e4x s ALA 78 Ca -0.05 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1e4x s ALA 78 Cb -0.12 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 1e4x s ALA 78 CO 0.02 0.63 -0.08 0.71 0.00 0.00 0.00 175.76 177.04 1e4x s TYR 79 N -1.52 0.70 -0.15 0.00 2.02 -0.00 -0.43 117.35 117.97 1e4x s TYR 79 Ca 0.28 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1e4x s TYR 79 Cb -0.11 -0.42 0.04 0.00 -0.40 0.00 0.00 41.96 41.07 1e4x s TYR 79 CO 0.21 -0.05 -0.05 1.41 -1.57 0.00 0.00 175.55 175.50 1e4x s MET 80 N -1.25 1.37 -0.21 -0.62 1.75 0.66 -1.92 119.30 119.07 1e4x s MET 80 Ca -0.06 -0.42 -0.09 0.00 -1.25 0.00 0.00 55.69 53.87 1e4x s MET 80 Cb -0.08 -1.86 -0.04 0.00 2.84 0.00 0.00 34.83 35.69 1e4x s MET 80 CO 0.00 -0.40 0.11 -1.14 -0.65 0.00 0.00 175.02 172.94 1e4x s GLN 81 N 1.68 4.02 0.43 4.11 0.74 0.08 0.58 119.66 131.31 1e4x s GLN 81 Ca 0.02 -0.31 0.07 0.00 0.05 0.00 0.00 55.36 55.19 1e4x s GLN 81 Cb -0.15 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 1e4x s GLN 81 CO -0.08 0.18 0.21 -0.51 -0.55 0.00 0.00 175.29 174.54 1e4x s LEU 82 N 0.67 3.09 0.00 3.68 1.02 -0.69 -0.33 118.68 126.13 1e4x s LEU 82 Ca 0.06 -1.07 0.00 0.00 0.02 0.00 0.00 54.13 53.13 1e4x s LEU 82 Cb -0.13 -1.47 0.00 0.00 0.02 0.00 0.00 46.19 44.62 1e4x s LEU 82 CO 0.01 -0.61 0.00 -0.24 0.02 0.00 0.00 176.35 175.53 1e4x n SER 82 N -1.31 0.00 -4.77 2.29 2.88 -0.92 -2.25 113.62 109.53 1e4x n SER 82 Ca -0.01 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.13 1e4x n SER 82 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1e4x n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1e4x s LEU 82 N 0.00 4.19 0.22 2.46 1.43 -0.26 -4.67 118.68 122.05 1e4x s LEU 82 Ca 0.00 2.80 -0.00 0.00 -1.03 0.00 0.00 54.13 55.90 1e4x s LEU 82 Cb 0.00 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1e4x s LEU 82 CO 0.00 -0.98 0.11 0.42 0.23 0.00 0.00 176.35 176.13 1e4x s THR 83 N -1.22 0.23 0.43 5.49 -4.23 -1.26 -0.43 115.64 114.65 1e4x s THR 83 Ca 0.58 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.32 1e4x s THR 83 Cb -0.41 -2.54 0.43 0.00 1.34 0.00 0.00 72.50 71.32 1e4x s THR 83 CO 0.53 -0.02 1.78 0.28 -0.54 0.00 0.00 174.62 176.65 1e4x h SER 84 N 2.54 0.34 0.42 3.99 0.02 -1.97 0.34 113.55 119.22 1e4x h SER 84 Ca -0.37 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1e4x h SER 84 Cb 1.25 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1e4x h SER 84 CO 0.56 0.06 0.00 -0.62 -1.14 0.00 0.00 176.83 175.69 1e4x n GLU 85 N -4.53 0.06 0.00 3.45 -0.58 -1.26 -1.70 120.64 116.08 1e4x n GLU 85 Ca 0.25 0.23 0.14 0.00 -0.42 0.00 0.00 57.16 57.36 1e4x n GLU 85 Cb 0.97 -1.50 0.50 0.00 -0.57 0.00 0.00 31.44 30.84 1e4x n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1e4x n ASP 86 N -1.44 1.08 -4.69 1.62 8.00 0.12 -4.88 116.55 116.37 1e4x n ASP 86 Ca 0.04 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 54.02 1e4x n ASP 86 Cb 0.15 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1e4x n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1e4x s SER 87 N -2.26 6.89 0.00 -2.24 0.01 -0.69 -4.86 113.70 110.54 1e4x s SER 87 Ca 0.32 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1e4x s SER 87 Cb 0.20 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1e4x s SER 87 CO 0.43 -0.70 0.00 0.00 0.41 0.00 0.00 173.24 173.38 1e4x n ALA 88 N 5.43 0.00 -2.84 1.44 0.00 -0.78 -4.89 120.51 118.87 1e4x n ALA 88 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 1e4x n ALA 88 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 1e4x n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1e4x s VAL 89 N -2.60 4.24 -0.18 0.00 1.01 -0.12 -0.40 120.40 122.35 1e4x s VAL 89 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1e4x s VAL 89 Cb 0.00 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1e4x s VAL 89 CO 0.00 0.52 -0.09 -0.31 0.00 0.00 0.00 175.10 175.22 1e4x s TYR 90 N 0.00 2.90 0.14 5.22 2.02 -0.41 0.18 117.35 127.40 1e4x s TYR 90 Ca 0.03 -0.85 0.06 0.00 -0.37 0.00 0.00 57.07 55.93 1e4x s TYR 90 Cb -0.13 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 1e4x s TYR 90 CO 0.02 -0.41 0.04 0.71 -1.57 0.00 0.00 175.55 174.34 1e4x s TYR 91 N 0.98 3.00 0.16 2.71 2.02 0.66 -0.94 117.35 125.95 1e4x s TYR 91 Ca -0.01 -0.05 0.09 0.00 -0.37 0.00 0.00 57.07 56.73 1e4x s TYR 91 Cb -0.15 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 1e4x s TYR 91 CO -0.01 0.51 -0.12 0.00 -1.57 0.00 0.00 175.55 174.36 1e4x s ALA 93 N -1.58 -1.13 0.30 0.00 0.00 -0.16 -1.22 121.76 117.97 1e4x s ALA 93 Ca 0.23 0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.40 1e4x s ALA 93 Cb -0.09 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1e4x s ALA 93 CO 0.14 -0.67 0.21 -0.98 0.00 0.00 0.00 175.76 174.46 1e4x s ARG 94 N -3.70 2.73 -0.24 0.00 1.70 -0.38 0.12 118.95 119.19 1e4x s ARG 94 Ca 0.02 -1.23 -0.10 0.00 -0.47 0.00 0.00 55.73 53.95 1e4x s ARG 94 Cb 0.01 -2.45 0.10 0.00 -0.57 0.00 0.00 34.95 32.03 1e4x s ARG 94 CO -0.12 0.25 0.53 -1.54 -1.08 0.00 0.00 175.30 173.34 1e4x s SER 95 N -3.89 -0.68 0.39 -2.89 1.04 -0.69 -3.23 113.70 103.75 1e4x s SER 95 Ca 0.36 1.24 0.05 0.00 0.48 0.00 0.00 55.95 58.08 1e4x s SER 95 Cb -0.06 1.54 0.05 0.00 0.10 0.00 0.00 66.02 67.65 1e4x s SER 95 CO 0.25 -0.22 0.42 -0.81 0.98 0.00 0.00 173.24 173.85 1e4x n PRO 96 N 5.03 0.83 -3.85 4.02 -0.04 -1.26 -1.21 135.00 138.52 1e4x n PRO 96 Ca -0.14 -2.25 -0.25 0.00 -0.04 0.00 0.00 63.50 60.82 1e4x n PRO 96 Cb 0.52 0.04 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1e4x n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1e4x n SER 97 N -2.21 -1.33 -4.76 3.54 2.88 -1.26 -4.77 113.62 105.71 1e4x n SER 97 Ca 0.05 -0.97 -0.41 0.00 -1.33 0.00 0.00 58.87 56.21 1e4x n SER 97 Cb 0.42 -3.32 -0.01 0.00 -0.75 0.00 0.00 64.21 60.54 1e4x n SER 97 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1e4x s ASP 98 N -4.22 6.41 0.02 -3.46 1.11 -1.25 -4.98 116.67 110.30 1e4x s ASP 98 Ca 0.08 2.94 0.03 0.00 0.18 0.00 0.00 52.55 55.78 1e4x s ASP 98 Cb -0.03 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.30 1e4x s ASP 98 CO 0.87 -0.87 -0.10 -0.31 1.18 0.00 0.00 175.17 175.94 1e4x s TYR 99 N -0.28 0.83 0.26 4.23 1.51 -1.20 -4.96 117.35 117.75 1e4x s TYR 99 Ca 0.60 -0.30 0.11 0.00 -1.01 0.00 0.00 57.07 56.48 1e4x s TYR 99 Cb -0.47 -0.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.83 1e4x s TYR 99 CO 0.51 -0.02 -0.19 -1.58 -1.11 0.00 0.00 175.55 173.16 1e4x s TRP 100 N -0.72 2.21 0.76 2.71 0.52 -1.26 -1.24 118.94 121.92 1e4x s TRP 100 Ca -0.01 -0.37 -0.06 0.00 0.02 0.00 0.00 56.10 55.68 1e4x s TRP 100 Cb -0.06 -0.97 0.16 0.00 -1.15 0.00 0.00 33.47 31.45 1e4x s TRP 100 CO 0.00 0.65 1.04 0.41 0.02 0.00 0.00 176.95 179.08 1e4x n GLY 101 N -0.52 -0.23 0.25 0.98 0.00 -0.35 -4.56 105.19 100.75 1e4x n GLY 101 Ca -0.06 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.21 1e4x n GLY 101 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1e4x h GLN 102 N 0.00 0.00 0.00 1.61 4.20 -1.89 -3.45 115.11 115.58 1e4x h GLN 102 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1e4x h GLN 102 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1e4x h GLN 102 CO 0.31 0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.89 1e4x n GLY 103 N 0.58 0.64 3.24 3.46 0.00 -1.26 -5.02 105.19 106.84 1e4x n GLY 103 Ca 0.02 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1e4x n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e4x s THR 104 N -2.01 2.69 -0.26 2.61 2.01 -0.11 -4.58 115.64 115.99 1e4x s THR 104 Ca 0.00 -0.75 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 1e4x s THR 104 Cb 0.00 -2.16 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1e4x s THR 104 CO 0.00 0.50 0.81 -0.89 -0.69 0.00 0.00 174.62 174.36 1e4x s THR 105 N 1.05 4.83 -0.24 -0.82 2.01 0.34 -1.28 115.64 121.52 1e4x s THR 105 Ca -0.01 1.48 -0.06 0.00 0.31 0.00 0.00 61.69 63.41 1e4x s THR 105 Cb -0.15 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 1e4x s THR 105 CO -0.04 -0.11 0.02 -0.22 -0.69 0.00 0.00 174.62 173.59 1e4x s LEU 106 N 2.86 3.27 -0.20 4.42 1.98 0.46 -0.40 118.68 131.07 1e4x s LEU 106 Ca 0.34 -0.37 -0.06 0.00 -2.89 0.00 0.00 54.13 51.15 1e4x s LEU 106 Cb -0.15 -1.84 -0.03 0.00 0.66 0.00 0.00 46.19 44.84 1e4x s LEU 106 CO 0.08 -0.05 0.02 -0.89 -1.89 0.00 0.00 176.35 173.62 1e4x s THR 107 N 1.54 4.14 -0.28 3.68 2.01 0.82 -1.87 115.64 125.67 1e4x s THR 107 Ca 0.05 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 1e4x s THR 107 Cb -0.15 -2.88 0.03 0.00 0.01 0.00 0.00 72.50 69.50 1e4x s THR 107 CO 0.00 0.42 0.02 0.54 -0.69 0.00 0.00 174.62 174.91 1e4x s VAL 108 N 0.99 3.35 0.04 3.82 0.11 -1.25 -1.06 120.40 126.41 1e4x s VAL 108 Ca 0.02 -1.01 -0.12 0.00 -2.93 0.00 0.00 61.98 57.94 1e4x s VAL 108 Cb -0.14 -2.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.94 1e4x s VAL 108 CO 0.02 0.05 0.26 -0.55 -3.33 0.00 0.00 175.10 171.55 1e4x s SER 109 N 1.37 -0.06 0.00 3.54 0.15 -0.68 -4.42 113.70 113.61 1e4x s SER 109 Ca -0.00 -0.26 0.24 0.00 0.70 0.00 0.00 55.95 56.62 1e4x s SER 109 Cb -0.18 0.33 0.24 0.00 -1.71 0.00 0.00 66.02 64.70 1e4x s SER 109 CO -0.01 -0.59 1.23 -1.20 1.20 0.00 0.00 173.24 173.88 1e4x n SER 110 N 0.63 1.06 -4.74 5.45 7.64 -1.26 -3.79 113.62 118.60 1e4x n SER 110 Ca -0.19 -0.86 -0.38 0.00 1.01 0.00 0.00 58.87 58.46 1e4x n SER 110 Cb 0.59 0.49 0.05 0.00 -1.01 0.00 0.00 64.21 64.33 1e4x n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1e4x s ALA 111 N -2.79 2.60 0.13 -0.43 0.00 -1.26 -5.04 121.76 114.98 1e4x s ALA 111 Ca 0.14 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1e4x s ALA 111 Cb 0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1e4x s ALA 111 CO 0.69 -1.46 0.25 -1.59 0.00 0.00 0.00 175.76 173.65 1e4x s LYS 112 N -3.15 3.38 0.13 0.00 -2.85 -1.26 -5.02 119.74 110.97 1e4x s LYS 112 Ca 0.77 -0.60 -0.34 0.00 -1.00 0.00 0.00 55.97 54.80 1e4x s LYS 112 Cb -0.38 -2.94 -0.14 0.00 -2.06 0.00 0.00 37.83 32.31 1e4x s LYS 112 CO 0.43 0.53 1.58 2.41 0.10 0.00 0.00 175.35 180.40 1e4x n THR 113 N -0.37 0.06 -3.68 3.79 -1.04 -1.26 -4.68 114.28 107.09 1e4x n THR 113 Ca -0.07 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.77 1e4x n THR 113 Cb 0.54 -1.49 -0.16 0.00 -1.82 0.00 0.00 70.33 67.40 1e4x n THR 113 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1e4x s THR 114 N 1.17 -0.21 0.44 12.58 2.01 0.18 -4.95 115.64 126.87 1e4x s THR 114 Ca 0.81 0.33 -0.23 0.00 0.31 0.00 0.00 61.69 62.90 1e4x s THR 114 Cb -0.71 -0.27 -0.08 0.00 0.01 0.00 0.00 72.50 71.45 1e4x s THR 114 CO 0.40 0.14 1.12 0.00 -0.69 0.00 0.00 174.62 175.59 1e4x s ALA 115 N 2.06 3.00 0.46 7.40 0.00 -1.26 -1.42 121.76 132.01 1e4x s ALA 115 Ca 0.01 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 1e4x s ALA 115 Cb -0.12 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1e4x s ALA 115 CO -0.06 -0.50 1.15 -1.25 0.00 0.00 0.00 175.76 175.11 1e4x s PRO 116 N -2.67 3.75 0.12 0.00 0.04 -1.26 -4.59 135.00 130.40 1e4x s PRO 116 Ca 0.62 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 1e4x s PRO 116 Cb -0.26 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.84 1e4x s PRO 116 CO 0.32 -0.55 0.83 -1.12 0.04 0.00 0.00 177.00 176.52 1e4x s SER 117 N -1.42 7.39 -0.19 6.66 0.01 0.28 -4.89 113.70 121.54 1e4x s SER 117 Ca 0.64 1.65 -0.00 0.00 1.31 0.00 0.00 55.95 59.54 1e4x s SER 117 Cb -0.27 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.44 1e4x s SER 117 CO 0.33 0.09 -0.15 -0.69 0.41 0.00 0.00 173.24 173.22 1e4x s VAL 118 N -0.57 2.47 -0.07 3.43 1.01 -1.26 -1.02 120.40 124.40 1e4x s VAL 118 Ca 0.39 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1e4x s VAL 118 Cb -0.23 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1e4x s VAL 118 CO 0.27 0.51 -0.24 -0.31 0.00 0.00 0.00 175.10 175.32 1e4x s TYR 119 N 1.27 2.48 0.06 5.22 2.02 0.40 -4.95 117.35 123.84 1e4x s TYR 119 Ca 0.04 -0.76 -0.30 0.00 -0.37 0.00 0.00 57.07 55.68 1e4x s TYR 119 Cb -0.14 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 1e4x s TYR 119 CO -0.09 -0.24 0.99 -1.25 -1.57 0.00 0.00 175.55 173.40 1e4x s PRO 120 N -0.09 4.62 -0.36 -1.71 0.04 -1.26 -0.96 135.00 135.28 1e4x s PRO 120 Ca -0.06 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 62.45 1e4x s PRO 120 Cb -0.14 -3.41 0.10 0.00 0.04 0.00 0.00 34.50 31.09 1e4x s PRO 120 CO 0.04 0.07 0.11 -0.51 0.04 0.00 0.00 177.00 176.75 1e4x s LEU 121 N 0.47 4.84 0.42 -3.56 1.02 0.19 -4.93 118.68 117.12 1e4x s LEU 121 Ca 0.50 -1.96 -0.01 0.00 0.02 0.00 0.00 54.13 52.69 1e4x s LEU 121 Cb -0.23 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 1e4x s LEU 121 CO 0.29 -0.44 0.65 0.00 0.02 0.00 0.00 176.35 176.88 1e4x s ALA 122 N 1.07 3.67 0.79 4.21 0.00 -1.26 -0.70 121.76 129.54 1e4x s ALA 122 Ca 0.07 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 1e4x s ALA 122 Cb -0.21 -2.21 0.07 0.00 0.00 0.00 0.00 23.12 20.78 1e4x s ALA 122 CO -0.05 -0.26 1.12 -2.14 0.00 0.00 0.00 175.76 174.43 1e4x s PRO 123 N -4.51 1.95 0.30 0.00 0.02 -1.26 -4.93 135.00 126.57 1e4x s PRO 123 Ca 0.45 1.38 -0.29 0.00 0.02 0.00 0.00 61.00 62.57 1e4x s PRO 123 Cb -0.10 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.44 1e4x s PRO 123 CO 0.38 -1.91 1.19 0.28 -0.33 0.00 0.00 177.00 176.62 1e4x n VAL 124 N -3.49 1.84 -0.97 3.83 0.31 -1.26 -4.55 118.33 114.05 1e4x n VAL 124 Ca 0.11 -0.46 -0.36 0.00 -0.01 0.00 0.00 64.34 63.62 1e4x n VAL 124 Cb 0.52 -1.31 0.05 0.00 -0.91 0.00 0.00 33.84 32.19 1e4x n VAL 124 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1e4x n GLY 126 N 3.21 0.16 3.35 0.00 0.00 -1.26 -4.66 105.19 105.99 1e4x n GLY 126 Ca -0.01 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1e4x n GLY 126 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1e4x n ASP 127 N 0.55 -2.60 0.00 1.61 -0.08 -1.26 -4.88 116.55 109.89 1e4x n ASP 127 Ca 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1e4x n ASP 127 Cb 0.00 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.35 1e4x n ASP 127 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1e4x n THR 128 N -2.95 0.00 -0.03 5.18 -2.24 -1.26 -4.83 114.28 108.15 1e4x n THR 128 Ca 0.06 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1e4x n THR 128 Cb 0.53 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 1e4x n THR 128 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1e4x n THR 129 N 0.00 1.36 -0.51 4.28 -2.24 -1.26 -4.98 114.28 110.93 1e4x n THR 129 Ca 0.00 -0.78 -0.17 0.00 -2.27 0.00 0.00 64.05 60.83 1e4x n THR 129 Cb 0.00 -0.74 0.15 0.00 -2.10 0.00 0.00 70.33 67.64 1e4x n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e4x n GLY 130 N 1.56 -2.50 0.12 3.38 0.00 -1.26 -4.94 105.19 101.55 1e4x n GLY 130 Ca -0.19 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.05 1e4x n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1e4x h SER 131 N -2.75 0.00 -3.71 1.61 4.64 -1.97 -3.44 113.55 107.93 1e4x h SER 131 Ca -0.23 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.47 1e4x h SER 131 Cb 0.74 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.63 1e4x h SER 131 CO 0.14 0.25 -0.83 -0.94 -0.87 0.00 0.00 176.83 174.58 1e4x s SER 132 N -5.70 3.06 -0.05 4.97 1.04 -1.26 -0.46 113.70 115.30 1e4x s SER 132 Ca -0.00 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.67 1e4x s SER 132 Cb 0.09 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.01 1e4x s SER 132 CO 0.78 0.10 -0.12 0.54 0.98 0.00 0.00 173.24 175.52 1e4x s VAL 133 N -1.42 1.09 -0.16 5.02 0.11 0.66 -4.78 120.40 120.92 1e4x s VAL 133 Ca 0.14 -0.50 -0.05 0.00 -2.93 0.00 0.00 61.98 58.64 1e4x s VAL 133 Cb -0.09 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 1e4x s VAL 133 CO 0.07 0.33 0.01 -0.89 -3.33 0.00 0.00 175.10 171.29 1e4x s THR 134 N 0.33 4.29 0.27 5.04 2.01 -1.26 -1.53 115.64 124.79 1e4x s THR 134 Ca -0.08 -0.22 0.11 0.00 0.31 0.00 0.00 61.69 61.82 1e4x s THR 134 Cb -0.12 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 1e4x s THR 134 CO 0.02 0.49 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.52 1e4x s LEU 135 N 0.24 2.69 0.22 4.42 1.02 0.57 -4.41 118.68 123.43 1e4x s LEU 135 Ca 0.00 -0.95 -0.08 0.00 0.02 0.00 0.00 54.13 53.13 1e4x s LEU 135 Cb -0.13 -1.22 -0.02 0.00 0.02 0.00 0.00 46.19 44.84 1e4x s LEU 135 CO 0.02 0.04 0.32 -0.83 0.02 0.00 0.00 176.35 175.91 1e4x s GLY 136 N -3.48 0.92 -0.07 -3.19 0.00 0.12 -1.15 107.32 100.46 1e4x s GLY 136 Ca 0.30 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 1e4x s GLY 136 CO 0.16 -0.97 0.15 0.00 0.00 0.00 0.00 173.10 172.43 1e4x s LEU 138 N 1.87 3.58 -0.36 0.00 2.96 -0.14 -1.43 118.68 125.16 1e4x s LEU 138 Ca -0.01 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1e4x s LEU 138 Cb -0.12 -1.91 0.10 0.00 0.50 0.00 0.00 46.19 44.76 1e4x s LEU 138 CO -0.06 0.12 0.10 -0.69 -1.32 0.00 0.00 176.35 174.50 1e4x s VAL 139 N 0.69 2.72 0.03 1.68 1.01 0.21 -0.46 120.40 126.28 1e4x s VAL 139 Ca 0.02 -2.14 0.08 0.00 0.00 0.00 0.00 61.98 59.94 1e4x s VAL 139 Cb -0.14 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1e4x s VAL 139 CO 0.02 -0.58 -0.24 -0.75 0.00 0.00 0.00 175.10 173.55 1e4x s LYS 140 N 1.03 1.95 -0.68 2.72 2.20 -0.19 -0.07 119.74 126.69 1e4x s LYS 140 Ca 0.08 -1.03 -0.00 0.00 -0.36 0.00 0.00 55.97 54.66 1e4x s LYS 140 Cb -0.21 -2.06 -0.00 0.00 -1.51 0.00 0.00 37.83 34.05 1e4x s LYS 140 CO -0.06 0.53 0.57 0.41 -0.36 0.00 0.00 175.35 176.44 1e4x n GLY 141 N 1.84 -0.03 3.71 5.54 0.00 -0.83 -0.55 105.19 114.87 1e4x n GLY 141 Ca -0.17 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1e4x n GLY 141 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1e4x s TYR 142 N -3.21 2.72 -0.28 1.61 1.13 -0.64 -4.43 117.35 114.26 1e4x s TYR 142 Ca 0.01 -0.34 -0.22 0.00 -1.41 0.00 0.00 57.07 55.12 1e4x s TYR 142 Cb -0.00 -1.53 0.11 0.00 -1.10 0.00 0.00 41.96 39.43 1e4x s TYR 142 CO 0.42 0.41 0.88 0.12 -2.51 0.00 0.00 175.55 174.87 1e4x s PHE 143 N -2.40 -0.68 0.00 -3.49 5.36 -0.50 0.28 117.98 116.55 1e4x s PHE 143 Ca 0.36 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 1e4x s PHE 143 Cb -0.03 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 1e4x s PHE 143 CO 0.22 -0.33 0.00 -0.35 -1.46 0.00 0.00 175.22 173.30 1e4x n PRO 144 N 2.98 1.02 -2.24 10.12 -0.04 -1.26 0.51 135.00 146.08 1e4x n PRO 144 Ca -0.15 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 1e4x n PRO 144 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1e4x n PRO 144 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1e4x s GLU 145 N -1.25 3.78 0.23 0.54 2.02 -1.26 -4.75 118.70 118.02 1e4x s GLU 145 Ca 0.00 0.80 0.02 0.00 0.02 0.00 0.00 54.97 55.81 1e4x s GLU 145 Cb 0.00 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 32.10 1e4x s GLU 145 CO 0.00 -0.36 0.17 -0.35 0.02 0.00 0.00 175.26 174.74 1e4x n PRO 146 N -2.04 1.15 -4.35 0.39 -0.04 -1.26 -5.02 135.00 123.84 1e4x n PRO 146 Ca 0.06 -1.46 -0.20 0.00 -0.04 0.00 0.00 63.50 61.86 1e4x n PRO 146 Cb 0.54 0.16 -0.11 0.00 -0.04 0.00 0.00 33.50 34.05 1e4x n PRO 146 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1e4x s VAL 147 N -1.16 1.84 -0.20 0.52 0.11 -1.26 -4.39 120.40 115.86 1e4x s VAL 147 Ca 0.13 -2.10 0.01 0.00 -2.93 0.00 0.00 61.98 57.09 1e4x s VAL 147 Cb -0.01 -1.98 0.04 0.00 -1.53 0.00 0.00 36.38 32.90 1e4x s VAL 147 CO 0.08 -0.46 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.37 1e4x s THR 148 N -2.53 1.84 -0.16 5.04 2.01 0.42 -4.96 115.64 117.31 1e4x s THR 148 Ca 0.20 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 1e4x s THR 148 Cb -0.03 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1e4x s THR 148 CO 0.07 0.27 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.95 1e4x s LEU 149 N 1.33 2.74 0.26 4.42 0.20 -1.26 -0.33 118.68 126.04 1e4x s LEU 149 Ca -0.00 -0.37 0.05 0.00 0.69 0.00 0.00 54.13 54.50 1e4x s LEU 149 Cb -0.16 -1.64 -0.06 0.00 -0.43 0.00 0.00 46.19 43.91 1e4x s LEU 149 CO -0.09 0.10 -0.02 0.42 -0.29 0.00 0.00 176.35 176.47 1e4x s THR 150 N 0.76 1.33 -0.07 3.68 -4.23 -0.01 -4.98 115.64 112.11 1e4x s THR 150 Ca -0.05 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.44 1e4x s THR 150 Cb -0.15 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1e4x s THR 150 CO 0.01 -0.27 -0.21 0.26 -0.54 0.00 0.00 174.62 173.87 1e4x s TRP 151 N -3.22 2.55 -1.52 3.99 0.52 -1.26 -0.12 118.94 119.88 1e4x s TRP 151 Ca 0.30 -0.61 -0.07 0.00 0.02 0.00 0.00 56.10 55.73 1e4x s TRP 151 Cb 0.05 -1.64 0.06 0.00 -1.15 0.00 0.00 33.47 30.79 1e4x s TRP 151 CO 0.11 -0.14 0.58 0.09 0.02 0.00 0.00 176.95 177.61 1e4x n ASN 152 N 2.93 -1.64 -1.96 2.95 3.02 -0.27 -0.87 115.26 119.42 1e4x n ASN 152 Ca -0.17 -0.99 -0.19 0.00 -0.03 0.00 0.00 54.58 53.19 1e4x n ASN 152 Cb 0.52 -3.01 -0.05 0.00 -0.61 0.00 0.00 39.78 36.63 1e4x n ASN 152 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1e4x n SER 153 N -2.87 -5.31 0.00 6.41 7.64 -1.26 -1.90 113.62 116.33 1e4x n SER 153 Ca -0.16 0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1e4x n SER 153 Cb 0.61 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 1e4x n SER 153 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1e4x n GLY 154 N -0.65 0.60 0.17 0.23 0.00 -0.05 -4.94 105.19 100.56 1e4x n GLY 154 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1e4x n GLY 154 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1e4x h SER 155 N 0.00 0.00 -3.55 1.61 4.64 -1.28 -3.37 113.55 111.60 1e4x h SER 155 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1e4x h SER 155 Cb 0.00 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.74 1e4x h SER 155 CO 0.00 0.00 -0.57 -0.22 -0.87 0.00 0.00 176.83 175.17 1e4x s LEU 156 N -5.27 5.17 -0.13 5.97 2.96 -0.95 -4.90 118.68 121.53 1e4x s LEU 156 Ca 0.06 -2.10 0.00 0.00 -0.22 0.00 0.00 54.13 51.88 1e4x s LEU 156 Cb 0.09 -1.80 -0.08 0.00 0.50 0.00 0.00 46.19 44.90 1e4x s LEU 156 CO 0.56 -0.51 -0.12 -0.24 -1.32 0.00 0.00 176.35 174.72 1e4x n SER 157 N 4.48 2.87 -4.95 3.68 2.88 -1.26 -4.18 113.62 117.14 1e4x n SER 157 Ca -0.01 -0.05 -0.23 0.00 -1.33 0.00 0.00 58.87 57.25 1e4x n SER 157 Cb 0.41 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.65 1e4x n SER 157 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1e4x s SER 158 N -5.29 6.22 -0.14 -3.46 1.04 -1.26 -4.08 113.70 106.72 1e4x s SER 158 Ca -0.17 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1e4x s SER 158 Cb 0.05 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.29 1e4x s SER 158 CO 0.29 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1e4x n GLY 159 N -1.74 0.51 3.62 7.32 0.00 -1.26 -4.75 105.19 108.88 1e4x n GLY 159 Ca -0.04 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1e4x n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1e4x s VAL 160 N -2.01 4.30 -0.21 1.61 1.01 -1.26 -0.74 120.40 123.11 1e4x s VAL 160 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1e4x s VAL 160 Cb 0.00 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.56 1e4x s VAL 160 CO 0.00 0.54 -0.12 -1.00 0.00 0.00 0.00 175.10 174.53 1e4x s HIS 161 N -0.26 2.62 -0.27 5.22 3.76 -0.22 -4.97 115.29 121.17 1e4x s HIS 161 Ca 0.06 -1.74 -0.05 0.00 -0.15 0.00 0.00 55.06 53.18 1e4x s HIS 161 Cb -0.12 -1.73 0.01 0.00 1.11 0.00 0.00 32.58 31.85 1e4x s HIS 161 CO 0.02 -0.78 0.03 0.99 -0.85 0.00 0.00 174.74 174.15 1e4x s THR 162 N 1.33 3.68 0.33 1.30 2.01 -1.26 -0.08 115.64 122.94 1e4x s THR 162 Ca -0.02 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.14 1e4x s THR 162 Cb -0.17 -2.85 -0.09 0.00 0.01 0.00 0.00 72.50 69.41 1e4x s THR 162 CO -0.08 0.18 0.75 -0.36 -0.69 0.00 0.00 174.62 174.42 1e4x s PHE 163 N 1.47 3.37 0.39 4.92 0.08 -0.54 -5.01 117.98 122.66 1e4x s PHE 163 Ca 0.03 1.25 -0.26 0.00 0.12 0.00 0.00 56.93 58.07 1e4x s PHE 163 Cb -0.16 -2.56 -0.11 0.00 -0.57 0.00 0.00 43.02 39.61 1e4x s PHE 163 CO 0.00 0.08 1.14 -2.30 -0.10 0.00 0.00 175.22 174.04 1e4x n PRO 164 N -0.38 1.66 -2.03 0.24 -0.02 -1.26 -4.42 135.00 128.79 1e4x n PRO 164 Ca 0.04 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 1e4x n PRO 164 Cb 0.53 -2.17 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1e4x n PRO 164 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1e4x s ALA 165 N -1.19 3.05 0.08 3.55 0.00 -1.26 -4.82 121.76 121.17 1e4x s ALA 165 Ca 0.60 1.18 0.08 0.00 0.00 0.00 0.00 51.96 53.83 1e4x s ALA 165 Cb -0.56 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 1e4x s ALA 165 CO 0.59 -0.94 -0.20 0.54 0.00 0.00 0.00 175.76 175.75 1e4x s VAL 166 N -1.36 2.71 -0.63 0.00 0.11 0.37 -4.91 120.40 116.70 1e4x s VAL 166 Ca 0.63 -1.40 -0.22 0.00 -2.93 0.00 0.00 61.98 58.06 1e4x s VAL 166 Cb -0.36 -2.19 0.08 0.00 -1.53 0.00 0.00 36.38 32.38 1e4x s VAL 166 CO 0.45 0.21 0.88 -0.22 -3.33 0.00 0.00 175.10 173.08 1e4x s LEU 167 N -1.80 4.66 -0.11 2.54 2.96 -1.26 -0.45 118.68 125.22 1e4x s LEU 167 Ca 0.16 -1.08 -0.18 0.00 -0.22 0.00 0.00 54.13 52.81 1e4x s LEU 167 Cb -0.10 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1e4x s LEU 167 CO 0.07 -1.32 0.49 0.00 -1.32 0.00 0.00 176.35 174.27 1e4x s GLN 168 N 3.63 4.33 4.16 1.98 0.00 0.39 -4.89 119.66 129.27 1e4x s GLN 168 Ca 0.19 0.47 0.00 0.00 -0.00 0.00 0.00 55.36 56.03 1e4x s GLN 168 Cb -0.19 -3.43 0.00 0.00 0.00 0.00 0.00 33.01 29.39 1e4x s GLN 168 CO 0.10 0.17 0.00 -1.13 0.00 0.00 0.00 175.29 174.43 1e4x n SER 169 N 3.60 0.00 -0.83 12.60 3.41 -1.26 0.85 113.62 131.99 1e4x n SER 169 Ca -0.07 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.61 1e4x n SER 169 Cb 0.52 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.67 1e4x n SER 169 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1e4x n ASP 170 N 4.56 3.30 -4.61 4.04 5.68 -1.26 -4.98 116.55 123.27 1e4x n ASP 170 Ca 0.00 -2.15 -0.28 0.00 -0.50 0.00 0.00 54.79 51.86 1e4x n ASP 170 Cb 0.00 -0.33 -0.09 0.00 -1.14 0.00 0.00 41.12 39.56 1e4x n ASP 170 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1e4x s LEU 171 N -1.27 3.15 0.19 -2.12 1.43 0.25 -4.85 118.68 115.46 1e4x s LEU 171 Ca 0.31 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1e4x s LEU 171 Cb 0.18 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 1e4x s LEU 171 CO 0.18 0.14 0.46 -0.31 0.23 0.00 0.00 176.35 177.05 1e4x s TYR 172 N -1.47 3.46 0.01 0.29 2.02 0.14 0.15 117.35 121.95 1e4x s TYR 172 Ca 0.24 0.67 0.01 0.00 -0.37 0.00 0.00 57.07 57.62 1e4x s TYR 172 Cb -0.10 -2.10 -0.01 0.00 -0.40 0.00 0.00 41.96 39.35 1e4x s TYR 172 CO 0.16 0.34 -0.05 0.99 -1.57 0.00 0.00 175.55 175.42 1e4x s THR 173 N -1.78 0.33 0.17 -0.71 2.01 0.40 -1.62 115.64 114.45 1e4x s THR 173 Ca 0.44 -0.52 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 1e4x s THR 173 Cb -0.12 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 1e4x s THR 173 CO 0.24 -0.13 0.30 -1.48 -0.69 0.00 0.00 174.62 172.86 1e4x s LEU 174 N -0.69 0.89 0.15 4.42 0.05 0.90 -0.48 118.68 123.92 1e4x s LEU 174 Ca -0.04 -0.88 0.00 0.00 0.05 0.00 0.00 54.13 53.26 1e4x s LEU 174 Cb -0.05 1.23 -0.04 0.00 -2.05 0.00 0.00 46.19 45.28 1e4x s LEU 174 CO -0.00 -0.92 0.02 -0.94 -0.55 0.00 0.00 176.35 173.97 1e4x s SER 175 N -2.98 0.77 -0.08 1.48 1.04 -1.26 0.67 113.70 113.34 1e4x s SER 175 Ca 0.18 -1.18 -0.07 0.00 0.48 0.00 0.00 55.95 55.36 1e4x s SER 175 Cb 0.03 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1e4x s SER 175 CO 0.01 -0.64 0.21 -0.55 0.98 0.00 0.00 173.24 173.25 1e4x s SER 176 N -3.10 -0.22 0.27 7.02 0.15 -0.51 -1.47 113.70 115.84 1e4x s SER 176 Ca 0.23 0.43 0.10 0.00 0.70 0.00 0.00 55.95 57.41 1e4x s SER 176 Cb 0.07 0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 1e4x s SER 176 CO 0.02 -0.08 -0.07 -0.94 1.20 0.00 0.00 173.24 173.37 1e4x s SER 177 N 0.26 4.22 -0.02 5.45 1.04 0.88 -0.96 113.70 124.57 1e4x s SER 177 Ca -0.01 -0.78 -0.01 0.00 0.48 0.00 0.00 55.95 55.62 1e4x s SER 177 Cb -0.03 -0.65 0.01 0.00 0.10 0.00 0.00 66.02 65.45 1e4x s SER 177 CO -0.01 0.01 0.04 -0.69 0.98 0.00 0.00 173.24 173.57 1e4x s VAL 178 N -2.39 -0.02 -0.11 5.02 1.01 -0.30 -1.06 120.40 122.55 1e4x s VAL 178 Ca 0.31 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1e4x s VAL 178 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 36.38 36.25 1e4x s VAL 178 CO 0.18 0.03 -0.22 -0.89 0.00 0.00 0.00 175.10 174.20 1e4x s THR 179 N 0.36 2.19 0.20 3.92 2.01 0.08 -0.32 115.64 124.08 1e4x s THR 179 Ca -0.03 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1e4x s THR 179 Cb -0.04 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1e4x s THR 179 CO -0.01 0.55 0.05 0.68 -0.69 0.00 0.00 174.62 175.20 1e4x s VAL 180 N 0.40 0.51 0.79 3.82 -7.23 -0.58 -4.65 120.40 113.47 1e4x s VAL 180 Ca -0.17 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 57.91 1e4x s VAL 180 Cb -0.17 -2.32 0.07 0.00 0.56 0.00 0.00 36.38 34.51 1e4x s VAL 180 CO 0.07 -0.27 1.09 0.42 -0.31 0.00 0.00 175.10 176.10 1e4x s THR 181 N -3.78 3.24 -0.36 5.32 -4.23 -1.26 -0.24 115.64 114.32 1e4x s THR 181 Ca 0.30 0.40 0.27 0.00 -1.18 0.00 0.00 61.69 61.48 1e4x s THR 181 Cb 0.07 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 71.19 1e4x s THR 181 CO 0.08 -0.53 1.79 0.28 -0.54 0.00 0.00 174.62 175.70 1e4x h SER 182 N -1.13 0.00 0.28 3.99 0.02 -1.03 -1.88 113.55 113.79 1e4x h SER 182 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1e4x h SER 182 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1e4x h SER 182 CO 0.56 0.00 -0.06 -1.54 -1.14 0.00 0.00 176.83 174.64 1e4x n SER 183 N -2.54 0.43 -0.11 3.07 3.41 -1.26 -3.67 113.62 112.95 1e4x n SER 183 Ca 0.02 -0.70 -0.20 0.00 -0.26 0.00 0.00 58.87 57.73 1e4x n SER 183 Cb 0.31 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 1e4x n SER 183 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1e4x n THR 184 N -0.89 1.54 -4.39 6.66 -1.04 -0.71 -4.78 114.28 110.67 1e4x n THR 184 Ca 0.17 -0.54 -0.20 0.00 -2.04 0.00 0.00 64.05 61.44 1e4x n THR 184 Cb 0.25 -1.55 -0.15 0.00 -1.82 0.00 0.00 70.33 67.06 1e4x n THR 184 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1e4x s TRP 185 N -2.52 0.91 -2.00 -1.42 -0.00 -1.18 0.29 118.94 113.02 1e4x s TRP 185 Ca -0.34 -0.20 0.08 0.00 -0.00 0.00 0.00 56.10 55.64 1e4x s TRP 185 Cb 0.09 -0.62 0.24 0.00 -0.00 0.00 0.00 33.47 33.18 1e4x s TRP 185 CO 0.61 -0.06 1.20 -0.35 -0.00 0.00 0.00 176.95 178.34 1e4x n PRO 186 N 3.10 1.63 0.24 5.86 -0.04 -1.26 -4.65 135.00 139.88 1e4x n PRO 186 Ca -0.16 -0.98 0.08 0.00 -0.04 0.00 0.00 63.50 62.39 1e4x n PRO 186 Cb 0.55 -1.21 0.60 0.00 -0.04 0.00 0.00 33.50 33.40 1e4x n PRO 186 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1e4x h SER 187 N 1.59 0.00 -3.64 3.54 4.64 -1.85 -3.40 113.55 114.43 1e4x h SER 187 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 1e4x h SER 187 Cb 0.37 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.24 1e4x h SER 187 CO 0.00 0.12 -0.71 -1.10 -0.87 0.00 0.00 176.83 174.26 1e4x s GLN 188 N -4.68 2.92 0.30 4.77 -0.21 0.15 -5.09 119.66 117.81 1e4x s GLN 188 Ca -0.04 -0.59 -0.30 0.00 0.02 0.00 0.00 55.36 54.45 1e4x s GLN 188 Cb 0.16 -2.60 -0.11 0.00 1.00 0.00 0.00 33.01 31.46 1e4x s GLN 188 CO 0.66 0.54 1.52 0.45 -2.12 0.00 0.00 175.29 176.34 1e4x s SER 189 N -0.47 6.46 -0.07 5.90 0.15 -1.26 -4.58 113.70 119.82 1e4x s SER 189 Ca 0.07 2.88 -0.01 0.00 0.70 0.00 0.00 55.95 59.58 1e4x s SER 189 Cb -0.12 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.58 1e4x s SER 189 CO 0.02 -0.83 0.00 -0.63 1.20 0.00 0.00 173.24 173.00 1e4x s ILE 190 N -0.27 0.39 0.00 6.45 1.01 -1.26 -4.96 121.20 122.56 1e4x s ILE 190 Ca 0.60 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.41 1e4x s ILE 190 Cb -0.46 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1e4x s ILE 190 CO 0.50 0.26 -0.16 0.42 0.00 0.00 0.00 174.94 175.96 1e4x s THR 191 N 1.96 1.28 0.03 2.92 -4.23 -1.26 -0.69 115.64 115.65 1e4x s THR 191 Ca 0.05 -0.78 -0.17 0.00 -1.18 0.00 0.00 61.69 59.61 1e4x s THR 191 Cb -0.12 -1.08 -0.06 0.00 1.34 0.00 0.00 72.50 72.57 1e4x s THR 191 CO -0.05 0.29 0.49 0.00 -0.54 0.00 0.00 174.62 174.81 1e4x s ASN 193 N -1.04 1.98 -0.11 0.00 -0.87 0.83 -0.90 114.94 114.82 1e4x s ASN 193 Ca 0.26 -0.33 -0.01 0.00 -1.57 0.00 0.00 52.86 51.21 1e4x s ASN 193 Cb -0.18 -0.79 0.03 0.00 -0.02 0.00 0.00 41.25 40.29 1e4x s ASN 193 CO 0.16 0.08 -0.04 -0.69 -2.57 0.00 0.00 177.10 174.05 1e4x s VAL 194 N 0.43 0.77 -0.12 1.60 1.01 -0.32 -0.83 120.40 122.94 1e4x s VAL 194 Ca -0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1e4x s VAL 194 Cb -0.14 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1e4x s VAL 194 CO 0.04 0.26 0.07 0.00 0.00 0.00 0.00 175.10 175.46 1e4x s ALA 195 N 1.81 3.53 -0.45 5.51 0.00 0.55 -1.96 121.76 130.74 1e4x s ALA 195 Ca 0.04 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1e4x s ALA 195 Cb -0.13 -1.76 0.14 0.00 0.00 0.00 0.00 23.12 21.36 1e4x s ALA 195 CO -0.07 0.50 0.25 -1.58 0.00 0.00 0.00 175.76 174.86 1e4x s HIS 196 N -0.63 2.03 0.28 0.00 2.46 -0.31 -0.43 115.29 118.70 1e4x s HIS 196 Ca 0.11 -2.47 0.01 0.00 0.47 0.00 0.00 55.06 53.19 1e4x s HIS 196 Cb -0.12 -1.91 0.67 0.00 -0.13 0.00 0.00 32.58 31.09 1e4x s HIS 196 CO 0.02 -0.78 1.68 -1.35 -2.47 0.00 0.00 174.74 171.84 1e4x h PRO 197 N 6.66 0.29 -0.26 2.88 0.10 -1.80 -1.73 132.00 138.15 1e4x h PRO 197 Ca -0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 66.00 66.05 1e4x h PRO 197 Cb 0.92 -0.07 -0.01 0.00 0.10 0.00 0.00 31.00 31.94 1e4x h PRO 197 CO 0.49 0.19 0.01 0.00 0.10 0.00 0.00 178.00 178.80 1e4x h ALA 198 N 1.71 1.55 -0.38 -0.75 0.00 -1.92 -1.52 119.26 117.95 1e4x h ALA 198 Ca 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1e4x h ALA 198 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1e4x h ALA 198 CO -0.57 0.33 0.00 -1.13 0.00 0.00 0.00 179.25 177.88 1e4x n SER 199 N -4.34 3.15 -3.91 0.00 3.41 -0.75 -4.96 113.62 106.22 1e4x n SER 199 Ca 0.01 -1.95 -0.31 0.00 -0.26 0.00 0.00 58.87 56.36 1e4x n SER 199 Cb 0.20 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1e4x n SER 199 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1e4x n SER 200 N 1.28 -4.15 -4.69 4.04 7.64 -0.57 -4.98 113.62 112.18 1e4x n SER 200 Ca 0.19 -0.78 -0.27 0.00 1.01 0.00 0.00 58.87 59.03 1e4x n SER 200 Cb 0.55 -3.36 -0.07 0.00 -1.01 0.00 0.00 64.21 60.32 1e4x n SER 200 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1e4x s THR 201 N -3.22 3.86 -0.22 0.44 -4.23 -0.91 -4.99 115.64 106.38 1e4x s THR 201 Ca 0.64 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.78 1e4x s THR 201 Cb -0.34 -2.94 0.11 0.00 1.34 0.00 0.00 72.50 70.68 1e4x s THR 201 CO 0.79 -0.09 0.39 -0.54 -0.54 0.00 0.00 174.62 174.64 1e4x s LYS 202 N -2.91 0.33 0.04 3.99 1.02 -1.26 -1.16 119.74 119.80 1e4x s LYS 202 Ca 0.28 0.77 0.07 0.00 0.02 0.00 0.00 55.97 57.11 1e4x s LYS 202 Cb -0.10 -0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.11 1e4x s LYS 202 CO 0.19 -0.45 -0.19 0.08 -0.92 0.00 0.00 175.35 174.06 1e4x s VAL 203 N 2.57 1.55 0.05 3.17 1.01 -0.83 -4.97 120.40 122.95 1e4x s VAL 203 Ca 0.06 -1.16 0.05 0.00 0.00 0.00 0.00 61.98 60.93 1e4x s VAL 203 Cb -0.14 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1e4x s VAL 203 CO -0.14 0.16 -0.11 -1.81 0.00 0.00 0.00 175.10 173.20 1e4x s ASP 204 N -1.18 4.34 -0.23 3.32 1.01 -1.26 -1.17 116.67 121.49 1e4x s ASP 204 Ca 0.06 -0.29 -0.04 0.00 0.71 0.00 0.00 52.55 52.99 1e4x s ASP 204 Cb -0.09 -0.88 0.08 0.00 1.01 0.00 0.00 42.92 43.04 1e4x s ASP 204 CO 0.02 0.24 0.09 -0.54 0.21 0.00 0.00 175.17 175.19 1e4x s LYS 205 N -1.68 0.32 0.33 8.23 3.01 -0.08 -4.98 119.74 124.89 1e4x s LYS 205 Ca 0.18 -0.44 -0.27 0.00 -1.01 0.00 0.00 55.97 54.43 1e4x s LYS 205 Cb -0.11 -1.69 -0.09 0.00 -1.01 0.00 0.00 37.83 34.93 1e4x s LYS 205 CO 0.09 -0.82 1.07 0.21 0.51 0.00 0.00 175.35 176.41 1e4x s LYS 206 N 2.00 4.44 -0.26 1.68 2.20 -1.26 0.24 119.74 128.76 1e4x s LYS 206 Ca 0.05 1.67 -0.13 0.00 -0.36 0.00 0.00 55.97 57.20 1e4x s LYS 206 Cb -0.16 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1e4x s LYS 206 CO -0.20 0.07 0.30 0.42 -0.36 0.00 0.00 175.35 175.57 1e4x s ILE 207 N -1.37 5.23 0.17 5.43 -1.09 0.13 -4.86 121.20 124.84 1e4x s ILE 207 Ca 0.50 0.43 0.10 0.00 -2.23 0.00 0.00 60.65 59.45 1e4x s ILE 207 Cb -0.28 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1e4x s ILE 207 CO 0.35 0.21 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.45 1e4x s GLU 208 N 1.82 1.37 0.40 2.79 2.02 -1.26 -4.64 118.70 121.20 1e4x s GLU 208 Ca 0.12 -1.43 -0.27 0.00 0.02 0.00 0.00 54.97 53.41 1e4x s GLU 208 Cb -0.16 -1.59 -0.10 0.00 0.10 0.00 0.00 34.13 32.39 1e4x s GLU 208 CO 0.10 0.34 1.44 -2.14 0.02 0.00 0.00 175.26 175.02 1e4x s PRO 209 N -2.61 3.96 0.37 0.39 0.02 -1.26 -4.69 135.00 131.18 1e4x s PRO 209 Ca 0.17 2.47 0.20 0.00 0.02 0.00 0.00 61.00 63.86 1e4x s PRO 209 Cb -0.07 -2.85 0.55 0.00 0.02 0.00 0.00 34.50 32.15 1e4x s PRO 209 CO 0.08 -0.62 1.67 0.00 -0.33 0.00 0.00 177.00 177.80 1e4x h ARG 210 N 2.75 0.00 -4.64 5.54 3.08 -1.92 -3.46 114.38 115.73 1e4x h ARG 210 Ca -0.51 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.29 1e4x h ARG 210 Cb 1.25 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.12 1e4x h ARG 210 CO 0.63 0.33 -0.71 0.54 -1.07 0.00 0.00 179.97 179.69 1e4x s VAL 211 N -3.38 0.65 0.15 2.04 0.11 -1.26 -5.05 120.40 113.66 1e4x s VAL 211 Ca 0.02 -1.57 -0.34 0.00 -2.93 0.00 0.00 61.98 57.17 1e4x s VAL 211 Cb 0.09 -1.22 -0.14 0.00 -1.53 0.00 0.00 36.38 33.58 1e4x s VAL 211 CO 0.68 -0.65 1.59 -2.65 -3.33 0.00 0.00 175.10 170.74 1e4x n PRO 212 N 0.61 2.16 0.00 1.54 -0.02 -1.26 -4.75 135.00 133.29 1e4x n PRO 212 Ca -0.17 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1e4x n PRO 212 Cb 0.58 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1e4x n PRO 212 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59