#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 0.65 -4.00 1.69 0.31 -1.26 -3.93 118.33 111.79 1e4x n VAL 2 Ca 0.00 -0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.00 1e4x n VAL 2 Cb 0.00 -2.37 -0.11 0.00 -0.91 0.00 0.00 33.84 30.45 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 5.00 0.35 -0.21 5.55 -0.21 0.30 -4.98 119.66 125.46 1e4x s GLN 3 Ca 0.93 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 55.71 1e4x s GLN 3 Cb -0.42 0.01 0.05 0.00 1.00 0.00 0.00 33.01 33.64 1e4x s GLN 3 CO 0.41 -0.02 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.93 1e4x s LEU 4 N -1.41 2.56 -0.33 2.90 1.02 -1.26 0.09 118.68 122.25 1e4x s LEU 4 Ca -0.14 -1.00 -0.13 0.00 0.02 0.00 0.00 54.13 52.87 1e4x s LEU 4 Cb -0.09 -1.33 -0.02 0.00 0.02 0.00 0.00 46.19 44.76 1e4x s LEU 4 CO -0.01 -0.15 0.28 -1.58 0.02 0.00 0.00 176.35 174.92 1e4x s GLN 5 N 1.32 3.63 0.06 1.70 0.74 0.57 -4.04 119.66 123.64 1e4x s GLN 5 Ca -0.03 -0.47 0.09 0.00 0.05 0.00 0.00 55.36 55.00 1e4x s GLN 5 Cb -0.17 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.14 1e4x s GLN 5 CO -0.08 -0.41 -0.25 -0.65 -0.55 0.00 0.00 175.29 173.35 1e4x s GLN 6 N 1.85 1.58 0.63 1.67 -0.21 -1.26 -1.06 119.66 122.85 1e4x s GLN 6 Ca 0.09 -1.11 -0.18 0.00 0.02 0.00 0.00 55.36 54.18 1e4x s GLN 6 Cb -0.17 -1.80 -0.02 0.00 1.00 0.00 0.00 33.01 32.03 1e4x s GLN 6 CO 0.11 0.45 1.24 -2.14 -2.12 0.00 0.00 175.29 172.83 1e4x s PRO 7 N -1.40 2.73 0.05 2.91 0.02 -1.26 -4.81 135.00 133.24 1e4x s PRO 7 Ca 0.11 1.90 -0.22 0.00 0.02 0.00 0.00 61.00 62.81 1e4x s PRO 7 Cb -0.10 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.40 1e4x s PRO 7 CO 0.03 -1.42 1.51 0.78 -0.33 0.00 0.00 177.00 177.57 1e4x h GLY 8 N 0.62 0.19 -3.50 0.52 0.00 -1.96 -3.35 103.07 95.59 1e4x h GLY 8 Ca -0.50 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 46.73 1e4x h GLY 8 CO 0.54 0.12 0.35 0.00 0.00 0.00 0.00 176.54 177.54 1e4x s ALA 9 N -5.14 -1.75 -0.09 3.60 0.00 -1.26 -1.21 121.76 115.90 1e4x s ALA 9 Ca -0.14 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 52.69 1e4x s ALA 9 Cb 0.05 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.55 1e4x s ALA 9 CO 0.70 -0.61 0.28 -1.83 0.00 0.00 0.00 175.76 174.30 1e4x s GLU 10 N -2.71 0.37 -0.24 0.00 -1.05 -0.65 -4.94 118.70 109.48 1e4x s GLU 10 Ca -0.00 0.29 -0.06 0.00 -0.15 0.00 0.00 54.97 55.05 1e4x s GLU 10 Cb -0.01 0.18 -0.02 0.00 -0.44 0.00 0.00 34.13 33.83 1e4x s GLU 10 CO -0.05 -0.06 0.04 -1.17 0.95 0.00 0.00 175.26 174.96 1e4x s LEU 11 N -0.08 3.30 0.15 1.83 0.20 -1.26 -0.38 118.68 122.45 1e4x s LEU 11 Ca -0.02 -0.24 0.05 0.00 0.69 0.00 0.00 54.13 54.61 1e4x s LEU 11 Cb -0.03 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 1e4x s LEU 11 CO 0.01 -0.02 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.25 1e4x s VAL 12 N 1.49 1.29 0.18 1.68 1.01 -0.15 -4.97 120.40 120.92 1e4x s VAL 12 Ca 0.06 -2.03 -0.09 0.00 0.00 0.00 0.00 61.98 59.92 1e4x s VAL 12 Cb -0.15 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 1e4x s VAL 12 CO 0.02 -0.67 0.49 -0.54 0.00 0.00 0.00 175.10 174.40 1e4x s LYS 13 N -3.55 3.77 0.37 2.72 -0.14 -1.26 -2.13 119.74 119.53 1e4x s LYS 13 Ca 0.16 0.20 -0.26 0.00 -1.36 0.00 0.00 55.97 54.71 1e4x s LYS 13 Cb 0.01 -2.77 -0.12 0.00 -1.68 0.00 0.00 37.83 33.27 1e4x s LYS 13 CO 0.02 0.40 1.07 -2.30 -0.76 0.00 0.00 175.35 173.78 1e4x n PRO 14 N 0.16 1.51 0.00 -1.68 -0.02 -1.26 -1.61 135.00 132.10 1e4x n PRO 14 Ca -0.02 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1e4x n PRO 14 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1e4x n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e4x n GLY 15 N 1.10 2.96 3.65 -1.23 0.00 0.13 -4.87 105.19 106.93 1e4x n GLY 15 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1e4x n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e4x n ALA 16 N -0.41 -1.65 -2.42 4.61 0.00 -0.64 -4.32 120.51 115.68 1e4x n ALA 16 Ca 0.00 -1.65 -0.21 0.00 0.00 0.00 0.00 53.44 51.58 1e4x n ALA 16 Cb 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.26 1e4x n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1e4x s SER 17 N -5.51 2.95 0.00 0.00 1.04 -1.26 -1.54 113.70 109.37 1e4x s SER 17 Ca 0.72 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1e4x s SER 17 Cb -0.02 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 1e4x s SER 17 CO 0.51 -0.22 -0.01 0.54 0.98 0.00 0.00 173.24 175.04 1e4x s VAL 18 N -2.88 0.06 -0.28 5.02 0.11 -0.12 -5.00 120.40 117.31 1e4x s VAL 18 Ca 0.28 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1e4x s VAL 18 Cb 0.01 -0.07 0.07 0.00 -1.53 0.00 0.00 36.38 34.86 1e4x s VAL 18 CO 0.11 -0.03 -0.04 -0.75 -3.33 0.00 0.00 175.10 171.07 1e4x s LYS 19 N -0.13 1.76 0.07 1.54 2.20 -1.26 -1.01 119.74 122.90 1e4x s LYS 19 Ca -0.01 -1.38 -0.27 0.00 -0.36 0.00 0.00 55.97 53.95 1e4x s LYS 19 Cb -0.01 -2.83 -0.06 0.00 -1.51 0.00 0.00 37.83 33.42 1e4x s LYS 19 CO -0.00 -0.71 0.86 -0.51 -0.36 0.00 0.00 175.35 174.63 1e4x s LEU 20 N 1.16 4.47 0.14 5.43 1.43 0.08 -4.88 118.68 126.51 1e4x s LEU 20 Ca -0.01 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 1e4x s LEU 20 Cb -0.19 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1e4x s LEU 20 CO -0.08 -0.03 0.11 -0.94 0.23 0.00 0.00 176.35 175.64 1e4x s SER 21 N 0.01 5.46 -0.34 2.29 1.04 -1.26 -1.83 113.70 119.06 1e4x s SER 21 Ca 0.43 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 1e4x s SER 21 Cb -0.22 -1.42 0.13 0.00 0.10 0.00 0.00 66.02 64.62 1e4x s SER 21 CO 0.26 0.10 0.20 0.00 0.98 0.00 0.00 173.24 174.78 1e4x s LYS 23 N 1.23 4.11 0.25 0.00 2.20 -0.23 -1.19 119.74 126.11 1e4x s LYS 23 Ca 0.16 0.46 -0.19 0.00 -0.36 0.00 0.00 55.97 56.04 1e4x s LYS 23 Cb -0.22 -3.64 -0.08 0.00 -1.51 0.00 0.00 37.83 32.38 1e4x s LYS 23 CO -0.06 -0.35 0.74 0.00 -0.36 0.00 0.00 175.35 175.32 1e4x s ALA 24 N 2.30 3.38 -0.02 3.13 0.00 -0.08 -0.32 121.76 130.15 1e4x s ALA 24 Ca 0.24 0.16 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 1e4x s ALA 24 Cb -0.16 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.17 1e4x s ALA 24 CO 0.09 0.32 0.40 -1.54 0.00 0.00 0.00 175.76 175.03 1e4x s SER 25 N -1.78 -0.30 0.00 0.00 1.04 0.11 -4.86 113.70 107.91 1e4x s SER 25 Ca 0.46 0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1e4x s SER 25 Cb -0.15 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1e4x s SER 25 CO 0.20 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1e4x n GLY 26 N 1.15 0.74 3.60 7.32 0.00 -1.25 0.11 105.19 116.86 1e4x n GLY 26 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.76 -0.26 -0.23 1.61 -0.71 -1.26 -4.54 117.98 109.83 1e4x s PHE 27 Ca 0.00 0.06 -0.08 0.00 -1.04 0.00 0.00 56.93 55.87 1e4x s PHE 27 Cb 0.00 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1e4x s PHE 27 CO 0.00 -0.66 0.09 0.99 -1.34 0.00 0.00 175.22 174.30 1e4x s THR 28 N -3.19 4.71 -2.14 -4.49 2.01 -1.26 -4.97 115.64 106.32 1e4x s THR 28 Ca 0.08 -0.04 0.20 0.00 0.31 0.00 0.00 61.69 62.24 1e4x s THR 28 Cb -0.01 -3.18 0.51 0.00 0.01 0.00 0.00 72.50 69.83 1e4x s THR 28 CO -0.05 0.37 1.67 2.22 -0.69 0.00 0.00 174.62 178.13 1e4x n PHE 29 N 4.42 0.09 -0.28 4.92 -1.74 -1.26 -4.47 117.46 119.14 1e4x n PHE 29 Ca -0.16 -0.04 -0.00 0.00 -0.56 0.00 0.00 57.45 56.68 1e4x n PHE 29 Cb 0.52 0.00 0.06 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 1.02 0.14 -0.58 1.97 2.02 -1.94 -2.58 112.91 112.96 1e4x h THR 30 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1e4x h THR 30 Cb 0.22 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1e4x h THR 30 CO 0.00 0.00 0.06 0.59 0.37 0.00 0.00 175.52 176.54 1e4x n ASN 31 N -5.49 5.36 -4.45 4.18 3.02 -1.26 -1.85 115.26 114.76 1e4x n ASN 31 Ca 0.09 -3.02 -0.33 0.00 -0.03 0.00 0.00 54.58 51.29 1e4x n ASN 31 Cb 0.39 -0.69 -0.13 0.00 -0.61 0.00 0.00 39.78 38.74 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 -2.84 2.74 0.28 3.10 1.51 -0.97 -4.87 117.35 116.30 1e4x s TYR 32 Ca 0.54 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 56.02 1e4x s TYR 32 Cb 0.42 -1.69 -0.10 0.00 -0.11 0.00 0.00 41.96 40.47 1e4x s TYR 32 CO 0.15 0.08 1.35 -1.58 -1.11 0.00 0.00 175.55 174.43 1e4x s TRP 33 N -0.42 3.08 -0.28 2.71 0.52 -0.58 -4.34 118.94 119.63 1e4x s TRP 33 Ca 0.05 1.27 -0.07 0.00 0.02 0.00 0.00 56.10 57.37 1e4x s TRP 33 Cb -0.12 -3.71 -0.00 0.00 -1.15 0.00 0.00 33.47 28.49 1e4x s TRP 33 CO 0.02 -2.09 0.07 -1.64 0.02 0.00 0.00 176.95 173.32 1e4x s MET 34 N -1.07 3.23 0.26 4.98 -1.94 0.28 -1.33 119.30 123.71 1e4x s MET 34 Ca 0.53 -0.76 0.06 0.00 -1.71 0.00 0.00 55.69 53.82 1e4x s MET 34 Cb -0.40 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.08 1e4x s MET 34 CO 0.47 -0.37 0.27 -1.01 -0.01 0.00 0.00 175.02 174.38 1e4x s HIS 35 N 1.52 3.19 -0.01 -0.03 0.09 0.17 -0.39 115.29 119.83 1e4x s HIS 35 Ca 0.04 -0.11 0.03 0.00 -0.00 0.00 0.00 55.06 55.01 1e4x s HIS 35 Cb -0.16 -1.53 -0.00 0.00 -0.00 0.00 0.00 32.58 30.88 1e4x s HIS 35 CO 0.02 0.43 -0.09 -1.58 -0.00 0.00 0.00 174.74 173.52 1e4x s TRP 36 N -2.11 0.87 -0.00 1.40 0.52 0.72 -1.35 118.94 118.99 1e4x s TRP 36 Ca 0.35 -0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.29 1e4x s TRP 36 Cb -0.08 -0.59 0.00 0.00 -1.15 0.00 0.00 33.47 31.65 1e4x s TRP 36 CO 0.27 -0.04 -0.00 0.08 0.02 0.00 0.00 176.95 177.27 1e4x s VAL 37 N -0.07 0.02 -0.15 4.03 1.01 -0.83 -0.74 120.40 123.67 1e4x s VAL 37 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1e4x s VAL 37 Cb -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 1e4x s VAL 37 CO -0.00 0.01 -0.03 -0.75 0.00 0.00 0.00 175.10 174.33 1e4x s LYS 38 N 0.02 3.63 -0.16 2.72 2.20 0.38 -0.77 119.74 127.75 1e4x s LYS 38 Ca -0.00 -0.50 -0.00 0.00 -0.36 0.00 0.00 55.97 55.10 1e4x s LYS 38 Cb -0.00 -2.92 0.04 0.00 -1.51 0.00 0.00 37.83 33.44 1e4x s LYS 38 CO -0.00 0.29 -0.07 -1.14 -0.36 0.00 0.00 175.35 174.07 1e4x s GLN 39 N 0.25 1.55 -0.10 4.03 0.74 0.18 -0.81 119.66 125.50 1e4x s GLN 39 Ca -0.02 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.89 1e4x s GLN 39 Cb -0.14 -1.99 0.01 0.00 1.10 0.00 0.00 33.01 32.00 1e4x s GLN 39 CO 0.03 -0.40 -0.15 0.50 -0.55 0.00 0.00 175.29 174.72 1e4x s ARG 40 N 1.61 2.12 0.10 1.67 3.52 -1.25 -1.24 118.95 125.48 1e4x s ARG 40 Ca 0.01 -0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 55.04 1e4x s ARG 40 Cb -0.15 -1.80 0.15 0.00 -1.56 0.00 0.00 34.95 31.58 1e4x s ARG 40 CO -0.08 -0.05 0.59 -2.30 -0.81 0.00 0.00 175.30 172.65 1e4x n PRO 41 N 4.16 -0.05 0.00 5.12 -0.02 -1.26 -2.91 135.00 140.03 1e4x n PRO 41 Ca -0.19 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1e4x n PRO 41 Cb 0.51 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1e4x n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e4x n GLY 42 N -1.22 0.01 2.64 -1.23 0.00 -1.26 -4.87 105.19 99.26 1e4x n GLY 42 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1e4x n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1e4x n GLN 43 N -0.59 0.00 0.00 1.61 3.00 -1.15 -4.99 117.38 115.26 1e4x n GLN 43 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1e4x n GLN 43 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 30.24 29.38 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 2.74 -0.24 3.43 1.08 0.00 -1.26 -4.40 105.19 106.54 1e4x n GLY 44 Ca 0.01 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 2.56 -0.06 0.99 1.43 -1.26 -3.78 118.68 118.56 1e4x s LEU 45 Ca 0.00 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1e4x s LEU 45 Cb 0.00 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.73 1e4x s LEU 45 CO 0.00 0.34 -0.14 -1.61 0.23 0.00 0.00 176.35 175.17 1e4x s GLU 46 N -0.70 1.73 -0.12 1.70 2.02 0.01 -4.97 118.70 118.36 1e4x s GLU 46 Ca 0.11 -0.49 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 1e4x s GLU 46 Cb -0.10 -1.45 -0.01 0.00 0.10 0.00 0.00 34.13 32.67 1e4x s GLU 46 CO 0.00 0.12 0.97 -0.46 0.02 0.00 0.00 175.26 175.91 1e4x s TRP 47 N 0.39 3.49 -0.12 1.61 -0.00 -1.26 -0.47 118.94 122.58 1e4x s TRP 47 Ca -0.10 1.52 -0.19 0.00 -0.00 0.00 0.00 56.10 57.33 1e4x s TRP 47 Cb -0.14 -3.15 -0.26 0.00 -0.00 0.00 0.00 33.47 29.92 1e4x s TRP 47 CO 0.03 -0.23 0.55 0.82 -0.00 0.00 0.00 176.95 178.12 1e4x h ILE 48 N 5.13 1.14 0.00 5.86 2.04 -1.29 -3.41 117.51 126.96 1e4x h ILE 48 Ca -0.30 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.19 1e4x h ILE 48 Cb 1.14 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 1e4x h ILE 48 CO 0.86 0.63 0.00 0.61 0.00 0.00 0.00 178.15 180.25 1e4x n GLY 49 N 1.67 -0.42 3.03 5.37 0.00 -1.19 -0.84 105.19 112.81 1e4x n GLY 49 Ca -0.23 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.94 0.44 0.00 1.61 -1.05 -0.68 -0.20 118.70 116.88 1e4x s GLU 50 Ca 0.00 -0.83 0.04 0.00 -0.15 0.00 0.00 54.97 54.03 1e4x s GLU 50 Cb 0.00 0.15 -0.01 0.00 -0.44 0.00 0.00 34.13 33.83 1e4x s GLU 50 CO 0.00 -0.08 -0.13 -1.50 0.95 0.00 0.00 175.26 174.50 1e4x s ILE 51 N -2.40 1.03 -0.40 1.83 2.07 0.48 -1.59 121.20 122.22 1e4x s ILE 51 Ca -0.07 -0.65 -0.16 0.00 -1.41 0.00 0.00 60.65 58.35 1e4x s ILE 51 Cb -0.03 -0.88 0.01 0.00 0.13 0.00 0.00 42.46 41.70 1e4x s ILE 51 CO -0.04 0.22 0.39 -0.22 -1.91 0.00 0.00 174.94 173.37 1e4x s LEU 52 N -0.50 4.83 0.33 8.50 2.96 -0.44 -0.56 118.68 133.80 1e4x s LEU 52 Ca 0.04 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.37 1e4x s LEU 52 Cb -0.06 -2.32 0.69 0.00 0.50 0.00 0.00 46.19 45.00 1e4x s LEU 52 CO -0.00 -0.50 1.90 -0.65 -1.32 0.00 0.00 176.35 175.77 1e4x h PRO 52 N 8.65 0.81 0.28 0.98 0.11 -1.76 0.23 132.00 141.31 1e4x h PRO 52 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1e4x h PRO 52 Cb 1.12 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1e4x h PRO 52 CO 0.76 0.54 -0.29 0.66 -0.21 0.00 0.00 178.00 179.46 1e4x h SER 53 N 0.84 -0.78 -0.19 -2.05 4.64 -1.67 -3.31 113.55 111.03 1e4x h SER 53 Ca 0.41 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1e4x h SER 53 Cb 0.45 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1e4x h SER 53 CO -0.17 -0.41 0.00 -0.46 -0.87 0.00 0.00 176.83 174.91 1e4x n ASN 54 N -5.41 2.41 -0.14 4.97 0.23 -1.22 -5.00 115.26 111.11 1e4x n ASN 54 Ca -0.09 -1.78 -0.02 0.00 -0.53 0.00 0.00 54.58 52.16 1e4x n ASN 54 Cb 0.31 -0.12 -0.01 0.00 -2.08 0.00 0.00 39.78 37.88 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 0.41 0.39 3.72 4.83 0.00 0.81 -4.97 105.19 110.38 1e4x n GLY 55 Ca 0.08 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1e4x n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e4x n ARG 56 N -1.07 2.05 -4.17 1.61 5.12 -1.21 -4.69 116.66 114.31 1e4x n ARG 56 Ca -0.02 0.73 -0.16 0.00 -1.93 0.00 0.00 57.85 56.47 1e4x n ARG 56 Cb 0.30 -2.48 -0.11 0.00 -1.16 0.00 0.00 32.46 29.00 1e4x n ARG 56 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1e4x s THR 57 N -1.20 1.02 -0.13 0.55 -4.23 -1.26 -1.33 115.64 109.06 1e4x s THR 57 Ca 0.61 -1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1e4x s THR 57 Cb -0.48 -1.21 0.04 0.00 1.34 0.00 0.00 72.50 72.19 1e4x s THR 57 CO 0.58 -0.40 -0.01 0.20 -0.54 0.00 0.00 174.62 174.45 1e4x s ASN 58 N -2.11 2.33 0.25 3.99 0.01 -0.62 -5.01 114.94 113.79 1e4x s ASN 58 Ca 0.02 -0.46 0.08 0.00 -0.71 0.00 0.00 52.86 51.79 1e4x s ASN 58 Cb -0.06 -0.65 -0.04 0.00 0.41 0.00 0.00 41.25 40.91 1e4x s ASN 58 CO 0.01 -0.21 0.11 -0.31 -1.51 0.00 0.00 177.10 175.19 1e4x s TYR 59 N 1.82 2.95 -0.25 2.20 1.51 -1.26 -1.68 117.35 122.64 1e4x s TYR 59 Ca 0.02 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.65 1e4x s TYR 59 Cb -0.14 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 1e4x s TYR 59 CO -0.07 0.56 1.04 1.21 -1.11 0.00 0.00 175.55 177.18 1e4x s ASN 60 N -3.72 7.06 0.31 2.29 3.84 -0.02 -4.92 114.94 119.78 1e4x s ASN 60 Ca 0.32 1.31 0.06 0.00 0.21 0.00 0.00 52.86 54.76 1e4x s ASN 60 Cb -0.07 -2.54 0.84 0.00 -0.55 0.00 0.00 41.25 38.93 1e4x s ASN 60 CO 0.23 -0.71 1.63 -0.08 -2.79 0.00 0.00 177.10 175.38 1e4x h GLU 61 N 7.58 0.18 -1.08 0.43 4.57 -1.95 0.63 114.58 124.94 1e4x h GLU 61 Ca -0.19 -0.01 0.31 0.00 -1.18 0.00 0.00 59.36 58.28 1e4x h GLU 61 Cb 1.06 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.50 1e4x h GLU 61 CO 0.99 0.12 0.68 -0.22 -1.18 0.00 0.00 179.01 179.39 1e4x h LYS 62 N 0.18 0.34 -0.21 1.92 3.64 -1.96 -2.12 116.57 118.37 1e4x h LYS 62 Ca 0.62 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1e4x h LYS 62 Cb 1.33 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1e4x h LYS 62 CO -0.69 0.22 0.00 1.19 -2.27 0.00 0.00 179.45 177.90 1e4x n PHE 63 N -4.75 0.26 -0.35 1.91 3.01 0.21 -4.82 117.46 112.93 1e4x n PHE 63 Ca 0.29 -0.13 0.24 0.00 1.01 0.00 0.00 57.45 58.86 1e4x n PHE 63 Cb 0.98 0.00 0.50 0.00 -0.01 0.00 0.00 39.48 40.95 1e4x n PHE 63 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1e4x h LYS 64 N 4.41 0.37 0.00 -1.08 1.57 -1.35 0.32 116.57 120.80 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 0.95 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1e4x h LYS 64 CO 0.00 0.25 -0.03 2.41 -0.57 0.00 0.00 179.45 181.51 1e4x n THR 65 N -4.74 1.60 -0.00 -0.16 -1.04 -1.26 -4.28 114.28 104.40 1e4x n THR 65 Ca 0.28 -1.89 -0.20 0.00 -2.04 0.00 0.00 64.05 60.20 1e4x n THR 65 Cb 0.94 -0.05 -0.14 0.00 -1.82 0.00 0.00 70.33 69.26 1e4x n THR 65 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1e4x h LYS 66 N 0.00 0.20 -5.56 -2.82 1.63 -1.37 -3.48 116.57 105.17 1e4x h LYS 66 Ca 0.00 -0.34 -0.66 0.00 -0.85 0.00 0.00 60.65 58.79 1e4x h LYS 66 Cb 0.93 0.13 -0.32 0.00 -0.60 0.00 0.00 32.23 32.37 1e4x h LYS 66 CO 0.00 1.16 -0.87 0.00 -3.45 0.00 0.00 179.45 176.29 1e4x s ALA 67 N -2.42 2.05 -0.12 5.00 0.00 0.93 -3.95 121.76 123.25 1e4x s ALA 67 Ca -0.19 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1e4x s ALA 67 Cb 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1e4x s ALA 67 CO 0.75 0.33 -0.11 0.99 0.00 0.00 0.00 175.76 177.72 1e4x s THR 68 N 0.12 1.27 -0.16 0.00 2.01 -0.82 -4.63 115.64 113.43 1e4x s THR 68 Ca -0.11 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.35 1e4x s THR 68 Cb -0.15 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1e4x s THR 68 CO 0.06 0.40 0.13 -0.76 -0.69 0.00 0.00 174.62 173.77 1e4x s LEU 69 N 1.45 4.29 0.00 4.42 1.02 -1.26 -0.38 118.68 128.23 1e4x s LEU 69 Ca 0.02 0.35 0.06 0.00 0.02 0.00 0.00 54.13 54.58 1e4x s LEU 69 Cb -0.13 -2.08 -0.02 0.00 0.02 0.00 0.00 46.19 43.98 1e4x s LEU 69 CO -0.07 0.29 0.23 0.35 0.02 0.00 0.00 176.35 177.17 1e4x n THR 70 N 2.76 0.00 -3.91 5.49 -2.24 -0.62 -5.02 114.28 110.74 1e4x n THR 70 Ca -0.18 -2.36 -0.09 0.00 -2.27 0.00 0.00 64.05 59.15 1e4x n THR 70 Cb 0.53 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.74 1e4x n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1e4x s VAL 71 N -3.23 0.15 -0.25 2.28 0.11 -1.26 -1.90 120.40 116.31 1e4x s VAL 71 Ca 0.32 -1.24 -0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1e4x s VAL 71 Cb 0.02 -1.21 0.07 0.00 -1.53 0.00 0.00 36.38 33.72 1e4x s VAL 71 CO 0.23 -0.68 0.01 -0.62 -3.33 0.00 0.00 175.10 170.70 1e4x s ASP 72 N -2.60 3.74 0.24 3.54 -1.08 0.81 -4.98 116.67 116.33 1e4x s ASP 72 Ca 0.02 -1.27 -0.03 0.00 -0.52 0.00 0.00 52.55 50.74 1e4x s ASP 72 Cb 0.03 -1.00 0.27 0.00 -1.46 0.00 0.00 42.92 40.76 1e4x s ASP 72 CO -0.08 -0.31 1.70 0.11 0.52 0.00 0.00 175.17 177.11 1e4x h LYS 73 N 8.03 0.78 -0.47 4.34 1.57 -1.94 -1.69 116.57 127.19 1e4x h LYS 73 Ca -0.15 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 1e4x h LYS 73 Cb 1.07 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1e4x h LYS 73 CO 0.42 0.86 -0.10 0.66 -0.57 0.00 0.00 179.45 180.72 1e4x h SER 74 N 0.71 0.84 -0.24 0.86 4.64 -1.96 -1.82 113.55 116.57 1e4x h SER 74 Ca 0.12 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1e4x h SER 74 Cb 0.58 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1e4x h SER 74 CO 0.04 0.96 0.00 -1.54 -0.87 0.00 0.00 176.83 175.41 1e4x n SER 75 N -4.16 2.12 -3.98 4.97 3.41 -1.17 -4.96 113.62 109.86 1e4x n SER 75 Ca 0.02 -1.81 -0.28 0.00 -0.26 0.00 0.00 58.87 56.54 1e4x n SER 75 Cb 0.37 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1e4x n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1e4x n ASN 76 N 0.63 -1.54 -4.15 4.04 4.05 -0.69 -4.73 115.26 112.88 1e4x n ASN 76 Ca 0.16 -0.96 -0.26 0.00 0.45 0.00 0.00 54.58 53.97 1e4x n ASN 76 Cb 0.39 -3.18 -0.16 0.00 1.23 0.00 0.00 39.78 38.06 1e4x n ASN 76 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1e4x s THR 77 N -3.72 1.42 -0.08 -0.44 2.01 -0.91 -0.91 115.64 113.02 1e4x s THR 77 Ca 0.24 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 1e4x s THR 77 Cb -0.13 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1e4x s THR 77 CO 0.88 0.41 -0.05 0.00 -0.69 0.00 0.00 174.62 175.17 1e4x s ALA 78 N -0.14 3.05 0.12 7.40 0.00 -0.34 -0.14 121.76 131.71 1e4x s ALA 78 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.16 1e4x s ALA 78 Cb -0.10 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1e4x s ALA 78 CO 0.01 0.54 -0.16 0.71 0.00 0.00 0.00 175.76 176.86 1e4x s TYR 79 N -0.70 1.51 -0.15 0.00 2.02 -0.80 -0.03 117.35 119.20 1e4x s TYR 79 Ca 0.11 -0.51 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 1e4x s TYR 79 Cb -0.11 -0.79 0.06 0.00 -0.40 0.00 0.00 41.96 40.71 1e4x s TYR 79 CO 0.02 0.18 0.12 1.41 -1.57 0.00 0.00 175.55 175.71 1e4x s MET 80 N -2.45 0.07 -0.03 -0.62 -2.45 -0.76 -1.58 119.30 111.48 1e4x s MET 80 Ca 0.08 0.11 -0.18 0.00 -1.25 0.00 0.00 55.69 54.46 1e4x s MET 80 Cb -0.07 -1.35 -0.05 0.00 1.25 0.00 0.00 34.83 34.61 1e4x s MET 80 CO 0.04 -0.58 0.50 -1.14 1.05 0.00 0.00 175.02 174.88 1e4x s GLN 81 N 2.20 4.19 0.30 4.11 0.74 0.49 -0.74 119.66 130.95 1e4x s GLN 81 Ca 0.04 0.54 0.10 0.00 0.05 0.00 0.00 55.36 56.09 1e4x s GLN 81 Cb -0.15 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.59 1e4x s GLN 81 CO -0.09 0.44 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.51 1e4x s LEU 82 N -0.33 2.92 0.00 3.68 1.02 -0.18 -1.94 118.68 123.84 1e4x s LEU 82 Ca 0.27 -0.89 0.00 0.00 0.02 0.00 0.00 54.13 53.52 1e4x s LEU 82 Cb -0.17 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.66 1e4x s LEU 82 CO 0.14 -0.06 0.00 -1.20 0.02 0.00 0.00 176.35 175.25 1e4x n SER 82 N -0.82 0.00 -4.73 2.29 7.64 -1.07 -0.95 113.62 115.98 1e4x n SER 82 Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 1e4x n SER 82 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.78 1e4x n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1e4x s LEU 82 N -3.03 4.38 0.45 -3.43 1.43 -0.59 -4.55 118.68 113.35 1e4x s LEU 82 Ca 0.00 2.50 0.03 0.00 -1.03 0.00 0.00 54.13 55.63 1e4x s LEU 82 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1e4x s LEU 82 CO 0.00 -0.70 0.04 0.42 0.23 0.00 0.00 176.35 176.34 1e4x s THR 83 N 0.70 1.18 0.43 5.49 -4.23 -1.26 0.17 115.64 118.12 1e4x s THR 83 Ca 0.64 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.24 1e4x s THR 83 Cb -0.40 -2.41 0.27 0.00 1.34 0.00 0.00 72.50 71.30 1e4x s THR 83 CO 0.35 0.00 2.08 -1.28 -0.54 0.00 0.00 174.62 175.23 1e4x h SER 84 N 1.59 0.37 0.00 3.99 0.87 -1.96 -0.57 113.55 117.84 1e4x h SER 84 Ca -0.42 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1e4x h SER 84 Cb 1.29 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1e4x h SER 84 CO 0.71 0.26 0.15 -0.33 -0.53 0.00 0.00 176.83 177.09 1e4x h GLU 85 N 0.43 0.00 -0.00 2.24 4.39 -1.95 -2.09 114.58 117.60 1e4x h GLU 85 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1e4x h GLU 85 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1e4x h GLU 85 CO -0.03 0.00 -0.47 -0.25 -1.16 0.00 0.00 179.01 177.11 1e4x n ASP 86 N -2.93 0.80 -4.74 1.42 8.00 -0.22 -4.89 116.55 113.98 1e4x n ASP 86 Ca -0.02 -0.59 -0.42 0.00 0.71 0.00 0.00 54.79 54.47 1e4x n ASP 86 Cb 0.21 0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 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 -2.81 6.56 0.00 -2.24 0.01 -0.79 -4.89 113.70 109.54 1e4x s SER 87 Ca 0.15 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.15 1e4x s SER 87 Cb 0.18 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1e4x s SER 87 CO 0.65 -0.79 0.00 0.00 0.41 0.00 0.00 173.24 173.52 1e4x n ALA 88 N 2.60 0.00 -2.63 1.44 0.00 -0.30 -4.86 120.51 116.76 1e4x n ALA 88 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 1e4x n ALA 88 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.00 5.33 -0.23 0.00 1.01 -0.38 -0.39 120.40 123.75 1e4x s VAL 89 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1e4x s VAL 89 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1e4x s VAL 89 CO 0.00 0.30 0.05 -0.31 0.00 0.00 0.00 175.10 175.14 1e4x s TYR 90 N 1.35 3.09 0.11 5.22 2.02 -0.22 0.47 117.35 129.39 1e4x s TYR 90 Ca 0.08 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.44 1e4x s TYR 90 Cb -0.15 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 1e4x s TYR 90 CO 0.07 -0.28 -0.00 0.71 -1.57 0.00 0.00 175.55 174.48 1e4x s TYR 91 N 1.31 2.95 0.21 2.71 2.02 0.05 -0.70 117.35 125.90 1e4x s TYR 91 Ca 0.05 -0.06 0.09 0.00 -0.37 0.00 0.00 57.07 56.78 1e4x s TYR 91 Cb -0.15 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1e4x s TYR 91 CO 0.03 0.49 -0.07 0.00 -1.57 0.00 0.00 175.55 174.42 1e4x s ALA 93 N -1.96 -0.62 0.22 0.00 0.00 -0.46 -0.11 121.76 118.83 1e4x s ALA 93 Ca 0.27 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.90 1e4x s ALA 93 Cb -0.08 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1e4x s ALA 93 CO 0.17 -0.73 -0.10 -0.98 0.00 0.00 0.00 175.76 174.12 1e4x s ARG 94 N -3.90 2.03 -0.18 0.00 1.70 -0.62 0.43 118.95 118.41 1e4x s ARG 94 Ca 0.11 -1.39 -0.09 0.00 -0.47 0.00 0.00 55.73 53.90 1e4x s ARG 94 Cb 0.01 -2.09 0.07 0.00 -0.57 0.00 0.00 34.95 32.37 1e4x s ARG 94 CO -0.03 0.40 0.42 -1.54 -1.08 0.00 0.00 175.30 173.47 1e4x s SER 95 N -3.11 -0.43 0.00 -2.89 1.04 -0.44 -3.50 113.70 104.36 1e4x s SER 95 Ca 0.27 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1e4x s SER 95 Cb -0.08 0.96 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1e4x s SER 95 CO 0.16 -0.21 0.00 -0.81 0.98 0.00 0.00 173.24 173.36 1e4x n PRO 96 N 4.62 1.13 -3.98 4.02 -0.04 -1.26 -1.53 135.00 137.97 1e4x n PRO 96 Ca -0.19 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.93 1e4x n PRO 96 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.99 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 -2.79 -2.50 -4.77 3.54 2.88 -1.26 -4.79 113.62 103.92 1e4x n SER 97 Ca 0.00 -1.14 -0.41 0.00 -1.33 0.00 0.00 58.87 55.99 1e4x n SER 97 Cb 0.00 -2.50 -0.01 0.00 -0.75 0.00 0.00 64.21 60.95 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 -3.90 6.49 0.01 -3.46 1.11 -1.25 -4.97 116.67 110.70 1e4x s ASP 98 Ca 0.27 2.91 0.03 0.00 0.18 0.00 0.00 52.55 55.94 1e4x s ASP 98 Cb -0.12 -2.66 -0.01 0.00 1.07 0.00 0.00 42.92 41.20 1e4x s ASP 98 CO 0.92 -0.77 -0.09 -0.31 1.18 0.00 0.00 175.17 176.11 1e4x s TYR 99 N -0.93 0.77 0.19 4.23 1.51 -1.23 -4.98 117.35 116.91 1e4x s TYR 99 Ca 0.53 -0.25 0.09 0.00 -1.01 0.00 0.00 57.07 56.43 1e4x s TYR 99 Cb -0.44 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1e4x s TYR 99 CO 0.57 -0.02 -0.06 -1.58 -1.11 0.00 0.00 175.55 173.35 1e4x s TRP 100 N -0.56 2.69 1.00 2.71 0.52 -1.26 -1.59 118.94 122.45 1e4x s TRP 100 Ca -0.00 -0.20 -0.17 0.00 0.02 0.00 0.00 56.10 55.75 1e4x s TRP 100 Cb -0.05 -1.29 0.24 0.00 -1.15 0.00 0.00 33.47 31.22 1e4x s TRP 100 CO 0.00 0.53 0.99 0.41 0.02 0.00 0.00 176.95 178.91 1e4x n GLY 101 N -0.12 -2.39 0.12 0.98 0.00 0.84 -4.61 105.19 100.00 1e4x n GLY 101 Ca -0.10 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.44 115.11 115.58 1e4x h GLN 102 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1e4x h GLN 102 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1e4x h GLN 102 CO 0.24 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.81 1e4x n GLY 103 N 1.27 0.35 3.27 3.46 0.00 -1.26 -5.00 105.19 107.28 1e4x n GLY 103 Ca 0.05 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.86 3.22 -0.49 2.61 2.01 0.12 -4.62 115.64 116.63 1e4x s THR 104 Ca 0.00 -0.69 -0.27 0.00 0.31 0.00 0.00 61.69 61.04 1e4x s THR 104 Cb 0.00 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 70.01 1e4x s THR 104 CO 0.00 0.33 1.06 -0.89 -0.69 0.00 0.00 174.62 174.44 1e4x s THR 105 N 1.43 4.27 -0.21 -0.82 2.01 -0.35 -1.06 115.64 120.92 1e4x s THR 105 Ca 0.04 0.95 -0.06 0.00 0.31 0.00 0.00 61.69 62.92 1e4x s THR 105 Cb -0.15 -4.57 -0.03 0.00 0.01 0.00 0.00 72.50 67.76 1e4x s THR 105 CO -0.04 -1.02 0.04 -0.22 -0.69 0.00 0.00 174.62 172.70 1e4x s LEU 106 N 4.28 3.50 -0.15 4.42 0.20 0.48 -1.64 118.68 129.77 1e4x s LEU 106 Ca 0.42 -0.10 -0.01 0.00 0.69 0.00 0.00 54.13 55.13 1e4x s LEU 106 Cb -0.08 -1.90 -0.01 0.00 -0.43 0.00 0.00 46.19 43.76 1e4x s LEU 106 CO 0.28 0.08 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.42 1e4x s THR 107 N 0.93 3.12 -0.28 3.68 2.01 0.49 -1.15 115.64 124.44 1e4x s THR 107 Ca 0.03 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1e4x s THR 107 Cb -0.14 -2.33 0.07 0.00 0.01 0.00 0.00 72.50 70.11 1e4x s THR 107 CO 0.02 0.51 -0.06 0.54 -0.69 0.00 0.00 174.62 174.95 1e4x s VAL 108 N 0.54 2.36 -0.03 3.82 0.11 -1.26 -0.98 120.40 124.96 1e4x s VAL 108 Ca -0.08 -1.72 -0.09 0.00 -2.93 0.00 0.00 61.98 57.16 1e4x s VAL 108 Cb -0.15 -2.45 0.01 0.00 -1.53 0.00 0.00 36.38 32.26 1e4x s VAL 108 CO 0.04 -0.16 0.21 -0.55 -3.33 0.00 0.00 175.10 171.31 1e4x s SER 109 N 1.12 -0.12 0.00 3.54 0.15 -0.91 -4.52 113.70 112.96 1e4x s SER 109 Ca -0.05 0.10 0.21 0.00 0.70 0.00 0.00 55.95 56.91 1e4x s SER 109 Cb -0.20 0.32 0.61 0.00 -1.71 0.00 0.00 66.02 65.04 1e4x s SER 109 CO -0.05 -0.29 1.51 -1.54 1.20 0.00 0.00 173.24 174.07 1e4x n SER 110 N 1.94 3.70 -4.75 5.45 3.41 -1.26 -4.33 113.62 117.77 1e4x n SER 110 Ca -0.19 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.05 1e4x n SER 110 Cb 0.57 -0.46 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1e4x n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e4x s ALA 111 N -1.08 2.64 0.10 7.33 0.00 -1.26 -5.03 121.76 124.46 1e4x s ALA 111 Ca 0.46 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.56 1e4x s ALA 111 Cb 0.24 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1e4x s ALA 111 CO 0.31 -1.19 0.04 0.15 0.00 0.00 0.00 175.76 175.07 1e4x s LYS 112 N -3.16 2.69 -0.69 0.00 1.02 -1.26 -5.02 119.74 113.31 1e4x s LYS 112 Ca 0.75 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 1e4x s LYS 112 Cb -0.33 -2.61 -0.14 0.00 -0.52 0.00 0.00 37.83 34.22 1e4x s LYS 112 CO 0.37 0.54 2.51 2.41 -0.92 0.00 0.00 175.35 180.26 1e4x n THR 113 N 0.42 -0.01 -4.84 2.17 -1.04 -1.26 -4.73 114.28 104.99 1e4x n THR 113 Ca -0.10 -0.36 -0.33 0.00 -2.04 0.00 0.00 64.05 61.22 1e4x n THR 113 Cb 0.52 -1.59 -0.15 0.00 -1.82 0.00 0.00 70.33 67.29 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 10.05 2.92 0.35 12.58 2.01 -0.11 -4.95 115.64 138.47 1e4x s THR 114 Ca 1.17 -0.71 -0.25 0.00 0.31 0.00 0.00 61.69 62.20 1e4x s THR 114 Cb -0.77 -2.21 -0.10 0.00 0.01 0.00 0.00 72.50 69.43 1e4x s THR 114 CO 0.40 0.53 0.95 0.00 -0.69 0.00 0.00 174.62 175.82 1e4x s ALA 115 N 0.31 3.17 0.62 7.40 0.00 -1.26 -1.56 121.76 130.44 1e4x s ALA 115 Ca -0.11 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 1e4x s ALA 115 Cb -0.16 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1e4x s ALA 115 CO 0.06 0.14 1.06 -1.25 0.00 0.00 0.00 175.76 175.77 1e4x s PRO 116 N -2.28 3.19 -0.21 0.00 0.04 -1.26 -4.57 135.00 129.91 1e4x s PRO 116 Ca 0.53 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1e4x s PRO 116 Cb -0.17 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1e4x s PRO 116 CO 0.22 -0.91 0.09 -1.12 0.04 0.00 0.00 177.00 175.32 1e4x s SER 117 N -2.91 5.68 -0.36 6.66 0.01 -0.41 -4.94 113.70 117.42 1e4x s SER 117 Ca 0.63 0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.85 1e4x s SER 117 Cb -0.16 -1.99 0.04 0.00 0.21 0.00 0.00 66.02 64.11 1e4x s SER 117 CO 0.40 0.12 0.16 -0.69 0.41 0.00 0.00 173.24 173.64 1e4x s VAL 118 N 0.73 4.11 -0.08 3.43 1.01 -1.26 -0.91 120.40 127.43 1e4x s VAL 118 Ca 0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1e4x s VAL 118 Cb -0.13 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1e4x s VAL 118 CO 0.02 -0.24 0.05 -0.31 0.00 0.00 0.00 175.10 174.62 1e4x s TYR 119 N 1.46 3.29 0.41 5.22 2.02 0.17 -4.94 117.35 124.98 1e4x s TYR 119 Ca 0.00 0.28 -0.24 0.00 -0.37 0.00 0.00 57.07 56.74 1e4x s TYR 119 Cb -0.20 -1.81 -0.08 0.00 -0.40 0.00 0.00 41.96 39.46 1e4x s TYR 119 CO 0.04 0.55 1.11 -1.25 -1.57 0.00 0.00 175.55 174.43 1e4x s PRO 120 N -1.08 4.04 -0.25 -1.71 0.04 -1.26 -0.65 135.00 134.12 1e4x s PRO 120 Ca 0.15 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1e4x s PRO 120 Cb -0.12 -2.55 0.07 0.00 0.04 0.00 0.00 34.50 31.94 1e4x s PRO 120 CO 0.05 -0.29 -0.01 -0.51 0.04 0.00 0.00 177.00 176.28 1e4x s LEU 121 N -2.69 2.57 0.02 -3.56 1.02 0.10 -4.81 118.68 111.33 1e4x s LEU 121 Ca 0.59 -1.29 0.01 0.00 0.02 0.00 0.00 54.13 53.46 1e4x s LEU 121 Cb -0.26 -1.11 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 1e4x s LEU 121 CO 0.32 -0.28 -0.04 0.00 0.02 0.00 0.00 176.35 176.37 1e4x s ALA 122 N 1.43 0.28 0.53 4.21 0.00 -1.26 -0.57 121.76 126.38 1e4x s ALA 122 Ca -0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 51.96 51.28 1e4x s ALA 122 Cb -0.18 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 1e4x s ALA 122 CO -0.09 -0.04 1.25 -0.35 0.00 0.00 0.00 175.76 176.53 1e4x n PRO 123 N 2.12 1.56 -1.70 0.00 -0.04 -1.26 -4.76 135.00 130.92 1e4x n PRO 123 Ca -0.19 0.57 -0.63 0.00 -0.04 0.00 0.00 63.50 63.21 1e4x n PRO 123 Cb 0.57 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.50 1e4x n PRO 123 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1e4x n VAL 124 N -0.99 0.09 0.00 0.52 0.31 -1.26 -4.38 118.33 112.61 1e4x n VAL 124 Ca 0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1e4x n VAL 124 Cb 0.44 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.00 0.00 3.15 0.00 0.00 -1.26 -4.55 105.19 102.53 1e4x n GLY 126 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1e4x n GLY 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e4x s ASP 127 N -0.58 -0.38 -0.24 1.61 1.11 -1.25 -4.83 116.67 112.11 1e4x s ASP 127 Ca 0.00 0.21 -0.35 0.00 0.18 0.00 0.00 52.55 52.59 1e4x s ASP 127 Cb 0.00 1.31 -0.11 0.00 1.07 0.00 0.00 42.92 45.19 1e4x s ASP 127 CO 0.00 -0.07 2.02 1.07 1.18 0.00 0.00 175.17 179.37 1e4x n THR 128 N 5.43 0.36 -0.32 -1.27 5.66 -1.26 -4.72 114.28 118.16 1e4x n THR 128 Ca -0.05 -0.20 -0.12 0.00 -3.05 0.00 0.00 64.05 60.63 1e4x n THR 128 Cb 0.54 -1.76 0.01 0.00 -1.55 0.00 0.00 70.33 67.58 1e4x n THR 128 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1e4x n THR 129 N 6.18 0.00 0.00 1.09 -2.24 -1.26 -4.99 114.28 113.05 1e4x n THR 129 Ca 0.32 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1e4x n THR 129 Cb 0.26 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.12 2.71 0.13 3.38 0.00 -1.26 -4.90 105.19 106.37 1e4x n GLY 130 Ca -0.01 -1.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.19 1e4x n GLY 130 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1e4x h SER 131 N 0.00 0.01 -3.01 1.61 0.87 -1.96 -3.42 113.55 107.65 1e4x h SER 131 Ca 0.00 -0.01 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 1e4x h SER 131 Cb 0.00 -0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.82 1e4x h SER 131 CO 0.00 0.68 -0.65 -0.94 -0.53 0.00 0.00 176.83 175.39 1e4x s SER 132 N -6.83 2.65 0.02 6.23 1.04 -1.26 0.40 113.70 115.94 1e4x s SER 132 Ca -0.01 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1e4x s SER 132 Cb 0.12 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1e4x s SER 132 CO 0.77 -0.44 -0.03 0.54 0.98 0.00 0.00 173.24 175.06 1e4x s VAL 133 N -3.11 0.15 -0.14 5.02 0.11 0.17 -4.56 120.40 118.04 1e4x s VAL 133 Ca 0.32 -0.80 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1e4x s VAL 133 Cb 0.06 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1e4x s VAL 133 CO 0.13 -0.41 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.49 1e4x s THR 134 N -1.24 3.14 0.00 5.04 2.01 -1.26 0.04 115.64 123.38 1e4x s THR 134 Ca -0.13 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1e4x s THR 134 Cb -0.09 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.09 1e4x s THR 134 CO -0.01 0.51 0.00 0.18 -0.69 0.00 0.00 174.62 174.62 1e4x n LEU 135 N 3.63 0.00 0.00 4.42 7.99 0.11 -4.55 117.00 128.59 1e4x n LEU 135 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 1e4x n LEU 135 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 1e4x n LEU 135 CO 0.31 -0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.72 1e4x n GLY 136 N 5.00 0.71 2.97 -0.72 0.00 0.27 -2.80 105.19 110.62 1e4x n GLY 136 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 1e4x n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e4x s LEU 138 N 0.06 3.60 -0.43 0.00 2.96 0.18 -1.56 118.68 123.49 1e4x s LEU 138 Ca -0.00 -0.62 -0.08 0.00 -0.22 0.00 0.00 54.13 53.20 1e4x s LEU 138 Cb -0.05 -1.84 0.09 0.00 0.50 0.00 0.00 46.19 44.89 1e4x s LEU 138 CO -0.00 -0.14 0.26 -0.69 -1.32 0.00 0.00 176.35 174.46 1e4x s VAL 139 N 1.49 4.08 0.03 1.68 1.01 0.36 -0.65 120.40 128.40 1e4x s VAL 139 Ca 0.03 -1.56 0.06 0.00 0.00 0.00 0.00 61.98 60.51 1e4x s VAL 139 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1e4x s VAL 139 CO 0.01 -0.57 -0.13 -0.75 0.00 0.00 0.00 175.10 173.66 1e4x s LYS 140 N 1.37 2.25 -0.75 2.72 2.20 -0.09 -0.21 119.74 127.24 1e4x s LYS 140 Ca 0.04 -0.89 -0.01 0.00 -0.36 0.00 0.00 55.97 54.75 1e4x s LYS 140 Cb -0.24 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 1e4x s LYS 140 CO 0.01 0.56 0.63 0.41 -0.36 0.00 0.00 175.35 176.59 1e4x n GLY 141 N 1.47 -0.03 3.71 5.54 0.00 -0.61 -1.29 105.19 113.98 1e4x n GLY 141 Ca -0.16 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 2.61 -0.29 1.61 1.13 -0.53 -4.37 117.35 114.30 1e4x s TYR 142 Ca 0.07 -0.51 -0.19 0.00 -1.41 0.00 0.00 57.07 55.02 1e4x s TYR 142 Cb -0.03 -1.77 0.16 0.00 -1.10 0.00 0.00 41.96 39.21 1e4x s TYR 142 CO 0.44 0.30 1.09 0.12 -2.51 0.00 0.00 175.55 174.99 1e4x s PHE 143 N -2.55 -0.41 0.49 -3.49 2.19 -0.60 -0.39 117.98 113.22 1e4x s PHE 143 Ca 0.39 0.87 -0.01 0.00 0.33 0.00 0.00 56.93 58.51 1e4x s PHE 143 Cb 0.02 0.32 0.10 0.00 -1.31 0.00 0.00 43.02 42.14 1e4x s PHE 143 CO 0.22 -0.20 0.68 -0.35 1.83 0.00 0.00 175.22 177.39 1e4x n PRO 144 N 3.00 0.09 -1.54 10.12 -0.04 -1.26 -0.94 135.00 144.44 1e4x n PRO 144 Ca -0.16 -1.80 -0.32 0.00 -0.04 0.00 0.00 63.50 61.18 1e4x n PRO 144 Cb 0.57 -0.46 0.06 0.00 -0.04 0.00 0.00 33.50 33.63 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 -4.23 2.66 0.44 0.54 2.02 -1.26 -4.72 118.70 114.15 1e4x s GLU 145 Ca 0.45 1.17 0.03 0.00 0.02 0.00 0.00 54.97 56.64 1e4x s GLU 145 Cb -0.02 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.29 1e4x s GLU 145 CO 0.30 -1.33 0.29 -0.35 0.02 0.00 0.00 175.26 174.18 1e4x n PRO 146 N -3.01 0.86 -4.91 0.39 -0.04 -1.26 -4.98 135.00 122.05 1e4x n PRO 146 Ca 0.09 -2.79 -0.28 0.00 -0.04 0.00 0.00 63.50 60.49 1e4x n PRO 146 Cb 0.53 0.36 -0.16 0.00 -0.04 0.00 0.00 33.50 34.19 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 -2.23 1.57 -0.25 0.52 0.11 -1.26 -4.30 120.40 114.56 1e4x s VAL 147 Ca 0.22 -0.76 -0.10 0.00 -2.93 0.00 0.00 61.98 58.40 1e4x s VAL 147 Cb -0.02 -1.36 -0.05 0.00 -1.53 0.00 0.00 36.38 33.42 1e4x s VAL 147 CO 0.14 0.45 0.15 -0.89 -3.33 0.00 0.00 175.10 171.61 1e4x s THR 148 N 0.24 5.09 -0.12 5.04 2.01 0.53 -4.93 115.64 123.50 1e4x s THR 148 Ca -0.10 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.01 1e4x s THR 148 Cb -0.14 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 68.99 1e4x s THR 148 CO 0.04 0.32 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.90 1e4x s LEU 149 N 1.37 1.85 0.30 4.42 0.20 -1.26 0.28 118.68 125.85 1e4x s LEU 149 Ca 0.07 -0.50 0.05 0.00 0.69 0.00 0.00 54.13 54.44 1e4x s LEU 149 Cb -0.15 -1.22 -0.06 0.00 -0.43 0.00 0.00 46.19 44.33 1e4x s LEU 149 CO 0.07 0.03 0.00 0.42 -0.29 0.00 0.00 176.35 176.58 1e4x s THR 150 N 0.98 1.38 -0.11 3.68 -4.23 0.41 -4.96 115.64 112.78 1e4x s THR 150 Ca -0.05 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.43 1e4x s THR 150 Cb -0.15 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.11 1e4x s THR 150 CO -0.03 -0.17 -0.19 0.26 -0.54 0.00 0.00 174.62 173.96 1e4x s TRP 151 N -3.18 2.25 -1.49 3.99 0.52 -1.26 0.88 118.94 120.66 1e4x s TRP 151 Ca 0.32 -1.05 -0.03 0.00 0.02 0.00 0.00 56.10 55.36 1e4x s TRP 151 Cb 0.06 -1.57 0.03 0.00 -1.15 0.00 0.00 33.47 30.84 1e4x s TRP 151 CO 0.13 -0.50 0.38 0.09 0.02 0.00 0.00 176.95 177.07 1e4x n ASN 152 N 4.02 -0.45 -3.66 2.95 3.02 -0.39 -0.97 115.26 119.78 1e4x n ASN 152 Ca -0.20 -1.07 -0.27 0.00 -0.03 0.00 0.00 54.58 53.01 1e4x n ASN 152 Cb 0.52 -2.66 0.04 0.00 -0.61 0.00 0.00 39.78 37.07 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 -2.91 -5.46 0.00 6.41 7.64 -1.26 -1.58 113.62 116.45 1e4x n SER 153 Ca -0.26 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1e4x n SER 153 Cb 0.66 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 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 -1.75 2.04 0.17 0.23 0.00 -0.14 -4.87 105.19 100.86 1e4x n GLY 154 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 0.26 -3.31 1.61 4.64 -1.12 -3.37 113.55 112.26 1e4x h SER 155 Ca 0.00 -0.15 -0.77 0.00 -0.47 0.00 0.00 61.79 60.40 1e4x h SER 155 Cb 0.00 -0.08 -0.25 0.00 -0.31 0.00 0.00 62.40 61.77 1e4x h SER 155 CO 0.00 0.80 -0.12 -0.22 -0.87 0.00 0.00 176.83 176.42 1e4x s LEU 156 N -7.91 6.36 0.00 5.97 2.96 -0.80 -4.86 118.68 120.40 1e4x s LEU 156 Ca -0.04 -2.06 0.00 0.00 -0.22 0.00 0.00 54.13 51.81 1e4x s LEU 156 Cb 0.12 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1e4x s LEU 156 CO 0.80 -0.77 0.00 -0.24 -1.32 0.00 0.00 176.35 174.81 1e4x n SER 157 N 4.87 2.80 -4.71 3.68 2.88 -1.26 -4.19 113.62 117.70 1e4x n SER 157 Ca -0.06 -0.20 -0.33 0.00 -1.33 0.00 0.00 58.87 56.95 1e4x n SER 157 Cb 0.42 0.97 -0.08 0.00 -0.75 0.00 0.00 64.21 64.76 1e4x n SER 157 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1e4x s SER 158 N -1.53 5.29 0.00 -3.46 0.01 -1.26 -4.25 113.70 108.51 1e4x s SER 158 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1e4x s SER 158 Cb 0.00 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1e4x s SER 158 CO 0.00 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1e4x n GLY 159 N 1.47 0.75 3.89 3.44 0.00 -1.26 -4.80 105.19 108.68 1e4x n GLY 159 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.56 5.29 -0.19 1.61 1.01 -1.26 -2.04 120.40 122.25 1e4x s VAL 160 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1e4x s VAL 160 Cb 0.00 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.85 1e4x s VAL 160 CO 0.00 0.30 -0.04 -1.00 0.00 0.00 0.00 175.10 174.35 1e4x s HIS 161 N -1.37 1.82 -0.32 5.22 3.76 0.11 -4.96 115.29 119.54 1e4x s HIS 161 Ca 0.30 -1.25 -0.03 0.00 -0.15 0.00 0.00 55.06 53.93 1e4x s HIS 161 Cb -0.13 -1.36 0.05 0.00 1.11 0.00 0.00 32.58 32.26 1e4x s HIS 161 CO 0.19 -0.66 0.05 0.99 -0.85 0.00 0.00 174.74 174.46 1e4x s THR 162 N 1.59 3.28 0.43 1.30 2.01 -1.26 -0.24 115.64 122.75 1e4x s THR 162 Ca -0.01 -1.37 -0.24 0.00 0.31 0.00 0.00 61.69 60.38 1e4x s THR 162 Cb -0.16 -2.91 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 1e4x s THR 162 CO -0.07 -0.19 1.15 -0.36 -0.69 0.00 0.00 174.62 174.46 1e4x s PHE 163 N 1.29 3.01 0.38 4.92 0.40 -0.64 -5.00 117.98 122.33 1e4x s PHE 163 Ca -0.03 1.56 -0.27 0.00 -0.60 0.00 0.00 56.93 57.59 1e4x s PHE 163 Cb -0.20 -3.35 -0.11 0.00 0.51 0.00 0.00 43.02 39.87 1e4x s PHE 163 CO -0.00 -1.31 1.24 -2.30 0.70 0.00 0.00 175.22 173.55 1e4x n PRO 164 N -0.19 1.94 -2.19 0.24 -0.02 -1.26 -4.43 135.00 129.08 1e4x n PRO 164 Ca 0.06 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 1e4x n PRO 164 Cb 0.48 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.15 2.87 0.02 3.55 0.00 -1.26 -4.83 121.76 120.95 1e4x s ALA 165 Ca 0.58 0.95 0.07 0.00 0.00 0.00 0.00 51.96 53.57 1e4x s ALA 165 Cb -0.55 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 1e4x s ALA 165 CO 0.60 -0.79 -0.22 0.54 0.00 0.00 0.00 175.76 175.89 1e4x s VAL 166 N -1.57 1.76 -0.50 0.00 0.11 -0.61 -4.93 120.40 114.66 1e4x s VAL 166 Ca 0.67 -1.11 -0.21 0.00 -2.93 0.00 0.00 61.98 58.41 1e4x s VAL 166 Cb -0.29 -1.50 0.05 0.00 -1.53 0.00 0.00 36.38 33.11 1e4x s VAL 166 CO 0.34 0.36 0.70 -0.22 -3.33 0.00 0.00 175.10 172.95 1e4x s LEU 167 N -0.88 4.67 -0.24 2.54 2.96 -1.26 -1.67 118.68 124.79 1e4x s LEU 167 Ca 0.09 -0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1e4x s LEU 167 Cb -0.09 -2.60 0.02 0.00 0.50 0.00 0.00 46.19 44.02 1e4x s LEU 167 CO 0.01 -0.93 -0.06 0.00 -1.32 0.00 0.00 176.35 174.04 1e4x s GLN 168 N 2.95 3.01 6.45 1.98 0.00 0.01 -4.91 119.66 129.15 1e4x s GLN 168 Ca 0.20 -0.86 0.00 0.00 -0.00 0.00 0.00 55.36 54.70 1e4x s GLN 168 Cb -0.16 -2.97 0.00 0.00 0.00 0.00 0.00 33.01 29.87 1e4x s GLN 168 CO 0.15 -0.33 0.00 -1.13 0.00 0.00 0.00 175.29 173.98 1e4x n SER 169 N 4.71 0.00 -0.39 12.60 3.41 -1.26 -2.37 113.62 130.32 1e4x n SER 169 Ca -0.17 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.47 1e4x n SER 169 Cb 0.48 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.52 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 7.26 2.48 -4.65 4.04 5.75 -1.26 -5.01 116.55 125.15 1e4x n ASP 170 Ca 0.00 -1.92 -0.24 0.00 -0.01 0.00 0.00 54.79 52.62 1e4x n ASP 170 Cb 0.00 -0.13 -0.08 0.00 -1.03 0.00 0.00 41.12 39.88 1e4x n ASP 170 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1e4x s LEU 171 N -0.95 3.10 0.06 -2.12 1.43 -1.00 -4.85 118.68 114.34 1e4x s LEU 171 Ca 0.14 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1e4x s LEU 171 Cb 0.07 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1e4x s LEU 171 CO 0.10 -0.17 0.11 -0.31 0.23 0.00 0.00 176.35 176.31 1e4x s TYR 172 N -2.44 3.28 -0.04 0.29 2.02 0.47 -0.81 117.35 120.14 1e4x s TYR 172 Ca 0.34 0.14 -0.02 0.00 -0.37 0.00 0.00 57.07 57.16 1e4x s TYR 172 Cb -0.03 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 1e4x s TYR 172 CO 0.20 0.54 0.08 0.99 -1.57 0.00 0.00 175.55 175.80 1e4x s THR 173 N -1.38 -0.03 0.06 -0.71 2.01 -0.67 -1.45 115.64 113.46 1e4x s THR 173 Ca 0.30 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1e4x s THR 173 Cb -0.12 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1e4x s THR 173 CO 0.22 0.05 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.67 1e4x s LEU 174 N 0.66 2.42 0.11 4.42 0.05 0.70 -1.57 118.68 125.47 1e4x s LEU 174 Ca -0.05 -0.85 0.03 0.00 0.05 0.00 0.00 54.13 53.31 1e4x s LEU 174 Cb -0.07 0.06 -0.04 0.00 -2.05 0.00 0.00 46.19 44.09 1e4x s LEU 174 CO -0.03 -0.46 -0.09 -0.94 -0.55 0.00 0.00 176.35 174.29 1e4x s SER 175 N -2.51 1.44 -0.08 1.48 1.04 -1.26 0.14 113.70 113.95 1e4x s SER 175 Ca 0.02 -0.92 -0.07 0.00 0.48 0.00 0.00 55.95 55.46 1e4x s SER 175 Cb 0.02 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.19 1e4x s SER 175 CO -0.06 -0.34 0.21 -0.55 0.98 0.00 0.00 173.24 173.48 1e4x s SER 176 N -2.81 -0.22 0.14 7.02 0.15 -0.60 -1.62 113.70 115.76 1e4x s SER 176 Ca 0.10 0.43 0.10 0.00 0.70 0.00 0.00 55.95 57.29 1e4x s SER 176 Cb 0.01 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1e4x s SER 176 CO -0.01 -0.09 -0.23 -0.94 1.20 0.00 0.00 173.24 173.17 1e4x s SER 177 N 0.38 3.56 -0.01 5.45 1.04 0.67 -1.58 113.70 123.21 1e4x s SER 177 Ca -0.02 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.71 1e4x s SER 177 Cb -0.04 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1e4x s SER 177 CO -0.02 0.16 -0.06 -0.69 0.98 0.00 0.00 173.24 173.62 1e4x s VAL 178 N -1.25 0.51 -0.16 5.02 1.01 -1.12 -0.71 120.40 123.70 1e4x s VAL 178 Ca 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1e4x s VAL 178 Cb -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1e4x s VAL 178 CO 0.09 0.16 -0.19 -0.89 0.00 0.00 0.00 175.10 174.27 1e4x s THR 179 N 0.10 2.28 0.42 3.92 2.01 -0.87 0.06 115.64 123.56 1e4x s THR 179 Ca -0.01 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1e4x s THR 179 Cb -0.05 -1.94 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 1e4x s THR 179 CO -0.00 0.53 0.03 0.68 -0.69 0.00 0.00 174.62 175.17 1e4x s VAL 180 N 0.98 1.51 0.39 3.82 -7.23 0.11 -4.79 120.40 115.18 1e4x s VAL 180 Ca -0.03 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.90 1e4x s VAL 180 Cb -0.15 -2.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.00 1e4x s VAL 180 CO -0.04 0.00 1.03 0.42 -0.31 0.00 0.00 175.10 176.19 1e4x s THR 181 N -2.91 3.84 0.29 5.32 -4.23 -1.26 0.42 115.64 117.10 1e4x s THR 181 Ca 0.27 1.41 0.01 0.00 -1.18 0.00 0.00 61.69 62.21 1e4x s THR 181 Cb 0.07 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.46 1e4x s THR 181 CO 0.13 0.01 1.85 0.28 -0.54 0.00 0.00 174.62 176.36 1e4x h SER 182 N 2.58 0.93 0.40 3.99 0.02 -0.30 -1.93 113.55 119.24 1e4x h SER 182 Ca -0.48 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1e4x h SER 182 Cb 1.21 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1e4x h SER 182 CO 0.63 0.52 -0.29 0.77 -1.14 0.00 0.00 176.83 177.32 1e4x h SER 183 N 1.01 0.00 -0.47 3.07 4.64 -1.91 -2.99 113.55 116.90 1e4x h SER 183 Ca 0.48 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.70 1e4x h SER 183 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1e4x h SER 183 CO -0.24 0.29 -0.10 0.71 -0.87 0.00 0.00 176.83 176.62 1e4x h THR 184 N 0.00 1.27 -4.00 2.95 1.35 -1.72 -3.39 112.91 109.37 1e4x h THR 184 Ca -0.00 -1.21 -0.69 0.00 -0.55 0.00 0.00 66.41 63.95 1e4x h THR 184 Cb 0.56 1.10 -0.30 0.00 -1.73 0.00 0.00 68.15 67.78 1e4x h THR 184 CO 0.04 0.42 -0.86 0.86 -0.25 0.00 0.00 175.52 175.73 1e4x s TRP 185 N -4.83 2.51 0.26 4.73 -0.00 -1.13 0.17 118.94 120.65 1e4x s TRP 185 Ca -0.12 -0.60 0.05 0.00 -0.00 0.00 0.00 56.10 55.42 1e4x s TRP 185 Cb 0.11 -1.62 0.34 0.00 -0.00 0.00 0.00 33.47 32.31 1e4x s TRP 185 CO 0.84 -0.14 1.63 -1.35 -0.00 0.00 0.00 176.95 177.93 1e4x h PRO 186 N 5.97 0.28 -0.17 5.86 0.11 -1.84 -3.44 132.00 138.77 1e4x h PRO 186 Ca -0.34 -0.16 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1e4x h PRO 186 Cb 1.17 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1e4x h PRO 186 CO 0.48 0.71 -0.07 -1.13 -0.21 0.00 0.00 178.00 177.78 1e4x n SER 187 N -3.97 -0.13 -4.72 -2.05 3.41 -1.05 -3.97 113.62 101.14 1e4x n SER 187 Ca -0.02 0.29 -0.36 0.00 -0.26 0.00 0.00 58.87 58.52 1e4x n SER 187 Cb 0.54 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1e4x n SER 187 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1e4x s GLN 188 N -5.14 4.25 0.52 4.33 -0.21 0.44 -5.08 119.66 118.78 1e4x s GLN 188 Ca -0.02 0.07 -0.23 0.00 0.02 0.00 0.00 55.36 55.21 1e4x s GLN 188 Cb 0.03 -3.43 -0.06 0.00 1.00 0.00 0.00 33.01 30.55 1e4x s GLN 188 CO 0.11 0.22 1.36 0.45 -2.12 0.00 0.00 175.29 175.31 1e4x s SER 189 N 0.51 5.47 -0.20 5.90 0.15 -1.25 -4.56 113.70 119.72 1e4x s SER 189 Ca 0.16 2.76 -0.05 0.00 0.70 0.00 0.00 55.95 59.52 1e4x s SER 189 Cb -0.13 -2.64 0.07 0.00 -1.71 0.00 0.00 66.02 61.62 1e4x s SER 189 CO 0.04 -1.43 0.11 -0.63 1.20 0.00 0.00 173.24 172.53 1e4x s ILE 190 N -1.30 -0.10 -0.02 6.45 1.01 -1.26 -4.97 121.20 121.00 1e4x s ILE 190 Ca 0.69 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 61.10 1e4x s ILE 190 Cb -0.40 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1e4x s ILE 190 CO 0.48 -0.39 -0.23 0.42 0.00 0.00 0.00 174.94 175.23 1e4x s THR 191 N 2.15 1.80 -0.16 2.92 -4.23 -1.26 0.01 115.64 116.87 1e4x s THR 191 Ca 0.04 -0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1e4x s THR 191 Cb -0.16 -1.50 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1e4x s THR 191 CO -0.16 0.51 0.10 0.00 -0.54 0.00 0.00 174.62 174.53 1e4x s ASN 193 N -0.22 5.81 -0.15 0.00 -0.87 0.26 -1.03 114.94 118.74 1e4x s ASN 193 Ca 0.10 -0.43 -0.02 0.00 -1.57 0.00 0.00 52.86 50.94 1e4x s ASN 193 Cb -0.12 -2.07 -0.02 0.00 -0.02 0.00 0.00 41.25 39.02 1e4x s ASN 193 CO 0.01 -0.20 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.58 1e4x s VAL 194 N 1.68 3.57 -0.07 1.60 1.01 0.23 -0.45 120.40 127.97 1e4x s VAL 194 Ca 0.06 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1e4x s VAL 194 Cb -0.17 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1e4x s VAL 194 CO 0.09 0.50 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 1e4x s ALA 195 N 0.41 1.67 -0.50 5.51 0.00 0.14 0.09 121.76 129.09 1e4x s ALA 195 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1e4x s ALA 195 Cb -0.15 -0.62 0.14 0.00 0.00 0.00 0.00 23.12 22.50 1e4x s ALA 195 CO 0.04 0.24 0.30 -1.58 0.00 0.00 0.00 175.76 174.76 1e4x s HIS 196 N 0.29 2.42 0.05 0.00 2.46 0.11 -0.35 115.29 120.27 1e4x s HIS 196 Ca -0.11 -2.73 -0.09 0.00 0.47 0.00 0.00 55.06 52.59 1e4x s HIS 196 Cb -0.15 -2.12 -0.02 0.00 -0.13 0.00 0.00 32.58 30.16 1e4x s HIS 196 CO 0.05 -0.73 1.16 -1.00 -2.47 0.00 0.00 174.74 171.75 1e4x h PRO 197 N 6.32 -0.01 -0.88 2.88 0.13 -1.77 -1.37 132.00 137.29 1e4x h PRO 197 Ca 0.04 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.39 1e4x h PRO 197 Cb 0.88 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.85 1e4x h PRO 197 CO 0.56 -0.01 -0.06 0.00 -0.23 0.00 0.00 178.00 178.26 1e4x n ALA 198 N -3.06 0.37 0.42 -0.56 0.00 -1.26 0.32 120.51 116.75 1e4x n ALA 198 Ca 0.00 0.95 0.07 0.00 0.00 0.00 0.00 53.44 54.46 1e4x n ALA 198 Cb 0.08 -0.65 0.21 0.00 0.00 0.00 0.00 19.45 19.09 1e4x n ALA 198 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1e4x n SER 199 N -5.33 2.70 -4.27 0.00 3.41 -0.90 -4.92 113.62 104.31 1e4x n SER 199 Ca 0.19 -2.09 -0.32 0.00 -0.26 0.00 0.00 58.87 56.39 1e4x n SER 199 Cb 0.60 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 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 0.78 0.41 -4.53 4.04 7.64 0.95 -4.93 113.62 117.98 1e4x n SER 200 Ca 0.16 -1.26 -0.31 0.00 1.01 0.00 0.00 58.87 58.46 1e4x n SER 200 Cb 0.46 -1.70 -0.11 0.00 -1.01 0.00 0.00 64.21 61.84 1e4x n SER 200 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1e4x s THR 201 N -4.28 3.21 -0.10 0.44 -1.32 -0.74 -4.98 115.64 107.87 1e4x s THR 201 Ca 0.04 -1.06 -0.04 0.00 -1.21 0.00 0.00 61.69 59.43 1e4x s THR 201 Cb -0.02 -2.40 0.05 0.00 -1.51 0.00 0.00 72.50 68.62 1e4x s THR 201 CO 0.99 0.31 0.19 -0.54 -2.21 0.00 0.00 174.62 173.36 1e4x s LYS 202 N -1.59 0.07 -0.02 7.08 1.02 -1.26 0.05 119.74 125.09 1e4x s LYS 202 Ca 0.17 0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.81 1e4x s LYS 202 Cb -0.11 -0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 37.00 1e4x s LYS 202 CO 0.08 -0.30 -0.11 0.08 -0.92 0.00 0.00 175.35 174.18 1e4x s VAL 203 N 2.31 0.86 -0.21 3.17 1.01 0.11 -4.98 120.40 122.68 1e4x s VAL 203 Ca 0.02 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1e4x s VAL 203 Cb -0.12 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1e4x s VAL 203 CO -0.07 0.25 -0.16 -1.81 0.00 0.00 0.00 175.10 173.32 1e4x s ASP 204 N -0.10 3.63 -0.29 3.32 1.01 -1.26 0.76 116.67 123.74 1e4x s ASP 204 Ca 0.02 -0.89 -0.03 0.00 0.71 0.00 0.00 52.55 52.35 1e4x s ASP 204 Cb -0.06 -1.52 0.04 0.00 1.01 0.00 0.00 42.92 42.39 1e4x s ASP 204 CO -0.00 -0.07 0.01 -0.75 0.21 0.00 0.00 175.17 174.57 1e4x s LYS 205 N 1.24 2.60 0.16 8.23 2.47 -0.19 -4.93 119.74 129.31 1e4x s LYS 205 Ca 0.00 -1.16 -0.30 0.00 -1.56 0.00 0.00 55.97 52.96 1e4x s LYS 205 Cb -0.15 -3.20 -0.07 0.00 -1.46 0.00 0.00 37.83 32.95 1e4x s LYS 205 CO -0.10 -0.56 1.03 0.21 0.16 0.00 0.00 175.35 176.09 1e4x s LYS 206 N 1.31 4.66 -0.32 4.03 2.20 -1.26 -0.38 119.74 129.98 1e4x s LYS 206 Ca -0.03 1.59 -0.12 0.00 -0.36 0.00 0.00 55.97 57.05 1e4x s LYS 206 Cb -0.19 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 1e4x s LYS 206 CO -0.01 0.17 0.22 0.42 -0.36 0.00 0.00 175.35 175.79 1e4x s ILE 207 N -0.23 5.17 0.17 5.43 -1.09 0.10 -4.95 121.20 125.80 1e4x s ILE 207 Ca 0.48 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.74 1e4x s ILE 207 Cb -0.27 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 36.95 1e4x s ILE 207 CO 0.33 0.05 -0.04 -1.83 -1.23 0.00 0.00 174.94 172.21 1e4x s GLU 208 N 1.71 1.13 0.49 2.79 -1.05 -1.26 -4.60 118.70 117.91 1e4x s GLU 208 Ca 0.06 -1.52 -0.20 0.00 -0.15 0.00 0.00 54.97 53.16 1e4x s GLU 208 Cb -0.17 -0.49 -0.08 0.00 -0.44 0.00 0.00 34.13 32.95 1e4x s GLU 208 CO 0.10 -0.03 1.03 -1.25 0.95 0.00 0.00 175.26 176.05 1e4x s PRO 209 N -3.83 3.80 0.00 -4.83 0.05 -1.26 -4.88 135.00 124.05 1e4x s PRO 209 Ca 0.21 1.30 0.00 0.00 0.05 0.00 0.00 61.00 62.57 1e4x s PRO 209 Cb 0.05 -2.10 0.00 0.00 0.05 0.00 0.00 34.50 32.50 1e4x s PRO 209 CO 0.03 -0.42 0.00 2.89 0.05 0.00 0.00 177.00 179.55 1e4x n ARG 210 N -1.06 0.00 0.00 4.56 1.85 -1.26 -5.03 116.66 115.71 1e4x n ARG 210 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 1e4x n ARG 210 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1e4x n ARG 210 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1e4x n VAL 211 N 0.00 0.00 1.49 8.89 3.14 -1.26 -3.02 118.33 127.57 1e4x n VAL 211 Ca 0.00 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.50 1e4x n VAL 211 Cb 0.00 0.00 0.71 0.00 -1.06 0.00 0.00 33.84 33.49 1e4x n VAL 211 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72