#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yej s MET 2 N 0.00 4.44 -0.02 3.49 -1.94 -1.26 -3.88 119.30 120.13 1yej s MET 2 Ca 0.00 1.20 -0.00 0.00 -1.71 0.00 0.00 55.69 55.18 1yej s MET 2 Cb 0.00 -3.51 0.03 0.00 2.01 0.00 0.00 34.83 33.36 1yej s MET 2 CO 0.00 -0.16 0.04 -0.65 -0.01 0.00 0.00 175.02 174.24 1yej s GLN 3 N 1.49 -0.02 -0.20 2.03 -0.21 -0.66 -5.00 119.66 117.09 1yej s GLN 3 Ca 0.45 0.19 0.01 0.00 0.02 0.00 0.00 55.36 56.02 1yej s GLN 3 Cb -0.19 -0.22 0.02 0.00 1.00 0.00 0.00 33.01 33.63 1yej s GLN 3 CO 0.20 -0.15 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.54 1yej s LEU 4 N 0.98 2.48 -0.20 2.90 1.43 -1.26 -0.85 118.68 124.17 1yej s LEU 4 Ca -0.08 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1yej s LEU 4 Cb -0.12 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1yej s LEU 4 CO -0.03 -0.04 -0.17 -1.10 0.23 0.00 0.00 176.35 175.24 1yej s GLN 5 N 1.28 2.93 0.33 1.70 -0.21 0.91 -4.17 119.66 122.44 1yej s GLN 5 Ca 0.03 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 54.54 1yej s GLN 5 Cb -0.14 -2.66 -0.03 0.00 1.00 0.00 0.00 33.01 31.17 1yej s GLN 5 CO -0.10 -0.26 0.53 -0.65 -2.12 0.00 0.00 175.29 172.69 1yej s GLN 6 N 1.29 3.48 0.90 2.91 -0.21 -1.26 -0.71 119.66 126.05 1yej s GLN 6 Ca 0.03 -0.37 -0.11 0.00 0.02 0.00 0.00 55.36 54.93 1yej s GLN 6 Cb -0.14 -2.69 0.13 0.00 1.00 0.00 0.00 33.01 31.31 1yej s GLN 6 CO -0.11 0.18 1.09 -1.54 -2.12 0.00 0.00 175.29 172.79 1yej s SER 7 N -4.00 3.46 0.96 5.90 1.04 -0.98 -4.97 113.70 115.10 1yej s SER 7 Ca 0.39 1.53 -0.12 0.00 0.48 0.00 0.00 55.95 58.23 1yej s SER 7 Cb -0.10 -2.21 0.16 0.00 0.10 0.00 0.00 66.02 63.98 1yej s SER 7 CO 0.35 -2.66 1.09 -0.83 0.98 0.00 0.00 173.24 172.18 1yej s GLY 8 N -3.37 1.59 0.43 7.32 0.00 -1.26 -4.61 107.32 107.42 1yej s GLY 8 Ca 0.63 -0.18 -0.24 0.00 0.00 0.00 0.00 44.72 44.93 1yej s GLY 8 CO 0.57 0.37 1.05 0.00 0.00 0.00 0.00 173.10 175.09 1yej n ALA 9 N -4.07 0.36 -2.86 3.20 0.00 -1.26 -4.74 120.51 111.14 1yej n ALA 9 Ca 0.06 0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 1yej n ALA 9 Cb 0.56 -2.11 -0.16 0.00 0.00 0.00 0.00 19.45 17.73 1yej n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1yej s GLU 10 N -2.07 2.24 -0.24 0.00 0.41 -0.07 -4.99 118.70 113.97 1yej s GLU 10 Ca 0.63 -0.77 -0.06 0.00 -0.41 0.00 0.00 54.97 54.37 1yej s GLU 10 Cb -0.54 -1.89 -0.02 0.00 -1.78 0.00 0.00 34.13 29.89 1yej s GLU 10 CO 0.57 0.30 0.03 -1.17 -0.49 0.00 0.00 175.26 174.50 1yej s LEU 11 N -0.02 3.29 -0.02 1.80 2.96 -1.26 -0.71 118.68 124.72 1yej s LEU 11 Ca -0.05 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1yej s LEU 11 Cb -0.13 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1yej s LEU 11 CO 0.03 -0.04 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.04 1yej s LEU 12 N 1.56 2.04 0.27 -0.68 1.43 0.13 -4.96 118.68 118.47 1yej s LEU 12 Ca 0.06 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1yej s LEU 12 Cb -0.15 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 44.85 1yej s LEU 12 CO 0.01 0.26 0.98 -0.13 0.23 0.00 0.00 176.35 177.70 1yej s ARG 13 N -0.48 4.72 0.33 1.70 1.81 -1.25 -0.08 118.95 125.70 1yej s ARG 13 Ca 0.08 1.51 -0.28 0.00 -1.72 0.00 0.00 55.73 55.32 1yej s ARG 13 Cb -0.09 -3.11 -0.13 0.00 -0.45 0.00 0.00 34.95 31.17 1yej s ARG 13 CO -0.01 0.37 1.26 -2.30 -0.68 0.00 0.00 175.30 173.94 1yej n PRO 14 N 1.14 2.03 -0.06 3.54 -0.02 -1.26 -2.09 135.00 138.27 1yej n PRO 14 Ca -0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1yej n PRO 14 Cb 0.47 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1yej n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yej n GLY 15 N 0.85 2.21 0.13 -1.23 0.00 0.11 -4.90 105.19 102.35 1yej n GLY 15 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 1yej n GLY 15 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yej n THR 16 N -2.00 0.00 -4.17 2.61 -2.24 -0.89 -4.27 114.28 103.32 1yej n THR 16 Ca 0.00 -0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1yej n THR 16 Cb 0.00 -1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 67.10 1yej n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1yej s SER 17 N -1.13 1.01 0.08 3.42 1.04 -1.26 -0.65 113.70 116.21 1yej s SER 17 Ca 0.02 -1.06 0.02 0.00 0.48 0.00 0.00 55.95 55.41 1yej s SER 17 Cb -0.00 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1yej s SER 17 CO 0.01 -0.53 -0.07 0.68 0.98 0.00 0.00 173.24 174.32 1yej s VAL 18 N -3.70 0.64 -0.18 5.02 -7.23 -0.84 -5.00 120.40 109.11 1yej s VAL 18 Ca 0.15 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1yej s VAL 18 Cb 0.06 -1.23 0.03 0.00 0.56 0.00 0.00 36.38 35.79 1yej s VAL 18 CO -0.03 -0.66 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.18 1yej s LYS 19 N -2.86 2.72 -0.00 4.82 2.20 -1.26 -0.95 119.74 124.40 1yej s LYS 19 Ca 0.03 -0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 1yej s LYS 19 Cb -0.01 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 1yej s LYS 19 CO -0.02 -0.26 0.22 -0.51 -0.36 0.00 0.00 175.35 174.42 1yej s LEU 20 N 1.32 4.37 0.19 5.43 1.43 -0.04 -4.94 118.68 126.44 1yej s LEU 20 Ca 0.03 0.44 0.11 0.00 -1.03 0.00 0.00 54.13 53.69 1yej s LEU 20 Cb -0.14 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1yej s LEU 20 CO -0.12 0.26 -0.22 -0.94 0.23 0.00 0.00 176.35 175.56 1yej s SER 21 N -1.83 3.53 -0.33 2.29 1.04 -1.26 -1.30 113.70 115.85 1yej s SER 21 Ca 0.27 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 1yej s SER 21 Cb -0.13 -0.31 0.12 0.00 0.10 0.00 0.00 66.02 65.80 1yej s SER 21 CO 0.17 0.12 0.17 0.00 0.98 0.00 0.00 173.24 174.68 1yej s LYS 23 N 1.52 4.35 0.23 0.00 2.20 0.11 -1.21 119.74 126.93 1yej s LYS 23 Ca 0.14 1.07 0.08 0.00 -0.36 0.00 0.00 55.97 56.89 1yej s LYS 23 Cb -0.20 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1yej s LYS 23 CO -0.17 -0.25 0.05 0.95 -0.36 0.00 0.00 175.35 175.56 1yej s THR 24 N 1.87 3.80 0.20 3.43 -4.23 -0.30 -0.06 115.64 120.34 1yej s THR 24 Ca 0.40 -1.60 -0.19 0.00 -1.18 0.00 0.00 61.69 59.12 1yej s THR 24 Cb -0.17 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.71 1yej s THR 24 CO 0.15 -0.27 0.56 -0.94 -0.54 0.00 0.00 174.62 173.59 1yej s SER 25 N -3.43 -0.33 0.00 3.99 1.04 -0.03 -4.83 113.70 110.11 1yej s SER 25 Ca 0.30 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1yej s SER 25 Cb -0.08 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1yej s SER 25 CO 0.21 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1yej n GLY 26 N -0.36 0.80 3.78 7.32 0.00 -1.25 -1.65 105.19 113.83 1yej n GLY 26 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1yej n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yej s TYR 27 N -3.12 -0.02 -0.71 1.61 1.13 -1.26 -4.48 117.35 110.49 1yej s TYR 27 Ca 0.00 -0.41 -0.27 0.00 -1.41 0.00 0.00 57.07 54.98 1yej s TYR 27 Cb 0.00 0.56 0.02 0.00 -1.10 0.00 0.00 41.96 41.44 1yej s TYR 27 CO 0.00 -1.17 1.38 0.42 -2.51 0.00 0.00 175.55 173.67 1yej s ILE 28 N -3.93 3.67 0.29 -3.49 1.01 -1.26 -4.89 121.20 112.60 1yej s ILE 28 Ca 0.14 0.39 0.05 0.00 0.00 0.00 0.00 60.65 61.23 1yej s ILE 28 Cb -0.04 -4.75 0.29 0.00 0.01 0.00 0.00 42.46 37.97 1yej s ILE 28 CO 0.08 -1.68 1.70 0.15 0.00 0.00 0.00 174.94 175.18 1yej h PHE 29 N 10.85 0.70 0.00 3.97 3.57 -1.97 -2.12 116.94 131.94 1yej h PHE 29 Ca -0.28 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1yej h PHE 29 Cb 1.07 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1yej h PHE 29 CO 1.11 -0.03 0.00 0.25 -2.23 0.00 0.00 178.31 177.41 1yej n THR 30 N -5.02 0.57 0.99 4.41 -2.24 -1.26 -3.55 114.28 108.17 1yej n THR 30 Ca 0.23 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.27 1yej n THR 30 Cb 0.67 -0.80 0.16 0.00 -2.10 0.00 0.00 70.33 68.26 1yej n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1yej n SER 31 N -1.45 2.88 -4.05 3.42 7.64 -0.80 -2.59 113.62 118.67 1yej n SER 31 Ca 0.06 -1.94 -0.15 0.00 1.01 0.00 0.00 58.87 57.84 1yej n SER 31 Cb 0.22 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.26 1yej n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1yej s TYR 32 N -1.95 0.74 0.28 1.43 1.51 -1.23 -5.08 117.35 113.05 1yej s TYR 32 Ca 0.30 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.72 1yej s TYR 32 Cb 0.20 -0.45 -0.10 0.00 -0.11 0.00 0.00 41.96 41.51 1yej s TYR 32 CO 0.31 -0.03 1.16 -1.58 -1.11 0.00 0.00 175.55 174.29 1yej s TRP 33 N -0.90 3.44 -0.16 2.71 0.52 -1.26 -4.36 118.94 118.94 1yej s TRP 33 Ca -0.04 1.60 -0.01 0.00 0.02 0.00 0.00 56.10 57.67 1yej s TRP 33 Cb -0.07 -3.39 -0.01 0.00 -1.15 0.00 0.00 33.47 28.84 1yej s TRP 33 CO 0.00 -0.93 -0.10 0.42 0.02 0.00 0.00 176.95 176.37 1yej s ILE 34 N -1.01 3.22 0.18 2.03 1.01 0.10 -4.03 121.20 122.70 1yej s ILE 34 Ca 0.47 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.60 1yej s ILE 34 Cb -0.34 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1yej s ILE 34 CO 0.43 0.50 0.00 -1.00 0.00 0.00 0.00 174.94 174.87 1yej s HIS 35 N 0.63 2.83 -0.06 3.97 3.76 -0.49 -0.75 115.29 125.18 1yej s HIS 35 Ca -0.06 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.76 1yej s HIS 35 Cb -0.15 -1.36 -0.01 0.00 1.11 0.00 0.00 32.58 32.17 1yej s HIS 35 CO 0.03 0.53 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.63 1yej s TRP 36 N -1.79 2.30 0.03 1.40 0.52 -0.21 -0.99 118.94 120.20 1yej s TRP 36 Ca 0.28 -0.72 0.06 0.00 0.02 0.00 0.00 56.10 55.74 1yej s TRP 36 Cb -0.09 -1.52 -0.02 0.00 -1.15 0.00 0.00 33.47 30.69 1yej s TRP 36 CO 0.19 -0.23 -0.17 0.08 0.02 0.00 0.00 176.95 176.83 1yej s VAL 37 N -0.05 1.37 -0.03 4.03 1.01 0.36 -1.30 120.40 125.79 1yej s VAL 37 Ca -0.06 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.95 1yej s VAL 37 Cb -0.14 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1yej s VAL 37 CO 0.04 0.15 -0.16 -0.75 0.00 0.00 0.00 175.10 174.39 1yej s LYS 38 N -1.01 2.39 -0.11 2.72 2.20 0.53 -0.40 119.74 126.07 1yej s LYS 38 Ca 0.05 -0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 54.88 1yej s LYS 38 Cb -0.08 -2.32 0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1yej s LYS 38 CO 0.01 0.60 -0.02 -1.14 -0.36 0.00 0.00 175.35 174.44 1yej s GLN 39 N -0.87 0.99 0.07 4.03 0.74 -0.30 -0.47 119.66 123.84 1yej s GLN 39 Ca 0.12 -0.13 0.05 0.00 0.05 0.00 0.00 55.36 55.45 1yej s GLN 39 Cb -0.11 -1.40 -0.04 0.00 1.10 0.00 0.00 33.01 32.56 1yej s GLN 39 CO 0.01 -0.34 -0.03 1.03 -0.55 0.00 0.00 175.29 175.41 1yej s ARG 40 N 1.84 2.48 -0.65 1.67 0.52 -0.71 -1.77 118.95 122.32 1yej s ARG 40 Ca 0.04 -0.84 -0.13 0.00 -0.52 0.00 0.00 55.73 54.28 1yej s ARG 40 Cb -0.13 -2.49 0.02 0.00 0.52 0.00 0.00 34.95 32.86 1yej s ARG 40 CO -0.07 0.55 0.25 -1.13 0.02 0.00 0.00 175.30 174.92 1yej n SER 41 N 0.84 -1.36 0.00 0.23 3.41 -1.26 -3.66 113.62 111.82 1yej n SER 41 Ca -0.12 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 1yej n SER 41 Cb 0.52 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1yej n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yej n GLY 42 N -1.60 3.33 3.54 5.00 0.00 -1.26 -4.54 105.19 109.66 1yej n GLY 42 Ca -0.08 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1yej n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yej n GLN 43 N 9.80 0.89 0.00 1.61 6.02 -1.26 -4.45 117.38 129.99 1yej n GLN 43 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1yej n GLN 43 Cb 0.00 -2.98 0.00 0.00 1.02 0.00 0.00 30.24 28.28 1yej n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1yej n GLY 44 N 6.13 -1.81 3.83 1.08 0.00 -1.24 -4.90 105.19 108.28 1yej n GLY 44 Ca 0.43 0.74 -0.36 0.00 0.00 0.00 0.00 46.02 46.83 1yej n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yej s LEU 45 N 0.00 4.37 -0.04 0.99 1.43 -1.26 -1.75 118.68 122.42 1yej s LEU 45 Ca 0.00 1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.27 1yej s LEU 45 Cb 0.00 -3.31 0.01 0.00 0.03 0.00 0.00 46.19 42.92 1yej s LEU 45 CO 0.00 0.11 0.12 -1.61 0.23 0.00 0.00 176.35 175.20 1yej s GLU 46 N -1.83 0.15 -0.17 1.70 2.02 0.38 -4.98 118.70 115.97 1yej s GLU 46 Ca 0.38 0.15 -0.21 0.00 0.02 0.00 0.00 54.97 55.31 1yej s GLU 46 Cb -0.16 0.07 -0.03 0.00 0.10 0.00 0.00 34.13 34.11 1yej s GLU 46 CO 0.20 -0.02 0.64 -0.46 0.02 0.00 0.00 175.26 175.64 1yej s TRP 47 N 0.02 3.41 -0.12 1.61 -0.00 -1.26 -0.35 118.94 122.26 1yej s TRP 47 Ca -0.00 0.99 -0.08 0.00 -0.00 0.00 0.00 56.10 57.00 1yej s TRP 47 Cb -0.01 -2.79 -0.03 0.00 -0.00 0.00 0.00 33.47 30.64 1yej s TRP 47 CO 0.00 -0.12 -0.16 -0.89 -0.00 0.00 0.00 176.95 175.78 1yej n ILE 48 N 4.50 1.15 -3.73 5.86 5.41 -0.42 -4.70 119.36 127.42 1yej n ILE 48 Ca -0.01 0.27 -0.01 0.00 1.00 0.00 0.00 62.75 63.99 1yej n ILE 48 Cb 0.50 -2.21 -0.00 0.00 -0.71 0.00 0.00 39.64 37.21 1yej n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yej s ALA 49 N -2.80 -1.92 0.03 -1.39 0.00 -1.22 -0.78 121.76 113.67 1yej s ALA 49 Ca -0.13 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1yej s ALA 49 Cb 0.02 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 1yej s ALA 49 CO 0.20 -1.06 -0.05 -0.98 0.00 0.00 0.00 175.76 173.87 1yej s ARG 50 N -2.73 0.40 0.02 0.00 1.70 -0.77 -1.05 118.95 116.52 1yej s ARG 50 Ca 0.15 -0.67 0.02 0.00 -0.47 0.00 0.00 55.73 54.76 1yej s ARG 50 Cb 0.01 -0.04 -0.01 0.00 -0.57 0.00 0.00 34.95 34.33 1yej s ARG 50 CO 0.00 -0.01 -0.07 -1.50 -1.08 0.00 0.00 175.30 172.64 1yej s ILE 51 N -1.46 0.56 -0.45 4.99 2.07 0.07 -1.81 121.20 125.16 1yej s ILE 51 Ca -0.13 -0.65 -0.09 0.00 -1.41 0.00 0.00 60.65 58.37 1yej s ILE 51 Cb -0.10 -0.54 0.11 0.00 0.13 0.00 0.00 42.46 42.06 1yej s ILE 51 CO -0.01 -0.08 0.31 -0.47 -1.91 0.00 0.00 174.94 172.78 1yej s TYR 52 N -0.70 3.42 0.49 3.50 5.04 0.15 -0.72 117.35 128.53 1yej s TYR 52 Ca -0.03 -1.84 0.24 0.00 -2.44 0.00 0.00 57.07 53.00 1yej s TYR 52 Cb -0.06 -3.34 1.30 0.00 0.35 0.00 0.00 41.96 40.21 1yej s TYR 52 CO 0.00 -0.96 1.93 -1.35 -1.34 0.00 0.00 175.55 173.84 1yej h PRO 52 N 8.40 0.15 -0.81 4.97 0.11 -1.80 0.31 132.00 143.32 1yej h PRO 52 Ca -0.21 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.94 1yej h PRO 52 Cb 1.07 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 1yej h PRO 52 CO 0.82 0.10 0.53 0.78 -0.21 0.00 0.00 178.00 180.02 1yej h GLY 53 N 0.15 1.14 0.00 -0.55 0.00 -1.77 -3.30 103.07 98.75 1yej h GLY 53 Ca 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1yej h GLY 53 CO -0.05 0.31 -1.06 -1.30 0.00 0.00 0.00 176.54 174.44 1yej n THR 54 N -4.46 0.00 -0.61 4.70 -2.24 -0.79 -5.00 114.28 105.87 1yej n THR 54 Ca 0.11 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1yej n THR 54 Cb 0.15 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1yej n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yej n GLY 55 N 2.17 0.74 3.71 3.38 0.00 0.10 -5.02 105.19 110.27 1yej n GLY 55 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1yej n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yej s SER 56 N -2.43 6.79 0.16 1.61 0.15 -1.21 -4.79 113.70 113.99 1yej s SER 56 Ca 0.00 2.33 0.06 0.00 0.70 0.00 0.00 55.95 59.03 1yej s SER 56 Cb 0.00 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1yej s SER 56 CO 0.00 -0.69 -0.12 0.42 1.20 0.00 0.00 173.24 174.05 1yej s THR 57 N 1.43 1.35 -0.03 6.45 -4.23 -1.26 -0.67 115.64 118.67 1yej s THR 57 Ca 0.66 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1yej s THR 57 Cb -0.37 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 71.66 1yej s THR 57 CO 0.30 -0.65 0.07 -0.31 -0.54 0.00 0.00 174.62 173.49 1yej s TYR 58 N -3.01 -0.04 0.09 3.99 1.51 -0.75 -5.00 117.35 114.13 1yej s TYR 58 Ca 0.17 0.24 0.10 0.00 -1.01 0.00 0.00 57.07 56.56 1yej s TYR 58 Cb 0.00 -0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1yej s TYR 58 CO 0.03 -0.11 -0.24 0.71 -1.11 0.00 0.00 175.55 174.83 1yej s TYR 59 N 1.00 2.39 0.10 2.71 1.51 -1.26 -1.85 117.35 121.96 1yej s TYR 59 Ca -0.08 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.32 1yej s TYR 59 Cb -0.11 -1.34 -0.07 0.00 -0.11 0.00 0.00 41.96 40.33 1yej s TYR 59 CO -0.04 0.27 1.27 1.21 -1.11 0.00 0.00 175.55 177.16 1yej s ASN 60 N -1.74 6.98 0.27 2.29 3.84 0.04 -4.91 114.94 121.71 1yej s ASN 60 Ca 0.14 2.17 -0.03 0.00 0.21 0.00 0.00 52.86 55.35 1yej s ASN 60 Cb -0.10 -2.59 0.56 0.00 -0.55 0.00 0.00 41.25 38.57 1yej s ASN 60 CO 0.05 -0.53 1.63 -0.08 -2.79 0.00 0.00 177.10 175.38 1yej h GLU 61 N 6.56 0.12 -1.02 0.43 4.57 -1.95 0.24 114.58 123.53 1yej h GLU 61 Ca -0.42 -0.01 0.26 0.00 -1.18 0.00 0.00 59.36 58.01 1yej h GLU 61 Cb 1.21 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.70 1yej h GLU 61 CO 0.82 0.08 0.67 0.87 -1.18 0.00 0.00 179.01 180.27 1yej h LYS 62 N 0.12 0.33 -0.22 1.92 1.57 -1.95 -2.12 116.57 116.22 1yej h LYS 62 Ca 0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1yej h LYS 62 Cb 0.91 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1yej h LYS 62 CO -0.70 0.22 0.00 1.19 -0.57 0.00 0.00 179.45 179.58 1yej n PHE 63 N -4.54 0.27 -1.98 -1.35 3.72 0.07 -4.81 117.46 108.83 1yej n PHE 63 Ca 0.24 -0.13 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 1yej n PHE 63 Cb 0.87 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.39 1yej n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1yej s LYS 64 N -1.73 4.21 0.00 -1.08 1.02 -0.80 -0.72 119.74 120.64 1yej s LYS 64 Ca 0.34 2.26 0.00 0.00 0.02 0.00 0.00 55.97 58.59 1yej s LYS 64 Cb 0.21 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1yej s LYS 64 CO 0.31 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 1yej n GLY 65 N 3.96 3.35 0.12 -3.33 0.00 -1.26 -4.81 105.19 103.22 1yej n GLY 65 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1yej n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yej n LYS 66 N -1.93 0.62 -4.74 1.61 3.00 0.11 -4.67 118.16 112.16 1yej n LYS 66 Ca 0.00 0.37 -0.33 0.00 -0.00 0.00 0.00 58.31 58.35 1yej n LYS 66 Cb 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 35.03 33.27 1yej n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yej s ALA 67 N -2.46 2.80 -0.09 3.14 0.00 -0.25 -1.21 121.76 123.68 1yej s ALA 67 Ca -0.31 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1yej s ALA 67 Cb 0.09 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.18 1yej s ALA 67 CO 0.60 0.57 -0.04 0.99 0.00 0.00 0.00 175.76 177.88 1yej s THR 68 N -0.80 0.72 -0.10 0.00 2.01 -0.42 -4.80 115.64 112.25 1yej s THR 68 Ca 0.13 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 1yej s THR 68 Cb -0.11 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1yej s THR 68 CO 0.02 0.32 0.13 -0.76 -0.69 0.00 0.00 174.62 173.63 1yej s LEU 69 N 1.82 4.28 0.20 4.42 1.43 -1.26 -0.85 118.68 128.73 1yej s LEU 69 Ca 0.05 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1yej s LEU 69 Cb -0.12 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1yej s LEU 69 CO -0.07 0.38 0.21 0.42 0.23 0.00 0.00 176.35 177.52 1yej s THR 70 N -1.06 0.02 -0.19 5.49 -4.23 -0.91 -5.01 115.64 109.75 1yej s THR 70 Ca 0.17 -1.80 -0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1yej s THR 70 Cb -0.12 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.47 1yej s THR 70 CO 0.06 -0.09 0.47 0.00 -0.54 0.00 0.00 174.62 174.52 1yej s ALA 71 N -4.10 -1.23 -0.49 3.99 0.00 -1.26 -0.61 121.76 118.06 1yej s ALA 71 Ca 0.31 1.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.81 1yej s ALA 71 Cb 0.05 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.22 1yej s ALA 71 CO 0.09 -0.29 0.46 0.34 0.00 0.00 0.00 175.76 176.37 1yej s ASP 72 N 1.37 6.17 0.29 0.00 2.15 0.21 -4.94 116.67 121.92 1yej s ASP 72 Ca -0.09 -1.27 -0.01 0.00 0.43 0.00 0.00 52.55 51.61 1yej s ASP 72 Cb -0.07 -2.21 0.42 0.00 -0.30 0.00 0.00 42.92 40.76 1yej s ASP 72 CO -0.13 -0.73 1.87 0.11 -0.17 0.00 0.00 175.17 176.11 1yej h LYS 73 N 8.83 0.88 0.00 4.34 1.57 -1.90 0.18 116.57 130.47 1yej h LYS 73 Ca -0.28 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1yej h LYS 73 Cb 1.11 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1yej h LYS 73 CO 0.92 0.73 -0.07 0.66 -0.57 0.00 0.00 179.45 181.12 1yej h SER 74 N 0.86 0.00 -0.01 0.86 4.64 -1.96 -2.94 113.55 115.01 1yej h SER 74 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1yej h SER 74 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1yej h SER 74 CO -0.02 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 174.47 1yej n SER 75 N -3.48 1.28 -3.39 4.97 3.41 -0.91 -5.00 113.62 110.49 1yej n SER 75 Ca -0.02 -1.23 -0.25 0.00 -0.26 0.00 0.00 58.87 57.11 1yej n SER 75 Cb 0.19 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1yej n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yej n SER 76 N -0.04 -5.41 -4.27 4.04 7.64 0.59 -4.73 113.62 111.43 1yej n SER 76 Ca 0.01 -0.46 -0.32 0.00 1.01 0.00 0.00 58.87 59.11 1yej n SER 76 Cb 0.07 -4.35 -0.16 0.00 -1.01 0.00 0.00 64.21 58.76 1yej n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1yej s THR 77 N -3.18 2.26 0.03 0.44 2.01 -0.95 -1.15 115.64 115.10 1yej s THR 77 Ca 0.46 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1yej s THR 77 Cb -0.22 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1yej s THR 77 CO 0.56 0.56 0.11 0.00 -0.69 0.00 0.00 174.62 175.16 1yej s ALA 78 N 0.15 3.68 0.14 7.40 0.00 -0.35 0.66 121.76 133.44 1yej s ALA 78 Ca -0.12 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.00 1yej s ALA 78 Cb -0.16 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1yej s ALA 78 CO 0.07 0.73 -0.12 0.71 0.00 0.00 0.00 175.76 177.15 1yej s TYR 79 N -1.31 1.35 -0.11 0.00 2.02 0.21 -0.54 117.35 118.98 1yej s TYR 79 Ca 0.27 -0.65 -0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1yej s TYR 79 Cb -0.12 -0.69 0.05 0.00 -0.40 0.00 0.00 41.96 40.80 1yej s TYR 79 CO 0.19 0.13 0.10 1.41 -1.57 0.00 0.00 175.55 175.81 1yej s MET 80 N -3.23 0.01 -0.12 -0.62 -2.45 -0.42 -2.14 119.30 110.34 1yej s MET 80 Ca 0.13 0.20 -0.12 0.00 -1.25 0.00 0.00 55.69 54.66 1yej s MET 80 Cb -0.01 -1.08 -0.05 0.00 1.25 0.00 0.00 34.83 34.94 1yej s MET 80 CO 0.02 -0.49 0.26 -1.14 1.05 0.00 0.00 175.02 174.72 1yej s GLN 81 N 2.19 3.95 -0.15 4.11 0.74 -0.03 -0.86 119.66 129.61 1yej s GLN 81 Ca 0.04 0.07 -0.01 0.00 0.05 0.00 0.00 55.36 55.51 1yej s GLN 81 Cb -0.14 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 1yej s GLN 81 CO -0.07 0.49 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.56 1yej s LEU 82 N -0.30 2.85 0.12 3.68 1.43 -0.12 -1.31 118.68 125.03 1yej s LEU 82 Ca 0.17 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1yej s LEU 82 Cb -0.13 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1yej s LEU 82 CO 0.05 0.15 0.15 -0.44 0.23 0.00 0.00 176.35 176.49 1yej s SER 82 N 0.47 5.73 -0.91 2.29 0.01 -0.35 -1.99 113.70 118.95 1yej s SER 82 Ca -0.08 0.00 -0.08 0.00 1.31 0.00 0.00 55.95 57.11 1yej s SER 82 Cb -0.15 -1.58 0.01 0.00 0.21 0.00 0.00 66.02 64.51 1yej s SER 82 CO 0.04 0.11 0.61 0.41 0.41 0.00 0.00 173.24 174.83 1yej n THR 82 N -0.02 -3.07 -1.91 1.44 -1.04 -0.93 -4.83 114.28 103.92 1yej n THR 82 Ca -0.08 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.05 61.39 1yej n THR 82 Cb 0.53 -2.71 -0.01 0.00 -1.82 0.00 0.00 70.33 66.32 1yej n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1yej s LEU 82 N -5.52 4.36 0.37 -4.42 1.43 0.18 -4.61 118.68 110.46 1yej s LEU 82 Ca 0.11 2.88 0.04 0.00 -1.03 0.00 0.00 54.13 56.13 1yej s LEU 82 Cb -0.06 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1yej s LEU 82 CO 0.91 -0.77 0.16 -0.54 0.23 0.00 0.00 176.35 176.35 1yej s LYS 83 N -1.49 1.83 0.22 1.70 1.02 -1.26 0.04 119.74 121.80 1yej s LYS 83 Ca 0.54 -2.09 -0.10 0.00 0.02 0.00 0.00 55.97 54.34 1yej s LYS 83 Cb -0.44 -0.36 0.33 0.00 -0.52 0.00 0.00 37.83 36.84 1yej s LYS 83 CO 0.55 -0.50 1.65 0.77 -0.92 0.00 0.00 175.35 176.90 1yej h SER 84 N 1.94 -0.32 0.19 2.83 0.02 -1.96 -0.39 113.55 115.85 1yej h SER 84 Ca -0.33 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1yej h SER 84 Cb 1.26 0.30 0.00 0.00 0.14 0.00 0.00 62.40 64.10 1yej h SER 84 CO 0.52 -0.14 0.00 -0.62 -1.14 0.00 0.00 176.83 175.45 1yej n GLU 85 N -5.31 0.09 0.02 3.45 4.71 -1.26 -2.09 120.64 120.25 1yej n GLU 85 Ca 0.10 0.51 0.13 0.00 -0.01 0.00 0.00 57.16 57.89 1yej n GLU 85 Cb 0.38 -1.74 0.40 0.00 -1.01 0.00 0.00 31.44 29.47 1yej n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1yej n ASP 86 N -1.92 0.39 -4.63 1.62 8.00 -0.16 -4.76 116.55 115.10 1yej n ASP 86 Ca 0.00 0.21 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 1yej n ASP 86 Cb 0.07 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1yej n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1yej s SER 87 N -3.42 6.51 0.07 -2.24 0.01 -0.89 -4.82 113.70 108.92 1yej s SER 87 Ca 0.11 1.54 -0.26 0.00 1.31 0.00 0.00 55.95 58.65 1yej s SER 87 Cb 0.17 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.95 1yej s SER 87 CO 0.63 -1.16 1.18 0.00 0.41 0.00 0.00 173.24 174.30 1yej s ALA 88 N 4.81 -2.10 -0.14 1.44 0.00 -0.93 -4.87 121.76 119.96 1yej s ALA 88 Ca 0.66 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 1yej s ALA 88 Cb -0.23 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1yej s ALA 88 CO 0.27 -1.12 0.07 0.08 0.00 0.00 0.00 175.76 175.06 1yej s VAL 89 N -2.06 4.88 -0.11 0.00 1.01 -0.73 -0.71 120.40 122.69 1yej s VAL 89 Ca 0.27 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1yej s VAL 89 Cb -0.01 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1yej s VAL 89 CO 0.02 0.54 -0.18 -0.31 0.00 0.00 0.00 175.10 175.17 1yej s TYR 90 N -0.35 2.69 0.03 5.22 1.51 0.23 -1.15 117.35 125.53 1yej s TYR 90 Ca 0.09 -0.74 0.06 0.00 -1.01 0.00 0.00 57.07 55.48 1yej s TYR 90 Cb -0.12 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1yej s TYR 90 CO 0.02 -0.24 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.00 1yej s PHE 91 N 0.21 2.63 0.11 2.71 0.08 0.46 -1.33 117.98 122.85 1yej s PHE 91 Ca -0.11 -0.21 0.06 0.00 0.12 0.00 0.00 56.93 56.79 1yej s PHE 91 Cb -0.16 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1yej s PHE 91 CO 0.06 0.28 -0.04 0.00 -0.10 0.00 0.00 175.22 175.42 1yej s THR 93 N -1.33 -0.00 -1.14 0.00 -1.32 -0.16 -1.42 115.64 110.27 1yej s THR 93 Ca 0.24 0.01 -0.14 0.00 -1.21 0.00 0.00 61.69 60.59 1yej s THR 93 Cb -0.11 -0.63 0.17 0.00 -1.51 0.00 0.00 72.50 70.42 1yej s THR 93 CO 0.17 0.00 1.33 -0.60 -2.21 0.00 0.00 174.62 173.32 1yej s ARG 94 N 0.41 4.00 0.28 7.08 3.52 0.03 -1.39 118.95 132.88 1yej s ARG 94 Ca -0.01 -2.47 0.01 0.00 -0.13 0.00 0.00 55.73 53.13 1yej s ARG 94 Cb -0.04 -4.98 0.68 0.00 -1.56 0.00 0.00 34.95 29.05 1yej s ARG 94 CO -0.01 -1.71 1.67 2.35 -0.81 0.00 0.00 175.30 176.78 1yej h TRP 95 N 7.45 0.44 0.00 5.12 2.91 -1.80 -2.58 115.95 127.49 1yej h TRP 95 Ca 0.27 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.34 1yej h TRP 95 Cb 0.91 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.50 1yej h TRP 95 CO 1.09 -0.13 0.00 0.41 -1.03 0.00 0.00 178.44 178.77 1yej n GLY 96 N -1.36 0.18 3.71 2.65 0.00 -1.26 -3.86 105.19 105.24 1yej n GLY 96 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1yej n GLY 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1yej s PHE 97 N -2.00 3.13 -0.49 1.61 5.36 -1.26 -0.44 117.98 123.89 1yej s PHE 97 Ca 0.00 0.93 -0.04 0.00 -0.96 0.00 0.00 56.93 56.86 1yej s PHE 97 Cb 0.00 -3.66 0.13 0.00 -0.34 0.00 0.00 43.02 39.15 1yej s PHE 97 CO 0.00 -2.33 0.31 0.42 -1.46 0.00 0.00 175.22 172.16 1yej s ILE 98 N 1.52 3.62 0.25 3.12 -1.09 0.57 -4.83 121.20 124.36 1yej s ILE 98 Ca 0.64 -2.28 -0.04 0.00 -2.23 0.00 0.00 60.65 56.74 1yej s ILE 98 Cb -0.35 -3.42 0.26 0.00 -1.58 0.00 0.00 42.46 37.37 1yej s ILE 98 CO 0.29 -0.77 1.67 -0.65 -1.23 0.00 0.00 174.94 174.25 1yej h PRO 99 N 7.82 0.22 -0.14 2.79 0.11 -1.93 0.10 132.00 140.96 1yej h PRO 99 Ca -0.11 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 1yej h PRO 99 Cb 1.02 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1yej h PRO 99 CO 0.73 0.14 -0.08 -0.24 -0.21 0.00 0.00 178.00 178.34 1yej h VAL 100 N 0.22 1.15 0.00 3.15 3.04 -1.94 -2.30 116.25 119.57 1yej h VAL 100 Ca 0.44 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1yej h VAL 100 Cb 0.80 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1yej h VAL 100 CO -0.57 0.20 -0.76 0.54 -1.01 0.00 0.00 177.57 175.96 1yej n ARG 100 N -4.33 0.21 -2.36 4.17 5.12 -0.47 -4.93 116.66 114.07 1yej n ARG 100 Ca -0.01 0.03 -0.20 0.00 -1.93 0.00 0.00 57.85 55.74 1yej n ARG 100 Cb 0.22 -1.60 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 1yej n ARG 100 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1yej n GLU 100 N -1.89 -1.72 -4.10 5.56 -0.58 -0.10 -4.93 120.64 112.88 1yej n GLU 100 Ca 0.03 0.99 -0.13 0.00 -0.42 0.00 0.00 57.16 57.64 1yej n GLU 100 Cb 0.41 -5.64 -0.06 0.00 -0.57 0.00 0.00 31.44 25.58 1yej n GLU 100 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1yej s ASP 100 N -2.08 0.49 0.07 1.62 -1.08 -1.18 -5.01 116.67 109.49 1yej s ASP 100 Ca 0.00 -1.31 0.09 0.00 -0.52 0.00 0.00 52.55 50.81 1yej s ASP 100 Cb 0.00 0.57 -0.03 0.00 -1.46 0.00 0.00 42.92 42.00 1yej s ASP 100 CO 0.00 -1.14 -0.25 -0.31 0.52 0.00 0.00 175.17 173.99 1yej s TYR 100 N -3.61 2.21 0.52 -5.34 1.51 -1.26 -0.31 117.35 111.07 1yej s TYR 100 Ca 0.30 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 56.04 1yej s TYR 100 Cb 0.01 -1.28 0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1yej s TYR 100 CO 0.16 0.19 0.55 0.14 -1.11 0.00 0.00 175.55 175.48 1yej s VAL 100 N -0.90 2.13 0.32 0.71 -7.23 0.42 -4.97 120.40 110.88 1yej s VAL 100 Ca 0.11 -1.25 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 1yej s VAL 100 Cb -0.10 -2.37 -0.11 0.00 0.56 0.00 0.00 36.38 34.35 1yej s VAL 100 CO 0.03 0.00 1.58 0.80 -0.31 0.00 0.00 175.10 177.20 1yej n MET 100 N -1.90 2.72 -3.11 4.82 1.56 -1.26 -4.47 117.12 115.47 1yej n MET 100 Ca 0.06 0.96 -0.39 0.00 -0.27 0.00 0.00 57.70 58.07 1yej n MET 100 Cb 0.62 -2.74 -0.06 0.00 2.15 0.00 0.00 33.22 33.20 1yej n MET 100 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 1yej s ASP 101 N 0.35 7.17 -0.02 6.12 -4.77 -1.25 -4.52 116.67 119.75 1yej s ASP 101 Ca 0.61 1.39 0.06 0.00 -3.30 0.00 0.00 52.55 51.31 1yej s ASP 101 Cb -0.49 -2.42 -0.01 0.00 -1.09 0.00 0.00 42.92 38.91 1yej s ASP 101 CO 0.52 0.17 -0.19 -0.31 0.70 0.00 0.00 175.17 176.06 1yej s TYR 102 N -0.71 1.74 0.11 2.11 2.02 -0.97 -4.99 117.35 116.66 1yej s TYR 102 Ca 0.33 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 56.76 1yej s TYR 102 Cb -0.21 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1yej s TYR 102 CO 0.22 -0.06 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.33 1yej s TRP 103 N -0.35 1.99 0.89 2.71 0.52 -1.26 -0.79 118.94 122.64 1yej s TRP 103 Ca 0.05 -0.40 -0.13 0.00 0.02 0.00 0.00 56.10 55.64 1yej s TRP 103 Cb -0.08 -1.08 0.13 0.00 -1.15 0.00 0.00 33.47 31.28 1yej s TRP 103 CO -0.00 0.26 1.18 0.20 0.02 0.00 0.00 176.95 178.61 1yej s GLY 104 N -1.99 1.61 0.10 0.98 0.00 -0.51 -4.60 107.32 102.91 1yej s GLY 104 Ca 0.10 -0.69 0.26 0.00 0.00 0.00 0.00 44.72 44.38 1yej s GLY 104 CO 0.05 -0.12 1.81 0.61 0.00 0.00 0.00 173.10 175.45 1yej n GLN 105 N -3.61 0.11 0.00 2.90 0.00 -1.26 -4.77 117.38 110.75 1yej n GLN 105 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 57.00 57.22 1yej n GLN 105 Cb 0.60 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.20 1yej n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yej n GLY 106 N 1.15 1.86 2.96 2.61 0.00 -1.26 -5.04 105.19 107.47 1yej n GLY 106 Ca 0.06 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 1yej n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yej s THR 107 N -1.90 1.20 -0.08 2.61 2.01 -0.44 -4.86 115.64 114.18 1yej s THR 107 Ca 0.00 -0.42 -0.21 0.00 0.31 0.00 0.00 61.69 61.37 1yej s THR 107 Cb 0.00 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1yej s THR 107 CO 0.00 0.39 0.60 -0.22 -0.69 0.00 0.00 174.62 174.71 1yej s LEU 108 N 1.46 4.31 -0.12 4.42 2.96 -1.26 -0.60 118.68 129.85 1yej s LEU 108 Ca 0.01 1.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 1yej s LEU 108 Cb -0.13 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.64 1yej s LEU 108 CO -0.07 -0.05 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.01 1yej s VAL 109 N 0.63 2.24 -0.22 1.68 1.01 0.11 -0.89 120.40 124.97 1yej s VAL 109 Ca 0.32 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1yej s VAL 109 Cb -0.17 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1yej s VAL 109 CO 0.15 0.55 -0.10 -0.89 0.00 0.00 0.00 175.10 174.80 1yej s THR 110 N 0.54 2.69 -0.41 3.92 2.01 0.11 -2.20 115.64 122.30 1yej s THR 110 Ca -0.13 -0.91 -0.18 0.00 0.31 0.00 0.00 61.69 60.78 1yej s THR 110 Cb -0.17 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.08 1yej s THR 110 CO 0.04 0.35 0.51 -0.69 -0.69 0.00 0.00 174.62 174.14 1yej s VAL 111 N 1.34 5.00 0.03 3.82 1.01 -1.26 0.18 120.40 130.52 1yej s VAL 111 Ca 0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 1yej s VAL 111 Cb -0.15 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.24 1yej s VAL 111 CO -0.07 -0.42 0.68 -0.55 0.00 0.00 0.00 175.10 174.75 1yej s SER 112 N 1.85 -0.58 0.00 3.32 0.15 0.89 -4.89 113.70 114.44 1yej s SER 112 Ca 0.16 0.36 0.23 0.00 0.70 0.00 0.00 55.95 57.40 1yej s SER 112 Cb -0.16 0.54 0.24 0.00 -1.71 0.00 0.00 66.02 64.93 1yej s SER 112 CO 0.15 -0.74 1.26 -1.54 1.20 0.00 0.00 173.24 173.58 1yej n SER 113 N 0.30 3.03 -4.75 5.45 3.41 -1.26 -3.81 113.62 115.99 1yej n SER 113 Ca -0.17 -1.95 -0.36 0.00 -0.26 0.00 0.00 58.87 56.13 1yej n SER 113 Cb 0.61 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.53 1yej n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yej s ALA 114 N -1.77 2.53 0.44 7.33 0.00 -1.26 -5.01 121.76 124.02 1yej s ALA 114 Ca 0.29 1.02 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 1yej s ALA 114 Cb 0.20 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1yej s ALA 114 CO 0.29 -1.20 1.01 0.21 0.00 0.00 0.00 175.76 176.07 1yej s LYS 115 N -3.34 4.07 -0.09 0.00 2.20 -1.26 -5.01 119.74 116.30 1yej s LYS 115 Ca 0.78 1.33 -0.30 0.00 -0.36 0.00 0.00 55.97 57.43 1yej s LYS 115 Cb -0.31 -2.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.70 1yej s LYS 115 CO 0.34 -0.20 1.18 0.99 -0.36 0.00 0.00 175.35 177.30 1yej s THR 116 N -1.92 4.36 -0.08 3.43 2.01 -1.26 -4.73 115.64 117.45 1yej s THR 116 Ca 0.62 1.66 0.04 0.00 0.31 0.00 0.00 61.69 64.32 1yej s THR 116 Cb -0.16 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1yej s THR 116 CO 0.20 -0.04 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.00 1yej s THR 117 N 2.47 1.74 0.34 -0.82 2.01 0.97 -4.95 115.64 117.40 1yej s THR 117 Ca 0.54 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 1yej s THR 117 Cb -0.23 -1.51 -0.09 0.00 0.01 0.00 0.00 72.50 70.68 1yej s THR 117 CO 0.19 0.49 1.09 0.00 -0.69 0.00 0.00 174.62 175.70 1yej s ALA 118 N 0.29 3.26 0.58 7.40 0.00 -1.26 -1.71 121.76 130.32 1yej s ALA 118 Ca -0.13 0.83 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1yej s ALA 118 Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1yej s ALA 118 CO 0.06 -0.23 0.98 -1.25 0.00 0.00 0.00 175.76 175.32 1yej s PRO 119 N -1.94 3.61 -0.19 0.00 0.04 -1.26 -4.47 135.00 130.79 1yej s PRO 119 Ca 0.51 0.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.14 1yej s PRO 119 Cb -0.28 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1yej s PRO 119 CO 0.36 -0.47 0.01 -1.12 0.04 0.00 0.00 177.00 175.81 1yej s SER 120 N -4.09 5.04 -0.22 6.66 0.01 -0.06 -4.94 113.70 116.10 1yej s SER 120 Ca 0.54 -0.12 -0.07 0.00 1.31 0.00 0.00 55.95 57.61 1yej s SER 120 Cb -0.11 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 1yej s SER 120 CO 0.51 0.11 0.05 -0.69 0.41 0.00 0.00 173.24 173.63 1yej s VAL 121 N 0.74 4.35 -0.10 3.43 1.01 -1.26 -1.10 120.40 127.47 1yej s VAL 121 Ca 0.01 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1yej s VAL 121 Cb -0.14 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1yej s VAL 121 CO 0.02 0.39 -0.22 -0.31 0.00 0.00 0.00 175.10 174.98 1yej s TYR 122 N 1.13 2.39 0.28 5.22 2.02 0.10 -4.98 117.35 123.52 1yej s TYR 122 Ca 0.04 -0.98 -0.28 0.00 -0.37 0.00 0.00 57.07 55.47 1yej s TYR 122 Cb -0.14 -1.62 -0.09 0.00 -0.40 0.00 0.00 41.96 39.71 1yej s TYR 122 CO 0.03 -0.41 0.95 -1.25 -1.57 0.00 0.00 175.55 173.31 1yej s PRO 123 N 0.41 4.71 -0.44 -1.71 0.04 -1.26 -0.49 135.00 136.27 1yej s PRO 123 Ca -0.18 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.32 1yej s PRO 123 Cb -0.18 -3.05 0.12 0.00 0.04 0.00 0.00 34.50 31.43 1yej s PRO 123 CO 0.08 0.38 0.18 -0.51 0.04 0.00 0.00 177.00 177.17 1yej s LEU 124 N -1.60 4.77 0.03 -3.56 1.43 0.04 -4.90 118.68 114.88 1yej s LEU 124 Ca 0.45 -2.47 -0.16 0.00 -1.03 0.00 0.00 54.13 50.92 1yej s LEU 124 Cb -0.23 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 1yej s LEU 124 CO 0.29 -0.36 0.46 0.00 0.23 0.00 0.00 176.35 176.97 1yej s ALA 125 N 0.48 3.66 1.04 4.21 0.00 -1.26 -1.39 121.76 128.49 1yej s ALA 125 Ca 0.13 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 1yej s ALA 125 Cb -0.22 -2.47 0.12 0.00 0.00 0.00 0.00 23.12 20.56 1yej s ALA 125 CO -0.04 0.46 0.62 -0.35 0.00 0.00 0.00 175.76 176.44 1yej n PRO 126 N 1.75 -1.08 0.00 0.00 -0.04 -1.26 -4.96 135.00 129.42 1yej n PRO 126 Ca -0.13 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1yej n PRO 126 Cb 0.52 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 1yej n PRO 126 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1yej n VAL 127 N -3.14 0.00 -0.00 0.52 3.14 -1.26 -4.87 118.33 112.71 1yej n VAL 127 Ca 0.08 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1yej n VAL 127 Cb 0.29 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.06 1yej n VAL 127 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yej n GLY 129 N 2.98 3.58 0.00 0.00 0.00 -1.26 -3.93 105.19 106.57 1yej n GLY 129 Ca -0.01 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.35 1yej n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yej n ASP 130 N 0.43 0.86 -0.87 1.61 5.68 -1.26 -3.93 116.55 119.07 1yej n ASP 130 Ca 0.23 -0.79 -0.11 0.00 -0.50 0.00 0.00 54.79 53.63 1yej n ASP 130 Cb 0.65 0.78 -0.05 0.00 -1.14 0.00 0.00 41.12 41.36 1yej n ASP 130 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1yej n THR 131 N -1.49 0.00 0.00 2.12 -1.04 -1.25 -3.94 114.28 108.68 1yej n THR 131 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1yej n THR 131 Cb 0.33 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1yej n THR 131 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1yej n THR 132 N -2.14 0.00 -2.26 12.58 -1.04 -1.26 -4.73 114.28 115.42 1yej n THR 132 Ca -0.11 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.80 1yej n THR 132 Cb 0.58 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.14 1yej n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yej n GLY 133 N 0.00 0.46 5.20 3.41 0.00 -1.26 -4.62 105.19 108.38 1yej n GLY 133 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1yej n GLY 133 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yej n SER 134 N -3.01 0.00 -4.21 1.61 2.88 -1.26 -4.76 113.62 104.87 1yej n SER 134 Ca 0.07 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.48 1yej n SER 134 Cb 0.23 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.59 1yej n SER 134 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1yej s SER 135 N -0.97 1.42 -0.00 -3.46 1.04 -1.26 -0.47 113.70 109.99 1yej s SER 135 Ca 0.00 -1.02 -0.02 0.00 0.48 0.00 0.00 55.95 55.39 1yej s SER 135 Cb 0.00 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 1yej s SER 135 CO 0.00 -0.42 0.04 0.68 0.98 0.00 0.00 173.24 174.52 1yej s VAL 136 N -3.50 0.05 -0.07 5.02 -7.23 0.16 -4.36 120.40 110.46 1yej s VAL 136 Ca 0.15 -0.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.93 1yej s VAL 136 Cb 0.04 -0.19 -0.02 0.00 0.56 0.00 0.00 36.38 36.77 1yej s VAL 136 CO -0.02 -0.23 -0.15 0.42 -0.31 0.00 0.00 175.10 174.82 1yej s THR 137 N -0.69 2.99 0.44 5.32 -4.23 -1.25 -0.82 115.64 117.40 1yej s THR 137 Ca -0.08 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1yej s THR 137 Cb -0.05 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1yej s THR 137 CO -0.00 0.57 0.22 -0.76 -0.54 0.00 0.00 174.62 174.11 1yej s LEU 138 N -0.41 3.03 0.26 4.79 1.43 0.40 -4.52 118.68 123.66 1yej s LEU 138 Ca 0.05 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 51.94 1yej s LEU 138 Cb -0.12 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1yej s LEU 138 CO 0.02 -0.65 0.45 -0.83 0.23 0.00 0.00 176.35 175.57 1yej s GLY 139 N -3.98 0.79 -0.10 -3.19 0.00 -0.49 -1.29 107.32 99.07 1yej s GLY 139 Ca 0.38 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.99 1yej s GLY 139 CO 0.22 -0.76 0.19 0.00 0.00 0.00 0.00 173.10 172.75 1yej s LEU 141 N 2.09 3.60 -0.32 0.00 2.96 0.36 -1.71 118.68 125.66 1yej s LEU 141 Ca -0.00 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.54 1yej s LEU 141 Cb -0.12 -1.93 0.04 0.00 0.50 0.00 0.00 46.19 44.68 1yej s LEU 141 CO -0.07 -0.08 0.06 -0.69 -1.32 0.00 0.00 176.35 174.25 1yej s VAL 142 N 1.60 3.48 0.09 1.68 1.01 0.20 0.01 120.40 128.47 1yej s VAL 142 Ca 0.06 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1yej s VAL 142 Cb -0.16 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1yej s VAL 142 CO 0.04 -0.12 -0.06 -1.59 0.00 0.00 0.00 175.10 173.36 1yej s LYS 143 N 1.35 0.79 -0.19 2.72 -2.85 -0.26 -0.19 119.74 121.11 1yej s LYS 143 Ca -0.03 -1.29 -0.00 0.00 -1.00 0.00 0.00 55.97 53.65 1yej s LYS 143 Cb -0.19 -0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.42 1yej s LYS 143 CO 0.01 -0.03 0.05 0.41 0.10 0.00 0.00 175.35 175.90 1yej n GLY 144 N 0.05 0.45 3.64 0.59 0.00 -0.32 -0.88 105.19 108.71 1yej n GLY 144 Ca -0.13 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 1yej n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yej s TYR 145 N -2.45 2.64 -0.28 1.61 1.13 -1.12 -4.42 117.35 114.46 1yej s TYR 145 Ca 0.02 -0.29 -0.19 0.00 -1.41 0.00 0.00 57.07 55.20 1yej s TYR 145 Cb -0.01 -1.29 0.09 0.00 -1.10 0.00 0.00 41.96 39.65 1yej s TYR 145 CO 0.03 0.57 0.75 0.12 -2.51 0.00 0.00 175.55 174.50 1yej s PHE 146 N -2.39 -0.90 0.08 -3.49 5.36 -0.69 -0.38 117.98 115.56 1yej s PHE 146 Ca 0.33 1.92 0.01 0.00 -0.96 0.00 0.00 56.93 58.23 1yej s PHE 146 Cb -0.05 0.49 0.01 0.00 -0.34 0.00 0.00 43.02 43.13 1yej s PHE 146 CO 0.20 -0.44 0.09 -0.35 -1.46 0.00 0.00 175.22 173.26 1yej n PRO 147 N 3.66 1.05 -1.88 10.12 -0.04 -1.26 -0.02 135.00 146.63 1yej n PRO 147 Ca -0.18 -0.42 -0.32 0.00 -0.04 0.00 0.00 63.50 62.54 1yej n PRO 147 Cb 0.58 -0.01 0.02 0.00 -0.04 0.00 0.00 33.50 34.05 1yej n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1yej s GLU 148 N -2.34 3.17 0.49 0.54 0.41 -1.26 -4.73 118.70 114.98 1yej s GLU 148 Ca 0.07 1.13 0.08 0.00 -0.41 0.00 0.00 54.97 55.84 1yej s GLU 148 Cb -0.01 -2.02 0.04 0.00 -1.78 0.00 0.00 34.13 30.36 1yej s GLU 148 CO 0.05 -0.92 0.61 -1.25 -0.49 0.00 0.00 175.26 173.25 1yej s PRO 149 N -4.40 2.55 0.08 0.39 0.04 -1.26 -4.95 135.00 127.47 1yej s PRO 149 Ca 0.62 -1.49 0.07 0.00 0.04 0.00 0.00 61.00 60.24 1yej s PRO 149 Cb -0.15 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 1yej s PRO 149 CO 0.43 -0.50 -0.18 0.08 0.04 0.00 0.00 177.00 176.87 1yej s VAL 150 N -2.52 1.46 -0.17 -0.36 1.01 -1.26 -4.35 120.40 114.21 1yej s VAL 150 Ca 0.55 -1.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1yej s VAL 150 Cb -0.07 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1yej s VAL 150 CO 0.34 -0.10 -0.11 -0.89 0.00 0.00 0.00 175.10 174.33 1yej s THR 151 N -1.16 2.99 -0.11 3.92 2.01 0.21 -4.94 115.64 118.57 1yej s THR 151 Ca 0.03 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1yej s THR 151 Cb -0.10 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.13 1yej s THR 151 CO 0.03 0.49 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.08 1yej s LEU 152 N 0.89 1.73 0.16 4.42 1.98 -1.26 -0.26 118.68 126.35 1yej s LEU 152 Ca -0.03 -0.43 0.01 0.00 -2.89 0.00 0.00 54.13 50.79 1yej s LEU 152 Cb -0.15 -1.09 -0.04 0.00 0.66 0.00 0.00 46.19 45.56 1yej s LEU 152 CO -0.00 0.02 0.03 0.42 -1.89 0.00 0.00 176.35 174.92 1yej s THR 154 N 0.97 0.42 -0.10 3.68 -4.23 -0.16 -4.98 115.64 111.24 1yej s THR 154 Ca -0.07 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1yej s THR 154 Cb -0.15 -2.11 -0.00 0.00 1.34 0.00 0.00 72.50 71.58 1yej s THR 154 CO -0.01 -0.45 -0.23 0.26 -0.54 0.00 0.00 174.62 173.64 1yej s TRP 155 N -3.83 2.58 -1.53 3.99 0.52 -1.26 -0.19 118.94 119.22 1yej s TRP 155 Ca 0.25 -1.04 -0.11 0.00 0.02 0.00 0.00 56.10 55.22 1yej s TRP 155 Cb 0.07 -1.72 0.08 0.00 -1.15 0.00 0.00 33.47 30.75 1yej s TRP 155 CO 0.03 -0.41 0.82 0.09 0.02 0.00 0.00 176.95 177.49 1yej n ASN 160 N 3.53 -3.28 -2.24 2.95 3.02 0.60 -0.88 115.26 118.97 1yej n ASN 160 Ca -0.19 -0.88 -0.19 0.00 -0.03 0.00 0.00 54.58 53.29 1yej n ASN 160 Cb 0.53 -3.50 -0.00 0.00 -0.61 0.00 0.00 39.78 36.20 1yej n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1yej n SER 161 N -2.84 -5.47 0.00 6.41 7.64 -1.26 -1.44 113.62 116.66 1yej n SER 161 Ca -0.05 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1yej n SER 161 Cb 0.56 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1yej n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yej n GLY 162 N -1.09 1.46 0.01 0.23 0.00 -0.06 -4.88 105.19 100.87 1yej n GLY 162 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1yej n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yej n SER 163 N 0.00 0.06 -3.84 1.61 7.64 -0.52 -4.37 113.62 114.20 1yej n SER 163 Ca 0.00 0.51 -0.30 0.00 1.01 0.00 0.00 58.87 60.10 1yej n SER 163 Cb 0.00 -0.53 -0.16 0.00 -1.01 0.00 0.00 64.21 62.52 1yej n SER 163 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yej s LEU 164 N -3.12 2.40 0.00 -3.43 2.96 -1.08 -4.95 118.68 111.46 1yej s LEU 164 Ca 0.07 -1.35 0.00 0.00 -0.22 0.00 0.00 54.13 52.63 1yej s LEU 164 Cb 0.10 -1.00 0.00 0.00 0.50 0.00 0.00 46.19 45.79 1yej s LEU 164 CO 0.29 -0.32 0.00 -1.54 -1.32 0.00 0.00 176.35 173.46 1yej n SER 165 N 4.77 3.32 -4.71 3.68 3.41 -1.26 -4.27 113.62 118.55 1yej n SER 165 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 1yej n SER 165 Cb 0.44 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 1yej n SER 165 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1yej s SER 166 N -1.50 7.12 0.00 4.04 1.04 -1.26 -3.15 113.70 119.99 1yej s SER 166 Ca 0.00 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1yej s SER 166 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1yej s SER 166 CO 0.00 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1yej n GLY 167 N 3.16 0.39 3.55 7.32 0.00 -1.26 -4.77 105.19 113.57 1yej n GLY 167 Ca 0.08 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1yej n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yej s VAL 169 N -2.00 4.18 -0.19 1.61 1.01 -1.19 -1.49 120.40 122.34 1yej s VAL 169 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1yej s VAL 169 Cb 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.57 1yej s VAL 169 CO 0.00 0.49 -0.12 -1.00 0.00 0.00 0.00 175.10 174.46 1yej s HIS 170 N 0.30 2.45 -0.24 5.22 3.76 -0.25 -4.98 115.29 121.56 1yej s HIS 170 Ca -0.01 -1.55 -0.06 0.00 -0.15 0.00 0.00 55.06 53.29 1yej s HIS 170 Cb -0.13 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 1yej s HIS 170 CO 0.02 -0.74 0.02 0.99 -0.85 0.00 0.00 174.74 174.18 1yej s THR 171 N 1.39 3.83 0.21 1.30 2.01 -1.26 -1.13 115.64 121.99 1yej s THR 171 Ca 0.01 -0.37 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 1yej s THR 171 Cb -0.15 -2.79 -0.08 0.00 0.01 0.00 0.00 72.50 69.49 1yej s THR 171 CO -0.09 0.36 0.77 -0.36 -0.69 0.00 0.00 174.62 174.61 1yej s PHE 172 N 1.54 3.78 0.42 4.92 0.08 -0.20 -5.01 117.98 123.50 1yej s PHE 172 Ca 0.06 1.55 -0.26 0.00 0.12 0.00 0.00 56.93 58.39 1yej s PHE 172 Cb -0.15 -2.72 -0.10 0.00 -0.57 0.00 0.00 43.02 39.48 1yej s PHE 172 CO 0.00 0.41 1.40 -2.30 -0.10 0.00 0.00 175.22 174.64 1yej n PRO 173 N 1.12 2.30 -2.10 0.24 -0.02 -1.26 -4.31 135.00 130.97 1yej n PRO 173 Ca -0.04 0.81 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 1yej n PRO 173 Cb 0.50 -2.57 0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1yej n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yej s ALA 174 N -1.16 2.63 -0.07 3.55 0.00 -1.26 -4.84 121.76 120.61 1yej s ALA 174 Ca 0.58 0.96 0.03 0.00 0.00 0.00 0.00 51.96 53.53 1yej s ALA 174 Cb -0.48 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.23 1yej s ALA 174 CO 0.60 -1.01 -0.16 0.08 0.00 0.00 0.00 175.76 175.27 1yej s VAL 175 N -1.63 1.39 -0.07 0.00 1.01 -0.39 -4.94 120.40 115.78 1yej s VAL 175 Ca 0.75 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 1yej s VAL 175 Cb -0.29 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1yej s VAL 175 CO 0.32 0.41 0.49 -0.22 0.00 0.00 0.00 175.10 176.10 1yej s LEU 176 N 0.50 4.35 -0.24 3.92 2.96 -1.26 -1.59 118.68 127.31 1yej s LEU 176 Ca -0.14 0.92 -0.06 0.00 -0.22 0.00 0.00 54.13 54.62 1yej s LEU 176 Cb -0.16 -2.72 0.11 0.00 0.50 0.00 0.00 46.19 43.92 1yej s LEU 176 CO 0.05 0.09 0.48 -1.58 -1.32 0.00 0.00 176.35 174.06 1yej s GLN 177 N 0.11 0.41 -0.83 1.98 0.74 -0.03 -4.93 119.66 117.11 1yej s GLN 177 Ca 0.27 1.06 -0.03 0.00 0.05 0.00 0.00 55.36 56.70 1yej s GLN 177 Cb -0.16 0.36 0.00 0.00 1.10 0.00 0.00 33.01 34.31 1yej s GLN 177 CO 0.12 -0.33 0.71 0.43 -0.55 0.00 0.00 175.29 175.67 1yej n SER 178 N 5.40 -3.47 0.00 6.67 7.64 -1.26 -3.08 113.62 125.52 1yej n SER 178 Ca -0.08 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1yej n SER 178 Cb 0.50 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 1yej n SER 178 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1yej n ASP 181 N -1.89 -4.24 -4.04 6.43 8.00 -1.26 -4.98 116.55 114.57 1yej n ASP 181 Ca -0.09 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.27 1yej n ASP 181 Cb 0.57 -2.30 -0.12 0.00 -0.02 0.00 0.00 41.12 39.25 1yej n ASP 181 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yej s LEU 182 N 0.00 2.18 0.31 0.64 1.43 -1.18 -4.81 118.68 117.26 1yej s LEU 182 Ca 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1yej s LEU 182 Cb 0.00 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1yej s LEU 182 CO 0.00 -0.12 0.51 -0.31 0.23 0.00 0.00 176.35 176.66 1yej s TYR 183 N -1.01 3.49 -0.01 0.29 2.02 0.48 -0.85 117.35 121.76 1yej s TYR 183 Ca -0.06 0.35 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 1yej s TYR 183 Cb -0.08 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 1yej s TYR 183 CO 0.00 0.19 -0.01 0.99 -1.57 0.00 0.00 175.55 175.15 1yej s THR 184 N -2.20 0.16 0.03 -0.71 2.01 -0.62 -1.17 115.64 113.14 1yej s THR 184 Ca 0.40 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1yej s THR 184 Cb -0.10 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1yej s THR 184 CO 0.34 0.08 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.08 1yej s LEU 185 N 0.32 2.27 0.05 4.42 0.20 0.73 -1.26 118.68 125.41 1yej s LEU 185 Ca -0.03 -0.57 -0.07 0.00 0.69 0.00 0.00 54.13 54.15 1yej s LEU 185 Cb -0.05 0.02 -0.01 0.00 -0.43 0.00 0.00 46.19 45.72 1yej s LEU 185 CO -0.01 -0.30 0.14 -0.94 -0.29 0.00 0.00 176.35 174.96 1yej s SER 186 N -1.65 0.13 -0.04 3.68 1.04 -1.26 -0.63 113.70 114.98 1yej s SER 186 Ca -0.12 -0.52 -0.06 0.00 0.48 0.00 0.00 55.95 55.74 1yej s SER 186 Cb -0.08 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1yej s SER 186 CO -0.01 -0.57 0.14 -0.55 0.98 0.00 0.00 173.24 173.23 1yej s SER 187 N -2.28 -0.10 0.20 7.02 0.15 -0.69 -1.03 113.70 116.97 1yej s SER 187 Ca -0.03 0.14 0.11 0.00 0.70 0.00 0.00 55.95 56.87 1yej s SER 187 Cb 0.00 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 1yej s SER 187 CO -0.06 -0.15 -0.22 -0.94 1.20 0.00 0.00 173.24 173.08 1yej s SER 188 N -0.36 3.26 -0.07 5.45 1.04 -0.28 -0.81 113.70 121.92 1yej s SER 188 Ca -0.04 -0.90 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 1yej s SER 188 Cb -0.03 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 65.89 1yej s SER 188 CO 0.01 0.06 0.15 0.54 0.98 0.00 0.00 173.24 174.98 1yej s VAL 189 N -1.94 -0.09 -0.16 5.02 0.11 -0.41 -1.08 120.40 121.85 1yej s VAL 189 Ca 0.21 0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 59.43 1yej s VAL 189 Cb -0.07 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1yej s VAL 189 CO 0.10 0.09 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.05 1yej s THR 190 N 1.38 4.05 0.35 5.04 2.01 -0.55 -0.45 115.64 127.46 1yej s THR 190 Ca -0.07 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.67 1yej s THR 190 Cb -0.12 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 1yej s THR 190 CO -0.06 0.49 0.14 1.33 -0.69 0.00 0.00 174.62 175.83 1yej n VAL 191 N 3.55 0.00 -3.24 3.82 0.24 -0.00 -4.77 118.33 117.93 1yej n VAL 191 Ca -0.17 -2.08 -0.33 0.00 -2.04 0.00 0.00 64.34 59.72 1yej n VAL 191 Cb 0.52 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.62 1yej n VAL 191 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1yej s THR 192 N -2.93 4.76 0.61 3.34 -4.23 -1.26 -0.67 115.64 115.26 1yej s THR 192 Ca 0.20 0.84 0.28 0.00 -1.18 0.00 0.00 61.69 61.83 1yej s THR 192 Cb 0.01 -3.66 0.36 0.00 1.34 0.00 0.00 72.50 70.55 1yej s THR 192 CO 0.14 -0.06 1.87 0.28 -0.54 0.00 0.00 174.62 176.32 1yej h SER 193 N 2.63 0.00 -0.20 3.99 0.02 -1.05 -0.34 113.55 118.60 1yej h SER 193 Ca -0.48 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.33 1yej h SER 193 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1yej h SER 193 CO 0.66 0.00 -0.45 0.28 -1.14 0.00 0.00 176.83 176.19 1yej h SER 194 N 0.00 0.74 0.67 3.07 0.02 -1.92 -3.36 113.55 112.77 1yej h SER 194 Ca 0.17 -0.56 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1yej h SER 194 Cb 1.13 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.46 1yej h SER 194 CO -0.00 1.17 -0.32 0.71 -1.14 0.00 0.00 176.83 177.24 1yej h THR 196 N 0.35 0.00 -2.91 -2.27 1.35 -1.44 -3.39 112.91 104.60 1yej h THR 196 Ca 0.00 -0.26 -0.63 0.00 -0.55 0.00 0.00 66.41 64.98 1yej h THR 196 Cb 1.06 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.42 1yej h THR 196 CO 0.10 0.00 -0.30 0.86 -0.25 0.00 0.00 175.52 175.93 1yej s TRP 197 N -4.54 3.66 -2.11 4.73 -0.00 -1.19 0.11 118.94 119.61 1yej s TRP 197 Ca -0.13 0.80 0.18 0.00 -0.00 0.00 0.00 56.10 56.95 1yej s TRP 197 Cb 0.01 -2.15 0.86 0.00 -0.00 0.00 0.00 33.47 32.19 1yej s TRP 197 CO 0.39 0.66 1.58 -2.30 -0.00 0.00 0.00 176.95 177.28 1yej n PRO 198 N 1.70 1.32 -0.32 5.86 -0.02 -1.26 -4.68 135.00 137.59 1yej n PRO 198 Ca -0.15 -0.48 0.09 0.00 -2.02 0.00 0.00 63.50 60.94 1yej n PRO 198 Cb 0.53 -1.31 0.30 0.00 -0.02 0.00 0.00 33.50 33.00 1yej n PRO 198 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1yej h SER 200 N 0.95 0.82 -3.87 2.55 0.02 -1.11 -3.39 113.55 109.51 1yej h SER 200 Ca 0.00 0.04 -0.68 0.00 -0.84 0.00 0.00 61.79 60.32 1yej h SER 200 Cb 0.21 -0.12 -0.32 0.00 0.14 0.00 0.00 62.40 62.31 1yej h SER 200 CO 0.00 0.43 -0.88 -1.10 -1.14 0.00 0.00 176.83 174.14 1yej s GLN 201 N -5.84 2.57 0.29 3.45 -0.21 0.31 -5.09 119.66 115.14 1yej s GLN 201 Ca -0.11 -0.87 -0.29 0.00 0.02 0.00 0.00 55.36 54.11 1yej s GLN 201 Cb 0.22 -2.13 -0.10 0.00 1.00 0.00 0.00 33.01 32.01 1yej s GLN 201 CO 0.80 0.33 1.22 -1.54 -2.12 0.00 0.00 175.29 173.98 1yej s SER 202 N -0.04 6.99 -0.15 5.90 1.04 -1.26 -4.37 113.70 121.81 1yej s SER 202 Ca -0.07 2.48 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1yej s SER 202 Cb -0.14 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.34 1yej s SER 202 CO 0.05 -0.37 -0.15 -0.63 0.98 0.00 0.00 173.24 173.11 1yej s ILE 203 N -0.97 2.69 -0.04 -1.02 -1.09 -1.26 -5.00 121.20 114.51 1yej s ILE 203 Ca 0.48 -0.76 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 1yej s ILE 203 Cb -0.36 -2.13 -0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1yej s ILE 203 CO 0.46 0.52 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.63 1yej s THR 204 N 0.77 1.41 -0.26 2.92 2.01 -1.26 -1.01 115.64 120.22 1yej s THR 204 Ca -0.06 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.06 1yej s THR 204 Cb -0.15 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1yej s THR 204 CO 0.01 0.41 0.49 0.00 -0.69 0.00 0.00 174.62 174.83 1yej s ASN 207 N 1.53 5.26 -0.04 0.00 -0.87 0.73 -0.20 114.94 121.36 1yej s ASN 207 Ca 0.20 -0.09 0.04 0.00 -1.57 0.00 0.00 52.86 51.44 1yej s ASN 207 Cb -0.16 -1.92 -0.00 0.00 -0.02 0.00 0.00 41.25 39.16 1yej s ASN 207 CO 0.09 0.07 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.86 1yej s VAL 208 N 0.98 1.18 -0.02 1.60 1.01 0.58 -0.99 120.40 124.75 1yej s VAL 208 Ca 0.03 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1yej s VAL 208 Cb -0.14 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 1yej s VAL 208 CO 0.03 0.35 -0.11 0.00 0.00 0.00 0.00 175.10 175.36 1yej s ALA 209 N 0.11 1.01 -0.43 5.51 0.00 0.65 -0.52 121.76 128.09 1yej s ALA 209 Ca -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1yej s ALA 209 Cb -0.11 -0.32 0.14 0.00 0.00 0.00 0.00 23.12 22.82 1yej s ALA 209 CO 0.02 0.20 0.23 -1.58 0.00 0.00 0.00 175.76 174.63 1yej s HIS 210 N -0.00 1.84 0.27 0.00 2.46 0.10 0.66 115.29 120.62 1yej s HIS 210 Ca -0.00 -2.33 -0.03 0.00 0.47 0.00 0.00 55.06 53.17 1yej s HIS 210 Cb -0.08 -1.78 0.58 0.00 -0.13 0.00 0.00 32.58 31.17 1yej s HIS 210 CO 0.00 -0.79 1.63 -1.00 -2.47 0.00 0.00 174.74 172.11 1yej h PRO 211 N 6.78 0.13 -0.87 2.88 0.13 -1.80 -1.82 132.00 137.43 1yej h PRO 211 Ca -0.00 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 65.31 1yej h PRO 211 Cb 0.93 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.97 1yej h PRO 211 CO 0.46 0.08 0.58 0.00 -0.23 0.00 0.00 178.00 178.89 1yej h ALA 212 N 1.77 2.20 -0.23 -0.56 0.00 -1.91 -0.44 119.26 120.09 1yej h ALA 212 Ca 0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1yej h ALA 212 Cb 0.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1yej h ALA 212 CO -0.70 -0.47 0.00 -1.13 0.00 0.00 0.00 179.25 176.95 1yej n SER 213 N -4.50 2.80 -3.16 0.00 3.41 -0.81 -4.96 113.62 106.39 1yej n SER 213 Ca 0.18 -2.20 -0.22 0.00 -0.26 0.00 0.00 58.87 56.37 1yej n SER 213 Cb 0.67 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1yej n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yej n SER 214 N 0.02 -5.00 -4.85 4.04 7.64 -0.18 -4.96 113.62 110.33 1yej n SER 214 Ca 0.10 -0.32 -0.37 0.00 1.01 0.00 0.00 58.87 59.29 1yej n SER 214 Cb 0.46 -4.08 -0.06 0.00 -1.01 0.00 0.00 64.21 59.52 1yej n SER 214 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1yej s THR 215 N -3.05 5.14 -0.22 0.44 2.01 -0.85 -4.96 115.64 114.15 1yej s THR 215 Ca 0.34 0.61 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 1yej s THR 215 Cb -0.16 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 68.82 1yej s THR 215 CO 0.42 0.51 0.38 -0.75 -0.69 0.00 0.00 174.62 174.50 1yej s LYS 216 N -1.29 0.32 0.05 4.92 2.47 -1.26 -0.72 119.74 124.24 1yej s LYS 216 Ca 0.24 0.75 0.03 0.00 -1.56 0.00 0.00 55.97 55.43 1yej s LYS 216 Cb -0.15 -0.13 -0.03 0.00 -1.46 0.00 0.00 37.83 36.06 1yej s LYS 216 CO 0.13 -0.46 -0.08 0.14 0.16 0.00 0.00 175.35 175.23 1yej s VAL 217 N 2.56 0.64 -0.09 4.02 -7.23 0.32 -5.00 120.40 115.62 1yej s VAL 217 Ca 0.06 -1.24 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1yej s VAL 217 Cb -0.14 -0.82 0.01 0.00 0.56 0.00 0.00 36.38 35.99 1yej s VAL 217 CO -0.14 -0.43 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.26 1yej s ASP 218 N -1.82 2.21 -0.19 4.85 1.11 -1.26 -0.30 116.67 121.28 1yej s ASP 218 Ca -0.06 -0.38 0.00 0.00 0.18 0.00 0.00 52.55 52.30 1yej s ASP 218 Cb -0.08 -0.99 0.01 0.00 1.07 0.00 0.00 42.92 42.93 1yej s ASP 218 CO -0.00 0.03 -0.17 -0.54 1.18 0.00 0.00 175.17 175.67 1yej s LYS 219 N 0.85 3.07 0.09 8.23 -0.14 0.73 -4.94 119.74 127.63 1yej s LYS 219 Ca -0.10 -0.79 -0.24 0.00 -1.36 0.00 0.00 55.97 53.48 1yej s LYS 219 Cb -0.15 -2.65 -0.07 0.00 -1.68 0.00 0.00 37.83 33.28 1yej s LYS 219 CO 0.01 -0.20 0.72 0.21 -0.76 0.00 0.00 175.35 175.34 1yej s LYS 220 N 1.30 4.46 -0.63 1.68 2.20 -1.26 0.26 119.74 127.74 1yej s LYS 220 Ca 0.04 1.01 -0.23 0.00 -0.36 0.00 0.00 55.97 56.44 1yej s LYS 220 Cb -0.13 -3.30 0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1yej s LYS 220 CO -0.10 0.47 0.95 0.42 -0.36 0.00 0.00 175.35 176.73 1yej s ILE 221 N -0.68 4.34 0.14 5.43 -1.09 -0.18 -4.91 121.20 124.25 1yej s ILE 221 Ca 0.35 -0.22 -0.14 0.00 -2.23 0.00 0.00 60.65 58.41 1yej s ILE 221 Cb -0.21 -4.65 -0.07 0.00 -1.58 0.00 0.00 42.46 35.95 1yej s ILE 221 CO 0.23 -1.38 0.54 -1.61 -1.23 0.00 0.00 174.94 171.50 1yej s GLU 222 N 4.03 3.98 0.00 2.79 0.41 -1.26 -4.65 118.70 123.99 1yej s GLU 222 Ca 0.24 0.49 0.07 0.00 -0.41 0.00 0.00 54.97 55.36 1yej s GLU 222 Cb -0.16 -2.95 0.42 0.00 -1.78 0.00 0.00 34.13 29.66 1yej s GLU 222 CO 0.12 0.49 0.88 -2.30 -0.49 0.00 0.00 175.26 173.96