#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkw n PRO 9 N 0.00 1.31 -2.00 -2.82 -0.02 -1.26 -4.95 135.00 125.26 2wkw n PRO 9 Ca 0.00 0.20 -0.26 0.00 -2.02 0.00 0.00 63.50 61.42 2wkw n PRO 9 Cb 0.00 -3.24 0.17 0.00 -0.02 0.00 0.00 33.50 30.41 2wkw n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wkw n ALA 10 N 13.91 -0.96 0.00 3.55 0.00 -1.26 -5.00 120.51 130.75 2wkw n ALA 10 Ca 0.36 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 52.09 2wkw n ALA 10 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2wkw n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wkw n GLY 11 N -2.96 -3.03 3.83 0.00 0.00 -1.26 -5.01 105.19 96.76 2wkw n GLY 11 Ca 0.16 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 2wkw n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wkw s PRO 12 N -0.94 2.61 -0.10 1.61 0.04 -1.26 -5.07 135.00 131.88 2wkw s PRO 12 Ca 0.00 0.68 0.03 0.00 0.04 0.00 0.00 61.00 61.75 2wkw s PRO 12 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2wkw s PRO 12 CO 0.00 -1.26 -0.21 -1.17 0.04 0.00 0.00 177.00 174.40 2wkw s LEU 13 N -5.57 1.97 -0.17 -3.56 2.96 -1.26 -5.12 118.68 107.93 2wkw s LEU 13 Ca 0.59 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.94 2wkw s LEU 13 Cb -0.13 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 2wkw s LEU 13 CO 0.54 0.10 0.01 -0.89 -1.32 0.00 0.00 176.35 174.79 2wkw s THR 14 N 0.58 4.23 -0.21 3.68 2.01 -1.26 -5.09 115.64 119.58 2wkw s THR 14 Ca -0.14 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.57 2wkw s THR 14 Cb -0.17 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2wkw s THR 14 CO 0.04 0.47 0.01 -0.76 -0.69 0.00 0.00 174.62 173.69 2wkw s LEU 15 N 0.50 3.25 0.27 4.42 1.43 -1.26 -3.94 118.68 123.35 2wkw s LEU 15 Ca -0.01 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2wkw s LEU 15 Cb -0.14 -1.84 0.37 0.00 0.03 0.00 0.00 46.19 44.62 2wkw s LEU 15 CO 0.02 0.03 1.68 -1.28 0.23 0.00 0.00 176.35 177.03 2wkw h SER 16 N 7.72 0.45 -5.03 2.29 0.87 -0.58 -3.47 113.55 115.81 2wkw h SER 16 Ca -0.37 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 59.95 2wkw h SER 16 Cb 1.17 -0.13 -0.16 0.00 -0.44 0.00 0.00 62.40 62.85 2wkw h SER 16 CO 0.60 0.76 0.01 -0.83 -0.53 0.00 0.00 176.83 176.84 2wkw s GLY 17 N -4.07 -0.39 -0.02 5.77 0.00 -0.94 -5.00 107.32 102.67 2wkw s GLY 17 Ca -0.06 0.47 -0.22 0.00 0.00 0.00 0.00 44.72 44.91 2wkw s GLY 17 CO 0.79 0.19 0.47 -0.86 0.00 0.00 0.00 173.10 173.69 2wkw s GLN 18 N -2.63 0.87 0.00 2.90 -2.07 -1.26 -0.30 119.66 117.17 2wkw s GLN 18 Ca -0.04 -0.05 0.00 0.00 -1.82 0.00 0.00 55.36 53.44 2wkw s GLN 18 Cb -0.00 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 2wkw s GLN 18 CO -0.03 -0.27 0.00 0.41 -1.32 0.00 0.00 175.29 174.08 2wkw n GLY 19 N 0.99 -1.25 3.24 2.60 0.00 -0.91 -5.01 105.19 104.84 2wkw n GLY 19 Ca -0.20 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 2wkw n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wkw s SER 20 N -4.00 -0.27 0.25 1.61 0.01 -1.26 -0.50 113.70 109.55 2wkw s SER 20 Ca 0.00 0.36 -0.21 0.00 1.31 0.00 0.00 55.95 57.41 2wkw s SER 20 Cb 0.00 0.49 0.05 0.00 0.21 0.00 0.00 66.02 66.77 2wkw s SER 20 CO 0.00 -0.30 0.86 0.72 0.41 0.00 0.00 173.24 174.93 2wkw s PHE 21 N -0.65 -0.06 0.18 2.43 -0.12 -0.63 -5.03 117.98 114.10 2wkw s PHE 21 Ca -0.07 -0.39 0.11 0.00 -0.05 0.00 0.00 56.93 56.53 2wkw s PHE 21 Cb -0.04 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 2wkw s PHE 21 CO 0.03 -1.13 -0.25 -0.06 -0.05 0.00 0.00 175.22 173.76 2wkw s PHE 22 N -3.09 2.31 -0.08 3.49 0.40 -1.26 -0.93 117.98 118.81 2wkw s PHE 22 Ca 0.14 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 2wkw s PHE 22 Cb -0.04 -1.16 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 2wkw s PHE 22 CO 0.06 0.47 -0.21 0.08 0.70 0.00 0.00 175.22 176.32 2wkw s VAL 23 N -1.55 2.40 0.00 -0.44 1.01 -0.19 -4.90 120.40 116.73 2wkw s VAL 23 Ca 0.19 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2wkw s VAL 23 Cb -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2wkw s VAL 23 CO 0.09 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.36 2wkw n GLY 24 N 3.10 0.26 0.00 4.51 0.00 -1.26 -0.43 105.19 111.37 2wkw n GLY 24 Ca -0.18 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2wkw n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkw n GLY 25 N 0.00 2.48 3.07 -0.02 0.00 -1.26 -4.44 105.19 105.02 2wkw n GLY 25 Ca 0.00 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 2wkw n GLY 25 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wkw s ARG 26 N -3.79 0.68 -0.12 1.61 1.70 0.45 -4.86 118.95 114.63 2wkw s ARG 26 Ca 0.00 -0.60 -0.24 0.00 -0.47 0.00 0.00 55.73 54.42 2wkw s ARG 26 Cb 0.00 -0.61 -0.03 0.00 -0.57 0.00 0.00 34.95 33.74 2wkw s ARG 26 CO 0.00 0.15 0.76 -0.51 -1.08 0.00 0.00 175.30 174.61 2wkw s ASP 27 N -0.98 6.96 -0.06 -2.89 1.11 -1.26 -0.97 116.67 118.58 2wkw s ASP 27 Ca -0.02 1.16 0.04 0.00 0.18 0.00 0.00 52.55 53.91 2wkw s ASP 27 Cb -0.07 -2.43 -0.02 0.00 1.07 0.00 0.00 42.92 41.47 2wkw s ASP 27 CO 0.01 -0.25 -0.16 0.68 1.18 0.00 0.00 175.17 176.62 2wkw s VAL 28 N 1.47 2.90 -0.16 -1.27 -7.23 0.48 -4.97 120.40 111.63 2wkw s VAL 28 Ca 0.37 -0.77 -0.19 0.00 -1.81 0.00 0.00 61.98 59.58 2wkw s VAL 28 Cb -0.17 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2wkw s VAL 28 CO 0.15 0.58 0.54 -0.89 -0.31 0.00 0.00 175.10 175.18 2wkw s THR 29 N -0.55 5.11 0.11 5.32 2.01 -1.26 -1.62 115.64 124.76 2wkw s THR 29 Ca 0.08 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.19 2wkw s THR 29 Cb -0.11 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2wkw s THR 29 CO 0.01 0.22 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.41 2wkw s SER 30 N 0.96 2.54 -0.10 3.53 0.15 -0.30 -5.02 113.70 115.45 2wkw s SER 30 Ca 0.27 -0.72 0.15 0.00 0.70 0.00 0.00 55.95 56.34 2wkw s SER 30 Cb -0.16 -0.14 0.23 0.00 -1.71 0.00 0.00 66.02 64.25 2wkw s SER 30 CO 0.11 0.03 1.12 -1.84 1.20 0.00 0.00 173.24 173.85 2wkw n GLU 31 N 0.91 1.51 -2.04 5.44 0.28 -1.25 -2.10 120.64 123.39 2wkw n GLU 31 Ca -0.18 -2.34 -0.02 0.00 -0.16 0.00 0.00 57.16 54.46 2wkw n GLU 31 Cb 0.54 -1.38 0.05 0.00 1.43 0.00 0.00 31.44 32.09 2wkw n GLU 31 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2wkw n THR 32 N -1.23 1.20 0.21 3.84 -2.24 -0.98 -4.47 114.28 110.61 2wkw n THR 32 Ca 0.13 -2.59 0.09 0.00 -2.27 0.00 0.00 64.05 59.41 2wkw n THR 32 Cb 0.58 0.64 0.40 0.00 -2.10 0.00 0.00 70.33 69.84 2wkw n THR 32 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wkw h LEU 33 N 1.86 0.00 -7.97 3.22 3.38 -1.55 -3.43 115.31 110.83 2wkw h LEU 33 Ca -0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.67 2wkw h LEU 33 Cb 1.47 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.99 2wkw h LEU 33 CO 0.23 0.26 -0.72 -0.55 0.09 0.00 0.00 178.44 177.75 2wkw s SER 34 N -6.24 0.41 0.00 -0.43 0.15 -1.26 -4.99 113.70 101.34 2wkw s SER 34 Ca 0.01 -0.36 0.17 0.00 0.70 0.00 0.00 55.95 56.46 2wkw s SER 34 Cb 0.10 0.04 -0.17 0.00 -1.71 0.00 0.00 66.02 64.28 2wkw s SER 34 CO 0.65 -0.17 0.72 0.18 1.20 0.00 0.00 173.24 175.82 2wkw n LEU 35 N 2.02 0.84 -4.84 3.45 4.77 -1.26 -4.62 117.00 117.36 2wkw n LEU 35 Ca -0.20 -0.51 -0.37 0.00 -0.03 0.00 0.00 56.01 54.90 2wkw n LEU 35 Cb 0.56 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 2wkw n LEU 35 CO 0.22 0.20 0.16 -0.55 -1.33 0.00 0.00 177.39 176.09 2wkw s SER 36 N -2.54 6.84 0.00 -1.43 0.15 -1.26 -4.97 113.70 110.49 2wkw s SER 36 Ca 0.07 1.02 0.16 0.00 0.70 0.00 0.00 55.95 57.90 2wkw s SER 36 Cb 0.13 -2.27 0.72 0.00 -1.71 0.00 0.00 66.02 62.89 2wkw s SER 36 CO 0.67 0.25 1.52 -2.65 1.20 0.00 0.00 173.24 174.23 2wkw n PRO 37 N 1.45 0.03 0.21 5.44 -0.02 -1.26 -2.60 135.00 138.25 2wkw n PRO 37 Ca -0.11 0.21 0.15 0.00 -2.02 0.00 0.00 63.50 61.73 2wkw n PRO 37 Cb 0.52 -1.50 0.54 0.00 -0.02 0.00 0.00 33.50 33.04 2wkw n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wkw h LYS 38 N 0.00 0.00 -5.80 -0.52 1.57 -2.01 -3.45 116.57 106.37 2wkw h LYS 38 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2wkw h LYS 38 Cb 0.27 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.35 2wkw h LYS 38 CO 0.00 0.00 -0.81 0.71 -0.57 0.00 0.00 179.45 178.78 2wkw s TYR 39 N -3.46 1.56 0.04 -1.35 1.51 -1.07 -5.11 117.35 109.46 2wkw s TYR 39 Ca 0.04 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 2wkw s TYR 39 Cb 0.09 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 2wkw s TYR 39 CO 0.52 0.11 1.16 0.34 -1.11 0.00 0.00 175.55 176.57 2wkw s ASP 40 N -1.52 7.13 0.31 2.29 -1.08 -1.26 -4.75 116.67 117.78 2wkw s ASP 40 Ca 0.04 1.94 0.26 0.00 -0.52 0.00 0.00 52.55 54.27 2wkw s ASP 40 Cb -0.09 -2.58 0.87 0.00 -1.46 0.00 0.00 42.92 39.66 2wkw s ASP 40 CO 0.03 -0.44 1.76 0.00 0.52 0.00 0.00 175.17 177.03 2wkw h ALA 41 N 6.84 1.00 -2.79 3.66 0.00 -1.86 -3.41 119.26 122.71 2wkw h ALA 41 Ca -0.41 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.90 2wkw h ALA 41 Cb 1.21 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 2wkw h ALA 41 CO 0.81 0.00 -0.12 -1.01 0.00 0.00 0.00 179.25 178.93 2wkw s HIS 42 N -3.27 3.38 -0.06 0.00 3.76 -1.26 -1.45 115.29 116.39 2wkw s HIS 42 Ca 0.07 0.71 -0.27 0.00 -0.15 0.00 0.00 55.06 55.41 2wkw s HIS 42 Cb 0.10 -2.60 0.09 0.00 1.11 0.00 0.00 32.58 31.28 2wkw s HIS 42 CO 0.54 -0.05 1.22 0.41 -0.85 0.00 0.00 174.74 176.01 2wkw n GLY 43 N 3.87 0.16 3.53 -2.22 0.00 -0.89 -5.02 105.19 104.63 2wkw n GLY 43 Ca -0.06 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 2wkw n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wkw s THR 44 N -2.01 3.99 0.23 2.61 2.01 -1.26 -1.15 115.64 120.06 2wkw s THR 44 Ca 0.29 -0.33 0.10 0.00 0.31 0.00 0.00 61.69 62.06 2wkw s THR 44 Cb -0.00 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 2wkw s THR 44 CO -0.02 0.51 -0.18 0.68 -0.69 0.00 0.00 174.62 174.92 2wkw s VAL 45 N 0.13 2.11 -0.22 3.82 -7.23 -0.64 -4.96 120.40 113.42 2wkw s VAL 45 Ca -0.01 -2.23 -0.08 0.00 -1.81 0.00 0.00 61.98 57.85 2wkw s VAL 45 Cb -0.13 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2wkw s VAL 45 CO 0.03 -0.43 0.09 -0.89 -0.31 0.00 0.00 175.10 173.59 2wkw s THR 46 N -2.53 4.84 0.22 5.32 2.01 -1.26 -0.38 115.64 123.86 2wkw s THR 46 Ca 0.24 -0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.30 2wkw s THR 46 Cb -0.04 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 2wkw s THR 46 CO 0.10 0.39 -0.09 0.68 -0.69 0.00 0.00 174.62 175.02 2wkw s VAL 47 N 0.89 1.51 0.00 3.82 -7.23 -0.14 -4.85 120.40 114.40 2wkw s VAL 47 Ca 0.05 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 2wkw s VAL 47 Cb -0.13 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.63 2wkw s VAL 47 CO 0.03 -0.49 0.00 0.47 -0.31 0.00 0.00 175.10 174.80 2wkw n ASP 48 N -0.42 0.00 -4.68 4.85 8.00 -1.23 -0.41 116.55 122.66 2wkw n ASP 48 Ca -0.07 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.07 2wkw n ASP 48 Cb 0.62 -0.09 0.09 0.00 -0.02 0.00 0.00 41.12 41.71 2wkw n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wkw n GLN 49 N -2.00 0.72 -3.97 -1.24 0.00 -1.26 -4.25 117.38 105.37 2wkw n GLN 49 Ca 0.00 0.31 -0.34 0.00 0.00 0.00 0.00 57.00 56.96 2wkw n GLN 49 Cb 0.00 -2.41 -0.15 0.00 0.00 0.00 0.00 30.24 27.68 2wkw n GLN 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 2wkw s MET 50 N -3.51 3.21 0.17 2.61 1.75 0.43 -4.37 119.30 119.58 2wkw s MET 50 Ca 0.78 -0.72 -0.31 0.00 -1.25 0.00 0.00 55.69 54.19 2wkw s MET 50 Cb -0.35 -2.89 -0.09 0.00 2.84 0.00 0.00 34.83 34.34 2wkw s MET 50 CO 0.46 -0.23 1.43 -0.47 -0.65 0.00 0.00 175.02 175.56 2wkw s TYR 51 N 1.41 3.16 -0.07 4.11 5.04 -1.23 -1.03 117.35 128.74 2wkw s TYR 51 Ca 0.05 0.93 0.01 0.00 -2.44 0.00 0.00 57.07 55.62 2wkw s TYR 51 Cb -0.14 -3.76 0.02 0.00 0.35 0.00 0.00 41.96 38.43 2wkw s TYR 51 CO -0.06 -2.61 -0.08 0.08 -1.34 0.00 0.00 175.55 171.53 2wkw s VAL 52 N 0.74 0.91 -0.13 3.14 1.01 -0.11 -1.57 120.40 124.40 2wkw s VAL 52 Ca 0.64 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.32 2wkw s VAL 52 Cb -0.39 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2wkw s VAL 52 CO 0.34 0.32 -0.15 -0.60 0.00 0.00 0.00 175.10 175.01 2wkw s ARG 53 N 1.04 3.32 0.13 2.72 3.52 -0.39 -1.61 118.95 127.68 2wkw s ARG 53 Ca -0.08 -0.72 0.10 0.00 -0.13 0.00 0.00 55.73 54.89 2wkw s ARG 53 Cb -0.14 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 2wkw s ARG 53 CO -0.00 0.19 -0.23 1.52 -0.81 0.00 0.00 175.30 175.96 2wkw s TYR 54 N 0.39 2.04 -0.02 5.12 1.13 0.35 -0.76 117.35 125.61 2wkw s TYR 54 Ca -0.12 -0.40 0.01 0.00 -1.41 0.00 0.00 57.07 55.15 2wkw s TYR 54 Cb -0.16 -1.09 0.01 0.00 -1.10 0.00 0.00 41.96 39.62 2wkw s TYR 54 CO 0.06 0.30 -0.03 -0.65 -2.51 0.00 0.00 175.55 172.72 2wkw s GLN 55 N -2.16 0.41 -0.19 -3.49 -0.21 -0.48 -2.15 119.66 111.39 2wkw s GLN 55 Ca 0.12 -0.08 0.01 0.00 0.02 0.00 0.00 55.36 55.43 2wkw s GLN 55 Cb -0.09 -0.45 0.03 0.00 1.00 0.00 0.00 33.01 33.50 2wkw s GLN 55 CO 0.06 0.01 -0.17 0.42 -2.12 0.00 0.00 175.29 173.48 2wkw s ILE 56 N 0.35 1.97 0.79 1.08 1.01 0.59 -1.27 121.20 125.71 2wkw s ILE 56 Ca -0.04 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 2wkw s ILE 56 Cb -0.07 -1.85 0.07 0.00 0.01 0.00 0.00 42.46 40.62 2wkw s ILE 56 CO -0.01 0.42 1.16 -2.16 0.00 0.00 0.00 174.94 174.35 2wkw s PRO 57 N 1.30 2.14 0.47 2.79 0.04 -1.26 0.05 135.00 140.53 2wkw s PRO 57 Ca 0.03 0.17 -0.23 0.00 0.04 0.00 0.00 61.00 61.00 2wkw s PRO 57 Cb -0.14 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 2wkw s PRO 57 CO -0.11 -1.48 1.25 -0.65 0.04 0.00 0.00 177.00 176.05 2wkw s GLN 58 N -5.53 3.65 -1.38 4.56 -0.21 -1.25 -3.37 119.66 116.12 2wkw s GLN 58 Ca 0.61 2.00 -0.05 0.00 0.02 0.00 0.00 55.36 57.94 2wkw s GLN 58 Cb -0.11 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.44 2wkw s GLN 58 CO 0.49 -0.71 0.42 0.54 -2.12 0.00 0.00 175.29 173.91 2wkw n ARG 59 N -0.46 -2.40 -1.77 2.91 1.74 -1.26 -4.87 116.66 110.55 2wkw n ARG 59 Ca 0.07 0.33 -0.41 0.00 -0.77 0.00 0.00 57.85 57.08 2wkw n ARG 59 Cb 0.46 -4.17 0.00 0.00 -1.02 0.00 0.00 32.46 27.73 2wkw n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wkw n ALA 60 N -4.45 2.26 -1.17 7.54 0.00 -1.22 -4.98 120.51 118.50 2wkw n ALA 60 Ca -0.27 0.33 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 2wkw n ALA 60 Cb 0.67 -2.41 0.11 0.00 0.00 0.00 0.00 19.45 17.82 2wkw n ALA 60 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wkw s LYS 61 N -2.14 1.86 0.27 0.00 1.02 -0.28 -4.92 119.74 115.55 2wkw s LYS 61 Ca 0.54 1.62 0.00 0.00 0.02 0.00 0.00 55.97 58.16 2wkw s LYS 61 Cb -0.48 -1.82 0.56 0.00 -0.52 0.00 0.00 37.83 35.58 2wkw s LYS 61 CO 0.63 -2.01 1.78 -0.09 -0.92 0.00 0.00 175.35 174.73 2wkw h ARG 62 N -0.81 0.70 -5.09 1.68 9.65 -1.93 -3.41 114.38 115.16 2wkw h ARG 62 Ca -0.46 -0.04 -0.65 0.00 -1.10 0.00 0.00 59.98 57.73 2wkw h ARG 62 Cb 1.28 -0.16 -0.26 0.00 -1.39 0.00 0.00 29.97 29.44 2wkw h ARG 62 CO 0.48 0.46 -0.71 0.71 2.80 0.00 0.00 179.97 183.71 2wkw s TYR 63 N -5.95 2.96 0.80 2.20 2.02 -1.26 -5.01 117.35 113.11 2wkw s TYR 63 Ca -0.12 -0.72 -0.11 0.00 -0.37 0.00 0.00 57.07 55.75 2wkw s TYR 63 Cb 0.22 -2.05 0.07 0.00 -0.40 0.00 0.00 41.96 39.80 2wkw s TYR 63 CO 0.79 -0.38 1.09 -2.14 -1.57 0.00 0.00 175.55 173.33 2wkw s PRO 64 N 1.12 2.05 -0.17 -1.71 0.02 -1.26 -4.67 135.00 130.38 2wkw s PRO 64 Ca 0.02 0.90 -0.04 0.00 0.02 0.00 0.00 61.00 61.89 2wkw s PRO 64 Cb -0.15 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 2wkw s PRO 64 CO -0.00 -1.71 -0.02 0.42 -0.33 0.00 0.00 177.00 175.36 2wkw s ILE 65 N -3.00 4.01 -0.26 2.83 1.01 0.15 -1.25 121.20 124.68 2wkw s ILE 65 Ca 0.61 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.85 2wkw s ILE 65 Cb -0.16 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 2wkw s ILE 65 CO 0.56 0.48 0.17 -0.89 0.00 0.00 0.00 174.94 175.25 2wkw s THR 66 N 0.50 5.26 -0.22 2.92 2.01 0.39 -1.03 115.64 125.47 2wkw s THR 66 Ca -0.02 0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.04 2wkw s THR 66 Cb -0.14 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2wkw s THR 66 CO 0.02 0.30 0.10 -0.76 -0.69 0.00 0.00 174.62 173.59 2wkw s LEU 67 N 1.45 3.85 -0.26 4.42 1.43 0.38 -0.74 118.68 129.21 2wkw s LEU 67 Ca 0.07 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2wkw s LEU 67 Cb -0.15 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.14 2wkw s LEU 67 CO 0.08 0.09 0.02 -0.63 0.23 0.00 0.00 176.35 176.14 2wkw s ILE 68 N 0.91 1.18 0.91 -0.59 1.01 0.18 -2.60 121.20 122.18 2wkw s ILE 68 Ca 0.05 -1.24 -0.12 0.00 0.00 0.00 0.00 60.65 59.35 2wkw s ILE 68 Cb -0.13 -1.67 0.13 0.00 0.01 0.00 0.00 42.46 40.80 2wkw s ILE 68 CO 0.03 -0.35 1.10 -1.38 0.00 0.00 0.00 174.94 174.33 2wkw s HIS 69 N 1.52 2.36 0.00 3.97 -3.43 -1.26 -2.84 115.29 115.61 2wkw s HIS 69 Ca 0.02 1.15 0.00 0.00 -0.80 0.00 0.00 55.06 55.42 2wkw s HIS 69 Cb -0.18 -3.20 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 2wkw s HIS 69 CO -0.13 -2.41 0.00 0.41 -2.00 0.00 0.00 174.74 170.61 2wkw n GLY 70 N -1.36 1.88 3.76 -1.38 0.00 -1.22 -4.38 105.19 102.49 2wkw n GLY 70 Ca 0.07 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 2wkw n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkw s LEU 73 N -1.91 0.39 0.00 0.00 1.43 -1.26 -1.14 118.68 116.18 2wkw s LEU 73 Ca 0.00 -1.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 2wkw s LEU 73 Cb 0.00 1.88 -0.00 0.00 0.03 0.00 0.00 46.19 48.10 2wkw s LEU 73 CO 0.00 -1.25 0.03 0.35 0.23 0.00 0.00 176.35 175.71 2wkw n THR 74 N -0.44 0.00 0.32 5.49 -2.24 -1.26 -4.85 114.28 111.30 2wkw n THR 74 Ca -0.02 -0.53 0.16 0.00 -2.27 0.00 0.00 64.05 61.39 2wkw n THR 74 Cb 0.61 0.18 0.86 0.00 -2.10 0.00 0.00 70.33 69.88 2wkw n THR 74 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2wkw h GLY 75 N 0.35 0.00 -0.25 3.38 0.00 -1.94 -1.34 103.07 103.27 2wkw h GLY 75 Ca -0.07 0.00 0.33 0.00 0.00 0.00 0.00 47.33 47.58 2wkw h GLY 75 CO 0.11 0.00 0.81 1.98 0.00 0.00 0.00 176.54 179.44 2wkw h MET 76 N 0.00 0.00 -0.94 4.80 1.85 -1.95 -2.21 114.93 116.48 2wkw h MET 76 Ca 0.00 0.00 0.26 0.00 -0.61 0.00 0.00 59.70 59.35 2wkw h MET 76 Cb 0.50 0.00 -0.17 0.00 0.43 0.00 0.00 31.60 32.36 2wkw h MET 76 CO 0.00 0.00 0.04 2.41 -0.40 0.00 0.00 176.91 178.96 2wkw n THR 77 N -4.20 -0.39 1.15 -0.77 -1.04 -0.51 -1.38 114.28 107.14 2wkw n THR 77 Ca 0.24 2.06 0.12 0.00 -2.04 0.00 0.00 64.05 64.43 2wkw n THR 77 Cb 1.19 -3.01 0.22 0.00 -1.82 0.00 0.00 70.33 66.90 2wkw n THR 77 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2wkw n TRP 78 N -5.38 0.00 -0.53 -1.42 7.02 -0.83 -4.80 117.44 111.50 2wkw n TRP 78 Ca 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.71 2wkw n TRP 78 Cb 0.74 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.57 2wkw n TRP 78 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2wkw n GLU 79 N -0.31 2.35 -1.59 -0.99 1.02 -0.48 -1.71 120.64 118.93 2wkw n GLU 79 Ca 0.11 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.76 2wkw n GLU 79 Cb 0.40 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.78 2wkw n GLU 79 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2wkw n THR 80 N 0.00 0.62 -0.99 2.62 -1.04 -1.26 -3.72 114.28 110.51 2wkw n THR 80 Ca 0.00 -0.16 -0.31 0.00 -2.04 0.00 0.00 64.05 61.55 2wkw n THR 80 Cb 0.00 -0.93 0.14 0.00 -1.82 0.00 0.00 70.33 67.71 2wkw n THR 80 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2wkw s THR 81 N 0.05 2.68 0.53 12.58 -4.23 -0.37 -4.85 115.64 122.03 2wkw s THR 81 Ca 0.76 0.22 0.26 0.00 -1.18 0.00 0.00 61.69 61.74 2wkw s THR 81 Cb -0.85 -2.50 0.40 0.00 1.34 0.00 0.00 72.50 70.89 2wkw s THR 81 CO 0.50 -0.29 1.99 -0.65 -0.54 0.00 0.00 174.62 175.63 2wkw h PRO 82 N -1.56 0.00 -0.56 3.99 0.11 -1.91 -0.35 132.00 131.72 2wkw h PRO 82 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wkw h PRO 82 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2wkw h PRO 82 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 2wkw n ASP 83 N -4.36 3.08 0.00 -2.05 5.75 -1.26 -4.81 116.55 112.91 2wkw n ASP 83 Ca 0.10 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 2wkw n ASP 83 Cb 0.62 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 2wkw n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wkw n GLY 84 N 1.20 0.80 3.99 6.12 0.00 -0.14 -5.08 105.19 112.08 2wkw n GLY 84 Ca 0.18 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2wkw n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkw s ARG 85 N -0.67 3.01 0.28 1.61 0.52 -1.26 -4.83 118.95 117.61 2wkw s ARG 85 Ca 0.00 -1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 53.88 2wkw s ARG 85 Cb 0.00 -2.77 -0.12 0.00 0.52 0.00 0.00 34.95 32.58 2wkw s ARG 85 CO 0.00 -0.09 1.55 -0.12 0.02 0.00 0.00 175.30 176.66 2wkw n MET 86 N -1.76 2.55 -2.90 3.54 0.00 -1.26 -1.23 117.12 116.05 2wkw n MET 86 Ca 0.03 0.91 -0.20 0.00 -0.00 0.00 0.00 57.70 58.43 2wkw n MET 86 Cb 0.58 -2.66 0.06 0.00 0.00 0.00 0.00 33.22 31.21 2wkw n MET 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2wkw s GLY 87 N 0.46 1.77 0.40 -5.12 0.00 -1.24 -4.63 107.32 98.96 2wkw s GLY 87 Ca 0.65 -1.95 0.09 0.00 0.00 0.00 0.00 44.72 43.52 2wkw s GLY 87 CO 0.48 -1.50 1.97 1.49 0.00 0.00 0.00 173.10 175.54 2wkw h TRP 88 N 0.06 0.30 0.44 1.90 4.06 -1.72 -1.57 115.95 119.42 2wkw h TRP 88 Ca -0.33 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.58 2wkw h TRP 88 Cb 1.28 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 2wkw h TRP 88 CO 0.27 0.33 -0.31 0.22 -3.56 0.00 0.00 178.44 175.40 2wkw h ASP 89 N 0.30 -0.78 -0.82 -3.49 3.58 -1.66 0.17 116.42 113.71 2wkw h ASP 89 Ca 0.07 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2wkw h ASP 89 Cb 0.24 0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 2wkw h ASP 89 CO 0.01 -0.47 0.39 -0.08 -2.88 0.00 0.00 179.24 176.21 2wkw h GLU 90 N -0.73 1.20 -0.13 0.28 4.81 -1.78 -2.73 114.58 115.50 2wkw h GLU 90 Ca -0.05 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2wkw h GLU 90 Cb 0.61 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2wkw h GLU 90 CO 0.02 0.92 0.02 -0.92 -0.73 0.00 0.00 179.01 178.32 2wkw h TYR 91 N 1.18 0.24 -0.76 0.92 3.20 -1.04 -1.53 116.97 119.19 2wkw h TYR 91 Ca 0.28 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.19 2wkw h TYR 91 Cb 0.13 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 2wkw h TYR 91 CO 0.02 0.42 0.44 0.74 -1.64 0.00 0.00 178.16 178.13 2wkw h PHE 92 N -0.01 0.80 -0.37 -3.82 -1.00 -0.62 -1.17 116.94 110.75 2wkw h PHE 92 Ca 0.04 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.89 2wkw h PHE 92 Cb 0.32 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.59 2wkw h PHE 92 CO 0.02 0.37 0.14 1.25 -1.61 0.00 0.00 178.31 178.48 2wkw h LEU 93 N 0.78 0.16 -1.62 1.54 5.85 -1.30 -0.83 115.31 119.89 2wkw h LEU 93 Ca 0.34 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 2wkw h LEU 93 Cb 0.23 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2wkw h LEU 93 CO -0.20 0.13 -0.20 0.03 -0.34 0.00 0.00 178.44 177.86 2wkw h ARG 94 N 0.30 0.00 -0.25 1.25 3.08 -0.41 -0.82 114.38 117.53 2wkw h ARG 94 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2wkw h ARG 94 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2wkw h ARG 94 CO -0.16 0.20 0.00 1.63 -1.07 0.00 0.00 179.97 180.57 2wkw n LYS 95 N -3.76 1.67 -0.68 0.04 4.76 -0.53 -4.92 118.16 114.74 2wkw n LYS 95 Ca -0.02 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.39 2wkw n LYS 95 Cb 0.31 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 2wkw n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wkw n GLY 96 N 1.01 0.61 3.76 0.72 0.00 -0.31 -4.98 105.19 106.00 2wkw n GLY 96 Ca 0.12 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 2wkw n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wkw s TYR 97 N -2.00 3.48 0.28 1.61 1.51 -0.38 -1.12 117.35 120.73 2wkw s TYR 97 Ca 0.00 0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 56.25 2wkw s TYR 97 Cb 0.00 -2.18 -0.10 0.00 -0.11 0.00 0.00 41.96 39.57 2wkw s TYR 97 CO 0.00 0.38 1.26 -1.12 -1.11 0.00 0.00 175.55 174.96 2wkw s SER 98 N 0.04 6.92 -0.03 2.29 0.01 -1.26 -3.51 113.70 118.16 2wkw s SER 98 Ca 0.13 2.50 0.06 0.00 1.31 0.00 0.00 55.95 59.95 2wkw s SER 98 Cb -0.12 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 2wkw s SER 98 CO 0.02 -0.44 -0.21 0.42 0.41 0.00 0.00 173.24 173.43 2wkw s THR 99 N -0.75 1.70 -0.24 1.44 -4.23 -0.40 -0.68 115.64 112.49 2wkw s THR 99 Ca 0.50 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 2wkw s THR 99 Cb -0.37 -1.42 0.05 0.00 1.34 0.00 0.00 72.50 72.10 2wkw s THR 99 CO 0.46 0.48 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.58 2wkw s TYR 100 N -0.35 3.05 -0.23 3.99 1.51 -0.20 -1.38 117.35 123.74 2wkw s TYR 100 Ca 0.04 -2.10 -0.05 0.00 -1.01 0.00 0.00 57.07 53.95 2wkw s TYR 100 Cb -0.10 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.85 2wkw s TYR 100 CO 0.00 -0.85 0.00 0.08 -1.11 0.00 0.00 175.55 173.68 2wkw s VAL 101 N 1.18 3.81 0.25 0.71 1.01 0.06 -0.47 120.40 126.95 2wkw s VAL 101 Ca -0.05 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2wkw s VAL 101 Cb -0.18 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2wkw s VAL 101 CO -0.07 0.39 0.35 0.27 0.00 0.00 0.00 175.10 176.05 2wkw s ILE 102 N 1.43 5.07 -0.20 2.22 -4.36 -1.07 -1.27 121.20 123.02 2wkw s ILE 102 Ca 0.05 -1.04 -0.06 0.00 -0.26 0.00 0.00 60.65 59.34 2wkw s ILE 102 Cb -0.15 -3.77 -0.03 0.00 1.25 0.00 0.00 42.46 39.76 2wkw s ILE 102 CO 0.00 -0.32 0.03 -1.81 0.24 0.00 0.00 174.94 173.08 2wkw s ASP 103 N -3.98 5.16 0.52 4.36 1.01 -0.61 -3.36 116.67 119.77 2wkw s ASP 103 Ca 0.35 -0.09 -0.20 0.00 0.71 0.00 0.00 52.55 53.31 2wkw s ASP 103 Cb -0.09 -1.88 -0.09 0.00 1.01 0.00 0.00 42.92 41.87 2wkw s ASP 103 CO 0.29 0.10 0.70 0.00 0.21 0.00 0.00 175.17 176.47 2wkw n GLN 104 N 4.01 0.75 -1.47 8.23 6.02 -1.26 -3.53 117.38 130.12 2wkw n GLN 104 Ca -0.17 0.28 -0.54 0.00 -0.01 0.00 0.00 57.00 56.56 2wkw n GLN 104 Cb 0.52 -1.81 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 2wkw n GLN 104 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2wkw n SER 105 N 0.41 -0.29 -0.45 1.08 7.64 -1.26 -1.36 113.62 119.38 2wkw n SER 105 Ca 0.12 1.15 -0.06 0.00 1.01 0.00 0.00 58.87 61.08 2wkw n SER 105 Cb 0.44 -0.96 -0.03 0.00 -1.01 0.00 0.00 64.21 62.66 2wkw n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wkw n GLY 106 N 1.72 0.82 3.00 0.23 0.00 -1.19 -4.91 105.19 104.86 2wkw n GLY 106 Ca 0.19 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 2wkw n GLY 106 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wkw s ARG 107 N -2.21 0.37 6.50 1.61 6.06 -0.47 -4.38 118.95 126.44 2wkw s ARG 107 Ca 0.00 -0.63 0.00 0.00 -2.50 0.00 0.00 55.73 52.60 2wkw s ARG 107 Cb 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 34.95 34.98 2wkw s ARG 107 CO 0.00 -0.01 0.00 0.41 -2.50 0.00 0.00 175.30 173.20 2wkw n GLY 108 N 1.62 3.74 0.25 8.12 0.00 -1.26 -1.14 105.19 116.51 2wkw n GLY 108 Ca -0.23 0.07 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2wkw n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wkw n ARG 109 N 14.00 1.34 -3.25 1.61 1.74 -1.26 -4.74 116.66 126.09 2wkw n ARG 109 Ca 0.00 -0.50 -0.40 0.00 -0.77 0.00 0.00 57.85 56.18 2wkw n ARG 109 Cb 0.00 -1.42 -0.08 0.00 -1.02 0.00 0.00 32.46 29.94 2wkw n ARG 109 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2wkw s SER 110 N -1.81 6.36 0.28 0.55 0.01 -0.29 -4.78 113.70 114.03 2wkw s SER 110 Ca 0.37 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.57 2wkw s SER 110 Cb 0.19 -2.27 -0.11 0.00 0.21 0.00 0.00 66.02 64.03 2wkw s SER 110 CO 0.30 -0.37 1.60 0.00 0.41 0.00 0.00 173.24 175.18 2wkw s ALA 111 N 2.34 3.76 0.71 1.44 0.00 -1.26 -2.68 121.76 126.06 2wkw s ALA 111 Ca 0.19 1.57 -0.04 0.00 0.00 0.00 0.00 51.96 53.68 2wkw s ALA 111 Cb -0.15 -3.65 0.09 0.00 0.00 0.00 0.00 23.12 19.40 2wkw s ALA 111 CO 0.11 -0.97 0.99 0.95 0.00 0.00 0.00 175.76 176.84 2wkw s THR 112 N 0.12 2.29 -0.23 0.00 -4.23 -1.26 -3.48 115.64 108.85 2wkw s THR 112 Ca 0.64 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.69 2wkw s THR 112 Cb -0.48 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 2wkw s THR 112 CO 0.46 0.00 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.90 2wkw s ASP 113 N -4.61 4.44 0.00 3.99 2.15 -1.26 -4.90 116.67 116.49 2wkw s ASP 113 Ca 0.63 -0.43 0.18 0.00 0.43 0.00 0.00 52.55 53.36 2wkw s ASP 113 Cb -0.08 -1.76 0.52 0.00 -0.30 0.00 0.00 42.92 41.30 2wkw s ASP 113 CO 0.44 -0.04 1.43 2.30 -0.17 0.00 0.00 175.17 179.13 2wkw n ILE 114 N 4.81 0.79 -0.09 4.11 -6.64 -1.26 -4.60 119.36 116.47 2wkw n ILE 114 Ca -0.18 -0.79 -0.07 0.00 -1.77 0.00 0.00 62.75 59.94 2wkw n ILE 114 Cb 0.50 0.40 0.00 0.00 -1.44 0.00 0.00 39.64 39.10 2wkw n ILE 114 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 2wkw h SER 115 N 3.46 0.17 -0.47 7.28 0.02 -1.94 -2.41 113.55 119.65 2wkw h SER 115 Ca 0.00 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2wkw h SER 115 Cb 0.79 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 2wkw h SER 115 CO 0.00 0.13 0.06 0.00 -1.14 0.00 0.00 176.83 175.88 2wkw h ALA 116 N 1.19 1.10 0.09 3.77 0.00 -1.90 0.32 119.26 123.83 2wkw h ALA 116 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wkw h ALA 116 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2wkw h ALA 116 CO -0.12 0.58 -0.04 0.82 0.00 0.00 0.00 179.25 180.49 2wkw h ILE 117 N 0.81 0.95 -0.27 0.00 2.04 -1.80 -1.72 117.51 117.53 2wkw h ILE 117 Ca 0.16 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2wkw h ILE 117 Cb 0.41 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2wkw h ILE 117 CO 0.01 0.04 -0.13 0.78 0.00 0.00 0.00 178.15 178.85 2wkw h ASN 118 N -0.20 0.44 -0.57 1.72 2.35 -1.32 -2.09 115.58 115.91 2wkw h ASN 118 Ca -0.01 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 2wkw h ASN 118 Cb 0.16 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 2wkw h ASN 118 CO 0.02 0.61 0.31 0.00 -1.65 0.00 0.00 177.43 176.72 2wkw h ALA 119 N 1.44 0.74 -0.22 -0.83 0.00 -0.67 0.95 119.26 120.67 2wkw h ALA 119 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2wkw h ALA 119 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wkw h ALA 119 CO 0.03 -0.01 0.02 0.28 0.00 0.00 0.00 179.25 179.57 2wkw h VAL 120 N 0.60 1.24 -0.07 0.00 2.07 -0.84 0.70 116.25 119.96 2wkw h VAL 120 Ca 0.25 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2wkw h VAL 120 Cb 0.12 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2wkw h VAL 120 CO -0.15 0.25 -0.00 0.50 0.02 0.00 0.00 177.57 178.19 2wkw h LYS 121 N 0.16 0.09 -0.00 1.57 3.64 -1.06 -2.23 116.57 118.74 2wkw h LYS 121 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2wkw h LYS 121 Cb 0.35 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2wkw h LYS 121 CO 0.01 0.11 -0.26 1.28 -2.27 0.00 0.00 179.45 178.31 2wkw n LEU 122 N -4.48 0.51 0.00 5.20 4.77 0.30 -4.95 117.00 118.36 2wkw n LEU 122 Ca -0.02 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2wkw n LEU 122 Cb 0.12 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2wkw n LEU 122 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2wkw n GLY 123 N 1.41 0.85 0.42 -0.72 0.00 -0.63 -4.93 105.19 101.58 2wkw n GLY 123 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 2wkw n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wkw n LYS 124 N -2.16 1.44 -3.61 1.61 5.02 0.14 -4.86 118.16 115.74 2wkw n LYS 124 Ca 0.00 -0.50 -0.06 0.00 -2.02 0.00 0.00 58.31 55.73 2wkw n LYS 124 Cb 0.00 -1.29 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 2wkw n LYS 124 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wkw s ALA 125 N -1.65 -2.04 0.60 7.82 0.00 -1.20 -4.88 121.76 120.42 2wkw s ALA 125 Ca 0.09 1.76 -0.13 0.00 0.00 0.00 0.00 51.96 53.68 2wkw s ALA 125 Cb 0.06 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2wkw s ALA 125 CO 0.05 -0.27 1.03 -1.25 0.00 0.00 0.00 175.76 175.32 2wkw s PRO 126 N -1.03 3.55 0.48 0.00 0.04 -1.26 -4.26 135.00 132.52 2wkw s PRO 126 Ca 0.04 0.87 0.20 0.00 0.04 0.00 0.00 61.00 62.16 2wkw s PRO 126 Cb -0.01 -2.07 1.11 0.00 0.04 0.00 0.00 34.50 33.57 2wkw s PRO 126 CO -0.04 -0.61 1.57 0.00 0.04 0.00 0.00 177.00 177.97 2wkw h ALA 127 N -0.02 1.27 0.00 8.56 0.00 -1.98 0.54 119.26 127.64 2wkw h ALA 127 Ca -0.45 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2wkw h ALA 127 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2wkw h ALA 127 CO 0.61 -0.27 -0.45 0.66 0.00 0.00 0.00 179.25 179.80 2wkw h SER 128 N 0.00 0.00 0.56 0.00 4.64 -2.01 -2.09 113.55 114.66 2wkw h SER 128 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wkw h SER 128 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2wkw h SER 128 CO 0.00 0.45 0.00 -1.20 -0.87 0.00 0.00 176.83 175.21 2wkw n SER 129 N -3.43 0.61 -4.77 4.97 7.64 0.18 -4.81 113.62 114.01 2wkw n SER 129 Ca 0.00 0.68 -0.41 0.00 1.01 0.00 0.00 58.87 60.15 2wkw n SER 129 Cb 0.60 -0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2wkw n SER 129 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wkw s LEU 130 N -4.41 4.32 0.51 -3.43 1.43 -0.79 -4.82 118.68 111.50 2wkw s LEU 130 Ca 0.03 3.04 -0.21 0.00 -1.03 0.00 0.00 54.13 55.96 2wkw s LEU 130 Cb 0.09 -3.66 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 2wkw s LEU 130 CO 0.34 -0.88 1.12 -2.16 0.23 0.00 0.00 176.35 175.00 2wkw s PRO 131 N -1.82 3.55 -0.29 1.29 0.04 -1.26 -4.97 135.00 131.54 2wkw s PRO 131 Ca 0.55 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 2wkw s PRO 131 Cb -0.47 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2wkw s PRO 131 CO 0.61 -0.69 1.51 -0.51 0.04 0.00 0.00 177.00 177.96 2wkw s ASP 132 N -1.69 6.39 0.18 6.66 1.01 -1.26 -4.97 116.67 123.00 2wkw s ASP 132 Ca 0.69 1.32 0.11 0.00 0.71 0.00 0.00 52.55 55.38 2wkw s ASP 132 Cb -0.24 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 2wkw s ASP 132 CO 0.28 -1.30 -0.23 -0.76 0.21 0.00 0.00 175.17 173.38 2wkw s LEU 133 N 5.22 2.43 -0.07 1.23 1.43 -1.26 -3.37 118.68 124.28 2wkw s LEU 133 Ca 0.66 -0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2wkw s LEU 133 Cb -0.20 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 44.96 2wkw s LEU 133 CO 0.29 0.08 0.23 0.12 0.23 0.00 0.00 176.35 177.30 2wkw s PHE 134 N -1.74 -0.22 0.00 0.29 2.19 -0.98 -5.01 117.98 112.51 2wkw s PHE 134 Ca 0.19 0.52 0.01 0.00 0.33 0.00 0.00 56.93 57.98 2wkw s PHE 134 Cb -0.07 0.07 -0.00 0.00 -1.31 0.00 0.00 43.02 41.70 2wkw s PHE 134 CO 0.09 -0.16 -0.03 0.00 1.83 0.00 0.00 175.22 176.95 2wkw s ALA 135 N -0.15 0.25 -0.16 11.12 0.00 -1.26 0.53 121.76 132.08 2wkw s ALA 135 Ca -0.03 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.55 2wkw s ALA 135 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2wkw s ALA 135 CO 0.01 0.05 0.63 0.00 0.00 0.00 0.00 175.76 176.44 2wkw s ALA 136 N -0.19 3.50 0.64 0.00 0.00 -1.26 -5.06 121.76 119.39 2wkw s ALA 136 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 2wkw s ALA 136 Cb -0.02 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 2wkw s ALA 136 CO -0.00 -0.40 1.05 0.20 0.00 0.00 0.00 175.76 176.60 2wkw s GLY 137 N 1.05 1.85 0.24 0.00 0.00 -1.26 -4.90 107.32 104.30 2wkw s GLY 137 Ca 0.30 0.18 -0.07 0.00 0.00 0.00 0.00 44.72 45.13 2wkw s GLY 137 CO 0.12 0.48 1.88 0.45 0.00 0.00 0.00 173.10 176.04 2wkw h HIS 138 N -0.17 1.24 0.05 1.90 3.86 -1.99 -1.49 115.15 118.55 2wkw h HIS 138 Ca -0.45 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2wkw h HIS 138 Cb 1.21 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 29.27 2wkw h HIS 138 CO 0.61 0.82 -0.02 0.93 0.86 0.00 0.00 177.93 181.13 2wkw h GLU 139 N 1.29 -0.06 -0.33 2.45 3.07 -1.99 -1.09 114.58 117.92 2wkw h GLU 139 Ca 0.34 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.17 2wkw h GLU 139 Cb -0.05 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2wkw h GLU 139 CO -0.06 0.21 0.09 0.00 -1.40 0.00 0.00 179.01 177.85 2wkw h ALA 140 N 0.60 0.44 -0.67 3.43 0.00 -1.93 -3.09 119.26 118.04 2wkw h ALA 140 Ca -0.01 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.85 2wkw h ALA 140 Cb 0.30 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2wkw h ALA 140 CO 0.01 0.09 0.25 0.00 0.00 0.00 0.00 179.25 179.61 2wkw h ALA 141 N 0.93 0.89 -0.63 0.00 0.00 -1.20 -1.65 119.26 117.60 2wkw h ALA 141 Ca 0.11 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2wkw h ALA 141 Cb 0.27 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.01 2wkw h ALA 141 CO -0.00 -0.19 -0.22 2.35 0.00 0.00 0.00 179.25 181.19 2wkw h TRP 142 N 0.43 -0.54 -0.11 0.00 2.91 -1.11 0.24 115.95 117.76 2wkw h TRP 142 Ca 0.35 0.06 -0.23 0.00 1.13 0.00 0.00 58.89 60.20 2wkw h TRP 142 Cb 0.46 0.34 0.01 0.00 -0.51 0.00 0.00 29.16 29.46 2wkw h TRP 142 CO -0.17 -0.32 -0.83 0.00 -1.03 0.00 0.00 178.44 176.09 2wkw h ALA 143 N 1.43 0.32 -0.64 2.65 0.00 -1.49 -2.41 119.26 119.12 2wkw h ALA 143 Ca 0.29 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2wkw h ALA 143 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2wkw h ALA 143 CO -0.68 0.70 0.20 0.82 0.00 0.00 0.00 179.25 180.29 2wkw h ILE 144 N 0.47 1.24 0.00 0.00 2.04 -0.88 -2.01 117.51 118.38 2wkw h ILE 144 Ca -0.07 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2wkw h ILE 144 Cb 1.46 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2wkw h ILE 144 CO 0.16 0.32 0.00 0.49 0.00 0.00 0.00 178.15 179.12 2wkw n PHE 145 N -4.27 0.26 -3.51 1.37 3.72 0.80 -4.82 117.46 111.01 2wkw n PHE 145 Ca 0.05 0.09 -0.22 0.00 -0.05 0.00 0.00 57.45 57.32 2wkw n PHE 145 Cb 0.21 -0.65 0.07 0.00 -0.94 0.00 0.00 39.48 38.18 2wkw n PHE 145 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2wkw n ARG 146 N -1.73 -7.35 0.15 -1.08 1.74 -0.76 -1.45 116.66 106.19 2wkw n ARG 146 Ca 0.04 0.76 0.01 0.00 -0.77 0.00 0.00 57.85 57.89 2wkw n ARG 146 Cb 0.25 -5.62 0.21 0.00 -1.02 0.00 0.00 32.46 26.27 2wkw n ARG 146 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2wkw h PHE 147 N -2.49 0.00 -1.79 -1.55 0.04 -1.71 -3.45 116.94 105.99 2wkw h PHE 147 Ca -0.52 0.00 0.33 0.00 2.80 0.00 0.00 57.97 60.57 2wkw h PHE 147 Cb 1.34 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.40 2wkw h PHE 147 CO 0.46 0.55 0.86 0.20 -0.60 0.00 0.00 178.31 179.78 2wkw s GLY 148 N -4.44 -0.26 0.23 -1.45 0.00 -1.25 -1.00 107.32 99.15 2wkw s GLY 148 Ca -0.01 0.35 -0.06 0.00 0.00 0.00 0.00 44.72 45.01 2wkw s GLY 148 CO 0.74 2.73 1.75 -0.56 0.00 0.00 0.00 173.10 177.77 2wkw h PRO 149 N 2.00 1.05 -2.84 2.90 0.13 -1.92 -3.42 132.00 129.90 2wkw h PRO 149 Ca -0.27 -0.24 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2wkw h PRO 149 Cb 1.19 -0.15 -0.17 0.00 0.13 0.00 0.00 31.00 32.01 2wkw h PRO 149 CO 0.30 0.92 -0.07 -0.98 -0.23 0.00 0.00 178.00 177.94 2wkw s ARG 150 N -5.29 0.91 0.31 0.86 1.70 -1.26 -4.85 118.95 111.34 2wkw s ARG 150 Ca -0.11 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 2wkw s ARG 150 Cb 0.15 0.41 -0.11 0.00 -0.57 0.00 0.00 34.95 34.83 2wkw s ARG 150 CO 0.83 -0.30 1.58 0.98 -1.08 0.00 0.00 175.30 177.31 2wkw n TYR 151 N 0.69 2.91 -1.48 5.89 9.36 -1.26 -0.03 117.16 133.23 2wkw n TYR 151 Ca -0.19 0.29 -0.25 0.00 3.32 0.00 0.00 57.90 61.06 2wkw n TYR 151 Cb 0.59 -2.59 0.11 0.00 -0.63 0.00 0.00 39.34 36.82 2wkw n TYR 151 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2wkw n PRO 152 N 1.81 2.65 -3.26 2.98 -0.04 -1.26 -5.10 135.00 132.78 2wkw n PRO 152 Ca 0.07 -3.41 -0.39 0.00 -0.04 0.00 0.00 63.50 59.73 2wkw n PRO 152 Cb 0.37 -2.18 -0.07 0.00 -0.04 0.00 0.00 33.50 31.58 2wkw n PRO 152 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wkw s ASP 153 N -2.24 6.56 0.04 3.54 1.01 0.96 -5.06 116.67 121.49 2wkw s ASP 153 Ca 0.57 0.67 -0.09 0.00 0.71 0.00 0.00 52.55 54.41 2wkw s ASP 153 Cb 0.47 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 42.06 2wkw s ASP 153 CO 0.02 -0.16 0.35 0.00 0.21 0.00 0.00 175.17 175.59 2wkw s ALA 154 N 1.55 3.77 0.38 5.23 0.00 -1.26 -3.77 121.76 127.66 2wkw s ALA 154 Ca 0.24 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.49 2wkw s ALA 154 Cb -0.15 -2.20 -0.11 0.00 0.00 0.00 0.00 23.12 20.66 2wkw s ALA 154 CO 0.09 0.59 1.24 1.19 0.00 0.00 0.00 175.76 178.88 2wkw n PHE 155 N 1.06 2.08 0.08 0.00 3.72 -0.17 -4.89 117.46 119.34 2wkw n PHE 155 Ca -0.10 0.54 0.05 0.00 -0.05 0.00 0.00 57.45 57.89 2wkw n PHE 155 Cb 0.53 -2.38 0.48 0.00 -0.94 0.00 0.00 39.48 37.17 2wkw n PHE 155 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2wkw h LYS 156 N 2.25 0.36 -0.69 -1.08 1.57 -1.98 -2.68 116.57 114.32 2wkw h LYS 156 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2wkw h LYS 156 Cb 1.29 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2wkw h LYS 156 CO 0.61 0.26 0.00 -0.40 -0.57 0.00 0.00 179.45 179.34 2wkw n ASP 157 N -4.48 4.51 -4.75 0.86 5.75 -1.26 -5.00 116.55 112.18 2wkw n ASP 157 Ca 0.01 -2.30 -0.42 0.00 -0.01 0.00 0.00 54.79 52.07 2wkw n ASP 157 Cb 0.08 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 39.60 2wkw n ASP 157 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2wkw s THR 158 N -1.59 2.06 -0.86 2.12 -1.32 -1.01 -4.31 115.64 110.72 2wkw s THR 158 Ca 0.51 0.05 0.27 0.00 -1.21 0.00 0.00 61.69 61.31 2wkw s THR 158 Cb 0.31 -3.03 0.25 0.00 -1.51 0.00 0.00 72.50 68.52 2wkw s THR 158 CO 0.28 0.01 1.83 0.00 -2.21 0.00 0.00 174.62 174.52 2wkw n GLN 159 N 2.45 0.13 -2.46 7.08 1.13 0.59 -4.87 117.38 121.43 2wkw n GLN 159 Ca 0.09 0.10 -0.41 0.00 -1.94 0.00 0.00 57.00 54.84 2wkw n GLN 159 Cb 0.37 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 2wkw n GLN 159 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2wkw s PHE 160 N -3.05 3.51 -0.93 1.08 5.36 -1.26 0.37 117.98 123.05 2wkw s PHE 160 Ca 0.12 1.49 -0.22 0.00 -0.96 0.00 0.00 56.93 57.36 2wkw s PHE 160 Cb 0.16 -3.35 -0.13 0.00 -0.34 0.00 0.00 43.02 39.36 2wkw s PHE 160 CO 0.57 -0.90 1.93 -0.35 -1.46 0.00 0.00 175.22 175.00 2wkw n PRO 161 N 2.72 1.60 0.33 10.12 -0.04 -1.26 -4.74 135.00 143.72 2wkw n PRO 161 Ca 0.04 -2.11 0.21 0.00 -0.04 0.00 0.00 63.50 61.61 2wkw n PRO 161 Cb 0.46 -3.22 1.16 0.00 -0.04 0.00 0.00 33.50 31.86 2wkw n PRO 161 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2wkw h VAL 162 N 5.09 0.11 0.00 0.52 -1.51 -1.94 0.26 116.25 118.78 2wkw h VAL 162 Ca 0.35 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.82 2wkw h VAL 162 Cb 0.77 1.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2wkw h VAL 162 CO 1.69 0.00 -0.00 0.06 -1.23 0.00 0.00 177.57 178.09 2wkw h GLN 163 N 0.00 0.00 -0.75 5.19 -0.00 -2.03 -2.29 115.11 115.23 2wkw h GLN 163 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.33 2wkw h GLN 163 Cb 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 27.48 27.29 2wkw h GLN 163 CO -0.00 0.00 0.35 0.00 -0.00 0.00 0.00 178.83 179.19 2wkw n ALA 164 N -2.09 4.86 -0.33 0.06 0.00 0.90 -4.66 120.51 119.26 2wkw n ALA 164 Ca -0.02 -2.70 0.05 0.00 0.00 0.00 0.00 53.44 50.76 2wkw n ALA 164 Cb 0.15 -1.21 0.20 0.00 0.00 0.00 0.00 19.45 18.59 2wkw n ALA 164 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2wkw h GLN 165 N 1.67 0.89 -0.78 0.00 3.07 -1.53 -1.57 115.11 116.86 2wkw h GLN 165 Ca 0.39 -0.05 0.01 0.00 0.09 0.00 0.00 58.65 59.09 2wkw h GLN 165 Cb 2.39 -0.20 -0.04 0.00 0.08 0.00 0.00 27.48 29.72 2wkw h GLN 165 CO 0.80 0.59 0.52 0.00 0.09 0.00 0.00 178.83 180.83 2wkw h ALA 166 N 1.49 1.44 -0.30 0.06 0.00 -1.86 -1.73 119.26 118.36 2wkw h ALA 166 Ca 0.44 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.15 2wkw h ALA 166 Cb 0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2wkw h ALA 166 CO -0.25 0.52 -0.42 0.93 0.00 0.00 0.00 179.25 180.03 2wkw h GLU 167 N 1.06 0.74 -0.50 0.00 3.07 -1.66 -2.65 114.58 114.64 2wkw h GLU 167 Ca 0.29 -0.40 0.03 0.00 -0.50 0.00 0.00 59.36 58.78 2wkw h GLU 167 Cb -0.12 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 2wkw h GLU 167 CO -0.06 1.02 0.28 1.25 -1.40 0.00 0.00 179.01 180.10 2wkw h LEU 168 N 0.60 0.42 -1.39 1.33 5.85 -0.83 -2.62 115.31 118.67 2wkw h LEU 168 Ca 0.04 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2wkw h LEU 168 Cb 0.97 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 2wkw h LEU 168 CO 0.09 0.29 0.30 -0.50 -0.34 0.00 0.00 178.44 178.28 2wkw h TRP 169 N 0.54 0.69 -0.56 1.25 -0.00 -1.20 -1.39 115.95 115.27 2wkw h TRP 169 Ca 0.21 -0.00 0.13 0.00 -0.00 0.00 0.00 58.89 59.23 2wkw h TRP 169 Cb 0.08 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 28.98 2wkw h TRP 169 CO -0.08 0.48 0.39 1.96 -0.00 0.00 0.00 178.44 181.18 2wkw h GLN 170 N 0.72 0.19 -0.02 0.49 4.20 -1.10 -2.64 115.11 116.95 2wkw h GLN 170 Ca 0.19 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2wkw h GLN 170 Cb 0.00 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2wkw h GLN 170 CO -0.03 0.13 -0.06 0.00 -0.67 0.00 0.00 178.83 178.19 2wkw n GLN 171 N -4.43 1.60 -3.22 1.46 10.64 -0.53 -4.89 117.38 118.00 2wkw n GLN 171 Ca 0.10 -1.02 -0.39 0.00 -1.83 0.00 0.00 57.00 53.86 2wkw n GLN 171 Cb 0.50 -1.48 -0.06 0.00 -0.86 0.00 0.00 30.24 28.34 2wkw n GLN 171 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 2wkw s MET 172 N -2.11 4.30 0.13 2.61 -1.94 -1.00 -4.36 119.30 116.93 2wkw s MET 172 Ca 0.33 0.72 0.03 0.00 -1.71 0.00 0.00 55.69 55.06 2wkw s MET 172 Cb 0.20 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 2wkw s MET 172 CO 0.37 0.40 -0.08 0.14 -0.01 0.00 0.00 175.02 175.84 2wkw s VAL 173 N -0.28 0.95 0.57 -6.03 -7.23 -0.30 -4.96 120.40 103.12 2wkw s VAL 173 Ca 0.30 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.27 2wkw s VAL 173 Cb -0.18 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.89 2wkw s VAL 173 CO 0.17 -0.77 1.01 -2.65 -0.31 0.00 0.00 175.10 172.55 2wkw n PRO 174 N -0.14 1.04 -4.59 4.82 -0.02 -1.26 -4.29 135.00 130.56 2wkw n PRO 174 Ca -0.11 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 2wkw n PRO 174 Cb 0.61 -2.19 -0.16 0.00 -0.02 0.00 0.00 33.50 31.73 2wkw n PRO 174 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wkw s ASP 175 N -1.14 3.03 0.00 2.55 -1.08 0.19 -4.81 116.67 115.41 2wkw s ASP 175 Ca 0.74 -0.59 0.22 0.00 -0.52 0.00 0.00 52.55 52.40 2wkw s ASP 175 Cb -0.43 -1.40 0.56 0.00 -1.46 0.00 0.00 42.92 40.18 2wkw s ASP 175 CO 0.49 0.06 1.48 0.79 0.52 0.00 0.00 175.17 178.51 2wkw n TRP 176 N 4.15 0.78 -0.24 -5.34 7.02 -1.26 -2.31 117.44 120.23 2wkw n TRP 176 Ca -0.20 -0.39 0.05 0.00 -1.02 0.00 0.00 57.50 55.94 2wkw n TRP 176 Cb 0.51 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.57 2wkw n TRP 176 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2wkw h LEU 177 N 4.22 -0.11 -1.87 -0.99 5.85 -1.89 -0.58 115.31 119.93 2wkw h LEU 177 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2wkw h LEU 177 Cb 0.95 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2wkw h LEU 177 CO 0.00 -0.08 0.00 1.23 -0.34 0.00 0.00 178.44 179.25 2wkw h GLY 178 N 0.20 0.00 -2.37 3.75 0.00 -1.83 -2.12 103.07 100.71 2wkw h GLY 178 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2wkw h GLY 178 CO -0.55 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 174.85 2wkw n SER 179 N -2.58 3.56 -4.48 0.19 3.41 -0.23 -4.51 113.62 108.98 2wkw n SER 179 Ca -0.01 -1.99 -0.24 0.00 -0.26 0.00 0.00 58.87 56.37 2wkw n SER 179 Cb 0.09 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 2wkw n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2wkw s MET 180 N -1.36 1.68 1.14 4.33 1.00 -0.80 -4.93 119.30 120.37 2wkw s MET 180 Ca 0.40 -1.80 -0.12 0.00 0.00 0.00 0.00 55.69 54.18 2wkw s MET 180 Cb 0.23 -1.69 0.27 0.00 0.00 0.00 0.00 34.83 33.65 2wkw s MET 180 CO 0.32 0.27 1.03 -2.30 0.00 0.00 0.00 175.02 174.34 2wkw n PRO 181 N -0.64 -2.21 -4.26 2.03 -0.02 -1.26 -4.93 135.00 123.72 2wkw n PRO 181 Ca -0.05 -0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 60.50 2wkw n PRO 181 Cb 0.61 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.73 2wkw n PRO 181 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2wkw s THR 182 N -2.44 1.89 0.48 3.45 2.01 -1.26 -2.49 115.64 117.28 2wkw s THR 182 Ca 0.68 -0.85 -0.23 0.00 0.31 0.00 0.00 61.69 61.60 2wkw s THR 182 Cb -0.25 -1.71 -0.07 0.00 0.01 0.00 0.00 72.50 70.48 2wkw s THR 182 CO 0.64 0.51 1.31 -2.16 -0.69 0.00 0.00 174.62 174.24 2wkw s PRO 183 N 1.20 3.54 0.35 4.92 0.04 -1.26 -5.12 135.00 138.67 2wkw s PRO 183 Ca 0.01 2.13 -0.25 0.00 0.04 0.00 0.00 61.00 62.94 2wkw s PRO 183 Cb -0.14 -2.45 -0.14 0.00 0.04 0.00 0.00 34.50 31.81 2wkw s PRO 183 CO -0.09 -0.84 0.67 -1.71 0.04 0.00 0.00 177.00 175.08 2wkw n ASN 184 N -0.54 -0.31 0.33 6.66 2.85 -1.04 -4.85 115.26 118.36 2wkw n ASN 184 Ca 0.07 1.02 0.19 0.00 -0.11 0.00 0.00 54.58 55.75 2wkw n ASN 184 Cb 0.45 -1.14 1.00 0.00 1.24 0.00 0.00 39.78 41.32 2wkw n ASN 184 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wkw h PRO 185 N 1.16 0.00 -0.79 1.20 0.11 -1.93 -0.27 132.00 131.47 2wkw h PRO 185 Ca -0.38 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.84 2wkw h PRO 185 Cb 1.39 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.44 2wkw h PRO 185 CO 0.55 0.00 0.52 1.15 -0.21 0.00 0.00 178.00 180.00 2wkw h THR 186 N 0.00 0.89 0.27 -1.15 2.02 -1.88 -2.15 112.91 110.90 2wkw h THR 186 Ca 0.01 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2wkw h THR 186 Cb 0.37 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2wkw h THR 186 CO -0.00 0.11 -0.14 0.58 0.37 0.00 0.00 175.52 176.44 2wkw h VAL 187 N 0.63 0.71 -0.48 3.16 2.07 -1.37 0.12 116.25 121.09 2wkw h VAL 187 Ca 0.38 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.84 2wkw h VAL 187 Cb 0.59 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2wkw h VAL 187 CO -0.14 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.53 2wkw h ALA 188 N 0.35 1.26 -0.27 1.67 0.00 -1.67 -2.48 119.26 118.12 2wkw h ALA 188 Ca -0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2wkw h ALA 188 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wkw h ALA 188 CO 0.05 0.51 -0.07 -0.91 0.00 0.00 0.00 179.25 178.82 2wkw h ASN 189 N 0.71 0.41 0.13 0.00 2.35 -0.83 -1.80 115.58 116.55 2wkw h ASN 189 Ca 0.15 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 2wkw h ASN 189 Cb 0.31 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2wkw h ASN 189 CO 0.00 0.53 -0.46 -0.07 -1.65 0.00 0.00 177.43 175.78 2wkw h LEU 190 N 0.41 0.42 -0.11 1.61 3.38 -0.33 -1.13 115.31 119.54 2wkw h LEU 190 Ca 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2wkw h LEU 190 Cb 0.39 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2wkw h LEU 190 CO 0.02 0.82 0.03 -1.28 0.09 0.00 0.00 178.44 178.12 2wkw h SER 191 N 0.32 0.17 -0.71 -0.43 0.87 -1.15 -0.80 113.55 111.82 2wkw h SER 191 Ca 0.02 -0.23 0.06 0.00 -1.23 0.00 0.00 61.79 60.41 2wkw h SER 191 Cb 0.93 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.79 2wkw h SER 191 CO 0.08 0.36 0.41 0.11 -0.53 0.00 0.00 176.83 177.25 2wkw h LYS 192 N -0.02 0.72 -0.29 2.24 1.57 -1.20 -1.14 116.57 118.45 2wkw h LYS 192 Ca 0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2wkw h LYS 192 Cb 0.25 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2wkw h LYS 192 CO 0.00 0.48 0.10 1.25 -0.57 0.00 0.00 179.45 180.70 2wkw h LEU 193 N 0.74 0.43 -0.84 2.94 5.85 -1.11 -1.74 115.31 121.58 2wkw h LEU 193 Ca 0.32 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2wkw h LEU 193 Cb 0.19 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2wkw h LEU 193 CO -0.18 0.51 0.31 0.00 -0.34 0.00 0.00 178.44 178.74 2wkw h ALA 194 N 0.93 1.08 0.02 1.25 0.00 -0.84 -0.39 119.26 121.30 2wkw h ALA 194 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wkw h ALA 194 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2wkw h ALA 194 CO -0.00 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.71 2wkw h ILE 195 N 1.13 1.15 -0.54 0.00 2.04 -1.18 -0.51 117.51 119.61 2wkw h ILE 195 Ca 0.26 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.69 2wkw h ILE 195 Cb 0.21 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 2wkw h ILE 195 CO -0.02 0.13 0.17 0.50 0.00 0.00 0.00 178.15 178.93 2wkw h LYS 196 N -0.24 0.33 0.00 2.37 3.64 -1.16 -1.20 116.57 120.31 2wkw h LYS 196 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wkw h LYS 196 Cb 0.23 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2wkw h LYS 196 CO 0.00 0.22 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.31 2wkw h LEU 197 N 0.34 0.00 -1.37 5.20 3.38 -0.94 -3.47 115.31 118.45 2wkw h LEU 197 Ca 0.27 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.87 2wkw h LEU 197 Cb 0.32 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.21 2wkw h LEU 197 CO -0.29 0.02 -0.75 -0.67 0.09 0.00 0.00 178.44 176.84 2wkw n ASP 198 N -3.12 -3.51 0.00 -0.43 2.03 -0.23 -4.87 116.55 106.42 2wkw n ASP 198 Ca 0.01 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 54.70 2wkw n ASP 198 Cb 0.32 -4.95 0.00 0.00 -0.72 0.00 0.00 41.12 35.77 2wkw n ASP 198 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wkw n GLY 199 N -1.48 3.05 3.21 0.27 0.00 -1.00 -4.94 105.19 104.29 2wkw n GLY 199 Ca -0.18 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2wkw n GLY 199 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wkw s THR 200 N 0.00 0.06 -0.14 2.61 -1.32 0.24 -4.09 115.64 113.00 2wkw s THR 200 Ca 0.00 -0.49 -0.25 0.00 -1.21 0.00 0.00 61.69 59.74 2wkw s THR 200 Cb 0.00 -0.57 -0.02 0.00 -1.51 0.00 0.00 72.50 70.40 2wkw s THR 200 CO 0.00 -0.27 0.80 -0.69 -2.21 0.00 0.00 174.62 172.25 2wkw s VAL 201 N -1.26 4.93 -0.27 5.08 1.01 -0.38 -1.27 120.40 128.23 2wkw s VAL 201 Ca -0.13 1.59 -0.18 0.00 0.00 0.00 0.00 61.98 63.26 2wkw s VAL 201 Cb -0.06 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2wkw s VAL 201 CO 0.04 0.09 0.50 -0.76 0.00 0.00 0.00 175.10 174.96 2wkw s LEU 202 N 1.76 4.08 -0.24 3.92 1.43 -0.61 -0.46 118.68 128.56 2wkw s LEU 202 Ca 0.38 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 2wkw s LEU 202 Cb -0.17 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.47 2wkw s LEU 202 CO 0.15 -0.30 -0.11 -0.22 0.23 0.00 0.00 176.35 176.10 2wkw s LEU 203 N 2.29 3.10 0.00 1.79 0.20 0.08 -0.58 118.68 125.56 2wkw s LEU 203 Ca 0.20 -1.05 0.02 0.00 0.69 0.00 0.00 54.13 53.99 2wkw s LEU 203 Cb -0.16 -1.58 -0.01 0.00 -0.43 0.00 0.00 46.19 44.01 2wkw s LEU 203 CO 0.10 -0.13 0.07 -1.54 -0.29 0.00 0.00 176.35 174.56 2wkw n SER 204 N 4.56 2.39 -3.66 3.68 3.41 -0.47 -0.65 113.62 122.89 2wkw n SER 204 Ca -0.16 -3.25 -0.07 0.00 -0.26 0.00 0.00 58.87 55.13 2wkw n SER 204 Cb 0.46 0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 65.02 2wkw n SER 204 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2wkw s HIS 205 N -2.99 -0.95 0.00 7.33 2.46 -1.13 -0.96 115.29 119.04 2wkw s HIS 205 Ca 0.10 1.81 0.00 0.00 0.47 0.00 0.00 55.06 57.44 2wkw s HIS 205 Cb 0.00 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.95 2wkw s HIS 205 CO 0.07 -0.51 0.00 0.45 -2.47 0.00 0.00 174.74 172.28 2wkw n SER 206 N 4.93 0.00 -0.30 9.88 2.88 -0.55 -1.24 113.62 129.21 2wkw n SER 206 Ca -0.15 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.53 2wkw n SER 206 Cb 0.53 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.30 2wkw n SER 206 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2wkw h GLN 207 N 0.00 0.24 -0.11 -1.46 4.15 -1.90 0.53 115.11 116.55 2wkw h GLN 207 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2wkw h GLN 207 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2wkw h GLN 207 CO 0.00 0.16 0.00 -1.13 -1.93 0.00 0.00 178.83 175.93 2wkw n SER 208 N -5.18 1.62 -0.30 -0.69 3.41 -0.38 -4.33 113.62 107.78 2wkw n SER 208 Ca 0.22 -1.63 0.10 0.00 -0.26 0.00 0.00 58.87 57.30 2wkw n SER 208 Cb 0.71 -0.07 0.26 0.00 -0.26 0.00 0.00 64.21 64.85 2wkw n SER 208 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wkw h GLY 209 N 4.95 1.42 2.00 5.00 0.00 -0.99 -0.34 103.07 115.11 2wkw h GLY 209 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2wkw h GLY 209 CO 0.00 -0.15 -0.05 1.19 0.00 0.00 0.00 176.54 177.53 2wkw h ILE 210 N 0.50 0.11 -0.35 2.60 6.09 -1.75 -3.38 117.51 121.32 2wkw h ILE 210 Ca 0.50 -0.88 0.07 0.00 -1.37 0.00 0.00 64.86 63.18 2wkw h ILE 210 Cb 0.84 1.80 -0.07 0.00 0.47 0.00 0.00 36.82 39.86 2wkw h ILE 210 CO -0.44 0.05 -0.07 1.88 -3.07 0.00 0.00 178.15 176.50 2wkw h TYR 211 N 0.00 -0.15 -0.07 2.19 -1.99 -1.33 -2.08 116.97 113.55 2wkw h TYR 211 Ca -0.00 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 2wkw h TYR 211 Cb 0.79 0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.63 2wkw h TYR 211 CO 0.00 -0.13 -0.15 -1.35 -0.00 0.00 0.00 178.16 176.52 2wkw h PRO 212 N 0.02 0.11 -0.42 4.88 0.11 -1.74 1.00 132.00 135.96 2wkw h PRO 212 Ca 0.17 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 2wkw h PRO 212 Cb 0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2wkw h PRO 212 CO -0.35 0.27 -0.20 0.74 -0.21 0.00 0.00 178.00 178.25 2wkw h PHE 213 N 0.11 1.00 -0.66 0.65 0.04 -1.70 -0.17 116.94 116.21 2wkw h PHE 213 Ca 0.02 -0.25 -0.06 0.00 2.80 0.00 0.00 57.97 60.48 2wkw h PHE 213 Cb 0.34 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 2wkw h PHE 213 CO 0.00 1.03 0.16 1.96 -0.60 0.00 0.00 178.31 180.86 2wkw h GLN 214 N 0.69 1.05 -0.15 1.51 4.20 -0.70 -0.60 115.11 121.12 2wkw h GLN 214 Ca 0.09 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 2wkw h GLN 214 Cb 0.76 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2wkw h GLN 214 CO 0.06 0.94 0.09 1.15 -0.67 0.00 0.00 178.83 180.40 2wkw h THR 215 N 0.98 1.07 -0.37 -0.54 2.02 -0.73 -1.99 112.91 113.34 2wkw h THR 215 Ca 0.21 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 2wkw h THR 215 Cb 0.37 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2wkw h THR 215 CO 0.00 0.06 0.03 0.00 0.37 0.00 0.00 175.52 175.99 2wkw h ALA 216 N 1.02 1.36 -0.11 6.16 0.00 -0.79 -0.60 119.26 126.31 2wkw h ALA 216 Ca 0.05 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2wkw h ALA 216 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2wkw h ALA 216 CO -0.01 0.45 -0.37 0.00 0.00 0.00 0.00 179.25 179.31 2wkw h ALA 217 N 1.49 1.18 -0.08 0.00 0.00 -0.97 -2.71 119.26 118.17 2wkw h ALA 217 Ca 0.12 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2wkw h ALA 217 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wkw h ALA 217 CO 0.01 0.55 -0.19 1.98 0.00 0.00 0.00 179.25 181.60 2wkw h MET 218 N 0.19 0.28 -1.52 0.00 -1.53 -0.72 -3.46 114.93 108.16 2wkw h MET 218 Ca 0.02 -0.19 0.11 0.00 -3.44 0.00 0.00 59.70 56.20 2wkw h MET 218 Cb 0.75 0.03 -0.21 0.00 -0.55 0.00 0.00 31.60 31.62 2wkw h MET 218 CO 0.06 0.79 -0.08 1.21 0.14 0.00 0.00 176.91 179.03 2wkw s ASN 219 N -6.17 -1.06 0.33 1.39 3.84 -0.29 -5.05 114.94 107.93 2wkw s ASN 219 Ca -0.15 1.22 0.26 0.00 0.21 0.00 0.00 52.86 54.41 2wkw s ASN 219 Cb 0.04 2.11 0.88 0.00 -0.55 0.00 0.00 41.25 43.73 2wkw s ASN 219 CO 0.75 -0.20 1.77 1.55 -2.79 0.00 0.00 177.10 178.17 2wkw h PRO 220 N 7.91 0.00 -6.51 0.43 0.13 -1.71 -3.37 132.00 128.88 2wkw h PRO 220 Ca -0.18 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.36 2wkw h PRO 220 Cb 1.12 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.31 2wkw h PRO 220 CO 0.12 0.00 0.80 1.17 -0.23 0.00 0.00 178.00 179.86 2wkw n LYS 221 N -2.57 2.15 -0.28 0.86 4.81 -1.26 -2.31 118.16 119.56 2wkw n LYS 221 Ca 0.03 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2wkw n LYS 221 Cb 0.36 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 32.87 2wkw n LYS 221 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wkw n GLY 222 N 3.41 1.71 3.39 3.14 0.00 -1.26 -4.25 105.19 111.34 2wkw n GLY 222 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 2wkw n GLY 222 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wkw s ILE 223 N -3.02 4.69 0.05 -0.61 1.01 -0.98 -0.59 121.20 121.75 2wkw s ILE 223 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 2wkw s ILE 223 Cb 0.00 -4.54 -0.21 0.00 0.01 0.00 0.00 42.46 37.72 2wkw s ILE 223 CO 0.00 -1.21 1.19 0.74 0.00 0.00 0.00 174.94 175.66 2wkw h THR 224 N 5.94 1.35 -2.84 2.92 2.02 -1.51 -3.47 112.91 117.31 2wkw h THR 224 Ca -0.29 -2.05 0.02 0.00 0.77 0.00 0.00 66.41 64.87 2wkw h THR 224 Cb 1.08 2.34 -0.12 0.00 -1.74 0.00 0.00 68.15 69.72 2wkw h THR 224 CO 1.12 0.62 0.28 0.00 0.37 0.00 0.00 175.52 177.91 2wkw s ALA 225 N -3.44 -1.59 -0.10 6.16 0.00 -1.25 -4.33 121.76 117.21 2wkw s ALA 225 Ca -0.12 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.35 2wkw s ALA 225 Cb 0.06 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.97 2wkw s ALA 225 CO 0.86 -0.80 -0.21 0.42 0.00 0.00 0.00 175.76 176.03 2wkw s ILE 226 N -3.64 1.88 -0.18 0.00 1.01 -0.51 -1.58 121.20 118.18 2wkw s ILE 226 Ca 0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 2wkw s ILE 226 Cb -0.02 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.82 2wkw s ILE 226 CO -0.09 0.52 -0.14 -0.69 0.00 0.00 0.00 174.94 174.53 2wkw s VAL 227 N 0.47 2.60 -0.25 2.92 1.01 0.25 -0.71 120.40 126.69 2wkw s VAL 227 Ca -0.17 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.07 2wkw s VAL 227 Cb -0.17 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.14 2wkw s VAL 227 CO 0.07 0.50 -0.12 -0.55 0.00 0.00 0.00 175.10 175.00 2wkw s SER 228 N 1.16 4.26 -0.32 3.32 0.15 0.66 -1.37 113.70 121.56 2wkw s SER 228 Ca 0.01 -1.30 -0.19 0.00 0.70 0.00 0.00 55.95 55.18 2wkw s SER 228 Cb -0.14 -1.52 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 2wkw s SER 228 CO -0.06 -0.17 0.54 -0.69 1.20 0.00 0.00 173.24 174.06 2wkw s VAL 229 N 1.14 5.00 -1.03 4.45 1.01 -0.14 -1.53 120.40 129.31 2wkw s VAL 229 Ca -0.07 0.58 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 2wkw s VAL 229 Cb -0.19 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.28 2wkw s VAL 229 CO -0.06 -0.14 0.58 -0.62 0.00 0.00 0.00 175.10 174.87 2wkw n GLU 230 N 5.75 -0.40 -2.04 2.72 1.02 0.43 -1.48 120.64 126.64 2wkw n GLU 230 Ca -0.04 0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 2wkw n GLU 230 Cb 0.49 -1.98 0.02 0.00 -0.02 0.00 0.00 31.44 29.95 2wkw n GLU 230 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wkw s PRO 231 N -6.95 3.37 0.44 3.49 0.04 -1.26 -2.86 135.00 131.27 2wkw s PRO 231 Ca 0.39 1.95 0.12 0.00 0.04 0.00 0.00 61.00 63.50 2wkw s PRO 231 Cb -0.22 -2.25 0.97 0.00 0.04 0.00 0.00 34.50 33.05 2wkw s PRO 231 CO 0.85 -0.92 2.01 0.78 0.04 0.00 0.00 177.00 179.75 2wkw h GLY 232 N 1.58 0.13 -4.95 0.56 0.00 -1.30 -3.43 103.07 95.67 2wkw h GLY 232 Ca -0.50 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 2wkw h GLY 232 CO 0.58 0.07 -0.17 -1.83 0.00 0.00 0.00 176.54 175.19 2wkw s GLU 233 N -4.83 0.61 0.31 4.80 -1.05 -1.26 -4.98 118.70 112.29 2wkw s GLU 233 Ca -0.05 0.42 0.03 0.00 -0.15 0.00 0.00 54.97 55.22 2wkw s GLU 233 Cb 0.16 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 2wkw s GLU 233 CO 0.71 -0.11 0.47 0.00 0.95 0.00 0.00 175.26 177.28 2wkw s PRO 235 N -4.18 2.63 0.47 0.00 0.02 -1.26 -4.97 135.00 127.71 2wkw s PRO 235 Ca 0.39 1.99 -0.24 0.00 0.02 0.00 0.00 61.00 63.16 2wkw s PRO 235 Cb -0.09 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 2wkw s PRO 235 CO 0.33 -1.52 1.35 0.15 -0.33 0.00 0.00 177.00 176.98 2wkw s LYS 236 N -3.40 3.59 0.45 5.54 1.02 -1.26 -4.63 119.74 121.05 2wkw s LYS 236 Ca 0.81 2.25 0.24 0.00 0.02 0.00 0.00 55.97 59.29 2wkw s LYS 236 Cb -0.35 -2.53 1.26 0.00 -0.52 0.00 0.00 37.83 35.68 2wkw s LYS 236 CO 0.38 -0.83 1.80 -1.35 -0.92 0.00 0.00 175.35 174.43 2wkw h PRO 237 N 2.11 0.25 0.00 -1.68 0.11 -1.91 0.36 132.00 131.24 2wkw h PRO 237 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wkw h PRO 237 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wkw h PRO 237 CO 0.60 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 2wkw n GLU 238 N -4.47 0.83 -0.28 1.05 0.00 -1.26 -3.55 120.64 112.97 2wkw n GLU 238 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.48 2wkw n GLU 238 Cb 0.97 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 31.11 2wkw n GLU 238 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2wkw n ASP 239 N -1.06 3.34 0.20 -1.84 8.00 0.11 -4.69 116.55 120.61 2wkw n ASP 239 Ca 0.21 -2.20 0.13 0.00 0.71 0.00 0.00 54.79 53.63 2wkw n ASP 239 Cb 0.13 -0.34 0.31 0.00 -0.02 0.00 0.00 41.12 41.21 2wkw n ASP 239 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2wkw h VAL 240 N 2.38 0.00 -0.27 2.53 -1.51 -1.67 -3.38 116.25 114.33 2wkw h VAL 240 Ca 0.00 -0.79 0.05 0.00 -1.23 0.00 0.00 66.70 64.73 2wkw h VAL 240 Cb 0.93 1.78 -0.05 0.00 -2.13 0.00 0.00 31.29 31.82 2wkw h VAL 240 CO 0.06 0.00 -0.07 0.11 -1.23 0.00 0.00 177.57 176.44 2wkw h LYS 241 N 0.00 -0.00 0.00 5.19 6.56 -1.88 -0.52 116.57 125.92 2wkw h LYS 241 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2wkw h LYS 241 Cb 0.85 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 2wkw h LYS 241 CO 0.00 -0.00 0.00 -2.30 -2.06 0.00 0.00 179.45 175.09 2wkw n PRO 242 N -5.24 0.02 0.00 3.15 -0.02 -1.26 -2.48 135.00 129.17 2wkw n PRO 242 Ca -0.01 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2wkw n PRO 242 Cb 0.16 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.22 2wkw n PRO 242 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wkw n LEU 243 N -1.46 1.95 0.30 2.45 4.77 -0.21 -4.64 117.00 120.16 2wkw n LEU 243 Ca 0.02 -0.69 0.19 0.00 -0.03 0.00 0.00 56.01 55.49 2wkw n LEU 243 Cb 0.08 -0.02 0.91 0.00 -2.33 0.00 0.00 43.42 42.07 2wkw n LEU 243 CO 0.07 0.36 1.07 0.71 -1.33 0.00 0.00 177.39 178.26 2wkw h THR 244 N 2.45 0.13 -0.01 -5.08 1.35 -1.43 -2.17 112.91 108.16 2wkw h THR 244 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2wkw h THR 244 Cb 0.73 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2wkw h THR 244 CO 0.00 0.03 -0.30 -1.54 -0.25 0.00 0.00 175.52 173.46 2wkw n SER 245 N -3.22 0.87 -4.26 5.36 3.41 -1.26 -4.24 113.62 110.28 2wkw n SER 245 Ca -0.01 -0.72 -0.35 0.00 -0.26 0.00 0.00 58.87 57.52 2wkw n SER 245 Cb 0.19 0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 64.15 2wkw n SER 245 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wkw s ILE 246 N -2.61 3.24 0.30 -1.33 1.01 -0.82 -5.04 121.20 115.96 2wkw s ILE 246 Ca 0.22 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 2wkw s ILE 246 Cb 0.19 -2.59 -0.12 0.00 0.01 0.00 0.00 42.46 39.95 2wkw s ILE 246 CO 0.56 0.26 1.51 -2.65 0.00 0.00 0.00 174.94 174.62 2wkw n PRO 247 N 4.75 2.53 -4.78 2.79 -0.02 -1.26 -4.62 135.00 134.38 2wkw n PRO 247 Ca -0.17 0.90 -0.26 0.00 -2.02 0.00 0.00 63.50 61.94 2wkw n PRO 247 Cb 0.49 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.17 2wkw n PRO 247 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wkw s VAL 248 N -0.32 1.40 -0.13 -1.45 1.01 0.02 -1.43 120.40 119.50 2wkw s VAL 248 Ca 0.62 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2wkw s VAL 248 Cb -0.53 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2wkw s VAL 248 CO 0.53 0.41 -0.18 -0.22 0.00 0.00 0.00 175.10 175.64 2wkw s LEU 249 N 0.43 1.92 -0.16 3.92 2.96 0.11 -1.35 118.68 126.51 2wkw s LEU 249 Ca -0.13 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2wkw s LEU 249 Cb -0.15 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 2wkw s LEU 249 CO 0.04 0.04 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.32 2wkw s VAL 250 N 0.95 3.14 -0.14 1.68 1.01 -0.56 -0.25 120.40 126.24 2wkw s VAL 250 Ca -0.06 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 2wkw s VAL 250 Cb -0.15 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2wkw s VAL 250 CO -0.03 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 174.75 2wkw s VAL 251 N 0.76 3.05 0.05 2.92 1.01 -0.58 -0.51 120.40 127.10 2wkw s VAL 251 Ca -0.04 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2wkw s VAL 251 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2wkw s VAL 251 CO 0.01 0.52 -0.23 -0.36 0.00 0.00 0.00 175.10 175.04 2wkw s PHE 252 N 0.44 2.02 0.00 5.22 0.40 -0.10 -0.43 117.98 125.54 2wkw s PHE 252 Ca -0.10 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 2wkw s PHE 252 Cb -0.16 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.18 2wkw s PHE 252 CO 0.05 0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.51 2wkw n GLY 253 N 1.70 1.59 3.79 4.36 0.00 -1.26 -1.19 105.19 114.18 2wkw n GLY 253 Ca -0.17 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 2wkw n GLY 253 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wkw s ASP 254 N -1.00 4.42 -1.45 1.61 -1.08 -0.38 -4.49 116.67 114.30 2wkw s ASP 254 Ca 0.00 -1.25 -0.09 0.00 -0.52 0.00 0.00 52.55 50.69 2wkw s ASP 254 Cb 0.00 -0.00 0.05 0.00 -1.46 0.00 0.00 42.92 41.50 2wkw s ASP 254 CO 0.00 -0.78 0.74 1.41 0.52 0.00 0.00 175.17 177.07 2wkw n HIS 255 N -1.40 -2.12 -0.03 -5.34 8.25 -1.26 -4.77 115.22 108.54 2wkw n HIS 255 Ca -0.05 0.67 -0.15 0.00 -0.26 0.00 0.00 57.72 57.93 2wkw n HIS 255 Cb 0.65 -4.00 -0.10 0.00 1.12 0.00 0.00 29.99 27.67 2wkw n HIS 255 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2wkw h ILE 256 N -1.62 1.44 -0.03 1.59 1.08 -1.95 -3.37 117.51 114.66 2wkw h ILE 256 Ca -0.52 -1.72 -0.07 0.00 -0.39 0.00 0.00 64.86 62.15 2wkw h ILE 256 Cb 1.35 2.37 -0.01 0.00 -3.07 0.00 0.00 36.82 37.46 2wkw h ILE 256 CO 0.59 0.49 -0.33 -0.33 -0.69 0.00 0.00 178.15 177.88 2wkw h GLU 257 N -0.22 0.05 0.00 2.37 4.39 -1.94 -2.16 114.58 117.07 2wkw h GLU 257 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2wkw h GLU 257 Cb 0.95 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2wkw h GLU 257 CO 0.06 0.37 0.00 1.49 -1.16 0.00 0.00 179.01 179.77 2wkw h GLU 258 N 0.05 0.00 -4.81 2.33 4.81 -2.00 -3.42 114.58 111.54 2wkw h GLU 258 Ca 0.00 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.55 2wkw h GLU 258 Cb 0.60 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.67 2wkw h GLU 258 CO 0.04 0.00 -0.69 -0.06 -0.73 0.00 0.00 179.01 177.57 2wkw s PHE 259 N -3.68 3.18 0.58 0.92 0.40 -0.81 -4.99 117.98 113.57 2wkw s PHE 259 Ca -0.01 -1.57 0.28 0.00 -0.60 0.00 0.00 56.93 55.02 2wkw s PHE 259 Cb 0.09 -2.13 1.55 0.00 0.51 0.00 0.00 43.02 43.04 2wkw s PHE 259 CO 0.33 -0.73 2.03 -1.35 0.70 0.00 0.00 175.22 176.20 2wkw h PRO 260 N 8.07 0.00 -0.19 0.24 0.11 -1.84 0.52 132.00 138.90 2wkw h PRO 260 Ca -0.27 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 2wkw h PRO 260 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2wkw h PRO 260 CO 0.57 0.00 -0.49 -0.09 -0.21 0.00 0.00 178.00 177.78 2wkw h ARG 261 N 0.00 0.52 0.01 1.05 2.43 -1.94 -3.39 114.38 113.06 2wkw h ARG 261 Ca 0.15 -0.30 -0.40 0.00 -0.81 0.00 0.00 59.98 58.62 2wkw h ARG 261 Cb 0.74 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 2wkw h ARG 261 CO -0.00 0.89 -2.40 0.91 -1.51 0.00 0.00 179.97 177.86 2wkw n TRP 262 N -3.98 0.18 -0.23 2.20 7.02 0.04 -4.38 117.44 118.29 2wkw n TRP 262 Ca -0.02 0.05 -0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2wkw n TRP 262 Cb 0.56 -1.02 0.07 0.00 -2.42 0.00 0.00 31.31 28.50 2wkw n TRP 262 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wkw h ALA 263 N -0.21 0.42 0.00 6.99 0.00 -1.21 -0.41 119.26 124.85 2wkw h ALA 263 Ca -0.58 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2wkw h ALA 263 Cb 1.84 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 20.15 2wkw h ALA 263 CO -0.14 -0.43 -0.08 -1.00 0.00 0.00 0.00 179.25 177.60 2wkw h PRO 264 N -0.01 0.00 -0.15 0.00 0.13 -1.80 -2.58 132.00 127.60 2wkw h PRO 264 Ca 0.32 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.29 2wkw h PRO 264 Cb 0.49 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.63 2wkw h PRO 264 CO -0.69 0.08 -0.52 0.00 -0.23 0.00 0.00 178.00 176.64 2wkw h ARG 265 N 0.00 0.62 -0.57 0.86 3.08 -1.29 -0.53 114.38 116.54 2wkw h ARG 265 Ca -0.00 -0.46 0.01 0.00 0.07 0.00 0.00 59.98 59.60 2wkw h ARG 265 Cb 0.51 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2wkw h ARG 265 CO 0.01 1.08 0.37 1.25 -1.07 0.00 0.00 179.97 181.62 2wkw h LEU 266 N 0.27 0.63 0.05 3.04 5.85 -1.32 0.15 115.31 123.98 2wkw h LEU 266 Ca -0.02 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2wkw h LEU 266 Cb 1.15 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2wkw h LEU 266 CO 0.11 0.45 -0.03 0.50 -0.34 0.00 0.00 178.44 179.14 2wkw h LYS 267 N 0.75 -0.07 -0.54 1.25 3.64 -1.44 -0.85 116.57 119.32 2wkw h LYS 267 Ca 0.22 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2wkw h LYS 267 Cb -0.05 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2wkw h LYS 267 CO -0.06 -0.04 0.21 0.00 -2.27 0.00 0.00 179.45 177.28 2wkw h ALA 268 N 0.88 1.34 -0.33 5.00 0.00 -0.88 -2.21 119.26 123.06 2wkw h ALA 268 Ca -0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2wkw h ALA 268 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wkw h ALA 268 CO 0.01 0.49 -0.30 0.00 0.00 0.00 0.00 179.25 179.45 2wkw h HIS 270 N 0.60 0.55 -0.55 0.00 -0.00 -0.79 0.07 115.15 115.03 2wkw h HIS 270 Ca 0.07 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.48 2wkw h HIS 270 Cb 0.81 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 28.00 2wkw h HIS 270 CO 0.04 0.32 0.35 0.00 -0.00 0.00 0.00 177.93 178.63 2wkw h ALA 271 N 1.22 0.71 0.04 2.45 0.00 -1.26 0.04 119.26 122.46 2wkw h ALA 271 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wkw h ALA 271 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wkw h ALA 271 CO -0.09 0.08 -0.07 0.35 0.00 0.00 0.00 179.25 179.52 2wkw h PHE 272 N 0.69 -0.18 -0.26 0.00 3.57 -0.86 -1.17 116.94 118.74 2wkw h PHE 272 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2wkw h PHE 272 Cb -0.01 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2wkw h PHE 272 CO -0.05 -0.11 0.16 0.82 -2.23 0.00 0.00 178.31 176.90 2wkw h ILE 273 N -0.14 1.08 -0.39 1.41 1.08 -0.66 0.66 117.51 120.54 2wkw h ILE 273 Ca 0.01 -0.17 0.04 0.00 -0.39 0.00 0.00 64.86 64.36 2wkw h ILE 273 Cb 0.15 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 2wkw h ILE 273 CO -0.04 0.08 0.14 0.44 -0.69 0.00 0.00 178.15 178.08 2wkw h ASP 274 N 0.34 0.16 -0.49 1.72 3.32 -0.93 0.81 116.42 121.35 2wkw h ASP 274 Ca 0.09 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 2wkw h ASP 274 Cb -0.01 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2wkw h ASP 274 CO -0.02 0.13 0.02 0.00 -1.72 0.00 0.00 179.24 177.65 2wkw h ALA 275 N 1.25 1.02 -0.40 3.45 0.00 -0.98 0.39 119.26 123.99 2wkw h ALA 275 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wkw h ALA 275 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2wkw h ALA 275 CO -0.18 0.61 0.22 1.25 0.00 0.00 0.00 179.25 181.15 2wkw h LEU 276 N 0.84 0.50 -0.59 0.00 5.85 -0.12 -1.54 115.31 120.26 2wkw h LEU 276 Ca 0.16 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 2wkw h LEU 276 Cb 0.47 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2wkw h LEU 276 CO 0.02 0.45 -0.02 0.78 -0.34 0.00 0.00 178.44 179.33 2wkw h ASN 277 N 0.52 1.04 0.15 1.25 2.35 -0.64 0.23 115.58 120.47 2wkw h ASN 277 Ca 0.14 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2wkw h ASN 277 Cb 0.06 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 2wkw h ASN 277 CO -0.02 1.10 -0.06 0.00 -1.65 0.00 0.00 177.43 176.80 2wkw h ALA 278 N 0.97 1.45 -0.06 -0.83 0.00 -0.73 -2.15 119.26 117.93 2wkw h ALA 278 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wkw h ALA 278 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wkw h ALA 278 CO 0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2wkw n ALA 279 N -2.32 2.56 -0.18 0.00 0.00 -0.60 -4.88 120.51 115.09 2wkw n ALA 279 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2wkw n ALA 279 Cb 0.15 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2wkw n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wkw n GLY 280 N 1.15 0.90 0.00 0.00 0.00 -0.81 -5.00 105.19 101.43 2wkw n GLY 280 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2wkw n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkw n GLY 281 N -2.18 0.85 2.52 -0.02 0.00 0.03 -4.90 105.19 101.49 2wkw n GLY 281 Ca 0.00 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 2wkw n GLY 281 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wkw s LYS 282 N -1.26 0.52 0.16 1.61 2.20 -1.26 -4.55 119.74 117.16 2wkw s LYS 282 Ca 0.00 -1.16 0.10 0.00 -0.36 0.00 0.00 55.97 54.55 2wkw s LYS 282 Cb 0.00 -1.39 -0.04 0.00 -1.51 0.00 0.00 37.83 34.89 2wkw s LYS 282 CO 0.00 -1.14 -0.22 0.20 -0.36 0.00 0.00 175.35 173.83 2wkw s GLY 283 N 1.31 1.50 -0.02 5.54 0.00 -1.26 -0.80 107.32 113.59 2wkw s GLY 283 Ca 0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.37 2wkw s GLY 283 CO -0.10 -1.52 0.03 1.62 0.00 0.00 0.00 173.10 173.13 2wkw s GLN 284 N -2.49 -0.00 -0.45 2.90 0.74 -0.46 -4.92 119.66 114.99 2wkw s GLN 284 Ca 0.16 0.13 -0.16 0.00 0.05 0.00 0.00 55.36 55.54 2wkw s GLN 284 Cb -0.08 -0.12 0.05 0.00 1.10 0.00 0.00 33.01 33.95 2wkw s GLN 284 CO 0.07 -0.09 0.38 -1.17 -0.55 0.00 0.00 175.29 173.93 2wkw s LEU 285 N 0.60 5.32 -0.59 3.68 0.20 -1.26 -1.49 118.68 125.13 2wkw s LEU 285 Ca -0.05 -1.08 -0.22 0.00 0.69 0.00 0.00 54.13 53.47 2wkw s LEU 285 Cb -0.07 -2.21 0.06 0.00 -0.43 0.00 0.00 46.19 43.54 2wkw s LEU 285 CO -0.02 -0.58 0.87 -0.32 -0.29 0.00 0.00 176.35 176.01 2wkw s MET 286 N 1.77 3.19 -0.34 1.98 -2.45 0.33 -4.99 119.30 118.79 2wkw s MET 286 Ca 0.06 -0.67 -0.19 0.00 -1.25 0.00 0.00 55.69 53.64 2wkw s MET 286 Cb -0.21 -4.14 -0.00 0.00 1.25 0.00 0.00 34.83 31.72 2wkw s MET 286 CO 0.09 -1.57 0.55 0.45 1.05 0.00 0.00 175.02 175.59 2wkw s SER 287 N 3.19 6.36 0.19 1.11 0.15 -1.26 -0.92 113.70 122.52 2wkw s SER 287 Ca 0.23 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 2wkw s SER 287 Cb -0.16 -2.29 0.14 0.00 -1.71 0.00 0.00 66.02 62.00 2wkw s SER 287 CO 0.13 -0.50 1.81 -0.07 1.20 0.00 0.00 173.24 175.82 2wkw h LEU 288 N 9.15 0.50 -1.44 3.45 3.38 -1.38 -1.71 115.31 127.26 2wkw h LEU 288 Ca -0.27 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2wkw h LEU 288 Cb 1.12 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2wkw h LEU 288 CO 0.79 0.35 0.41 -0.65 0.09 0.00 0.00 178.44 179.43 2wkw h PRO 289 N 0.63 0.70 0.00 1.13 0.11 -1.60 -0.35 132.00 132.62 2wkw h PRO 289 Ca 0.24 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 2wkw h PRO 289 Cb 0.07 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 2wkw h PRO 289 CO -0.12 0.46 -0.12 0.00 -0.21 0.00 0.00 178.00 178.01 2wkw h ALA 290 N 1.64 1.19 -0.51 -0.75 0.00 -1.61 -1.65 119.26 117.56 2wkw h ALA 290 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wkw h ALA 290 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wkw h ALA 290 CO -0.07 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2wkw n LEU 291 N -3.50 2.83 -0.07 0.00 4.77 -0.54 -4.93 117.00 115.56 2wkw n LEU 291 Ca -0.01 -1.40 -0.01 0.00 -0.03 0.00 0.00 56.01 54.56 2wkw n LEU 291 Cb 0.27 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2wkw n LEU 291 CO 0.30 0.70 -0.01 0.61 -1.33 0.00 0.00 177.39 177.66 2wkw n GLY 292 N 1.35 0.46 3.31 -0.72 0.00 -0.62 -5.02 105.19 103.94 2wkw n GLY 292 Ca 0.18 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 2wkw n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wkw s VAL 293 N -2.03 3.66 0.19 1.61 1.01 -0.25 -4.99 120.40 119.60 2wkw s VAL 293 Ca 0.00 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.30 2wkw s VAL 293 Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2wkw s VAL 293 CO 0.00 0.12 -0.14 -1.00 0.00 0.00 0.00 175.10 174.07 2wkw s HIS 294 N 1.45 2.52 0.00 5.22 3.76 -1.26 -1.87 115.29 125.12 2wkw s HIS 294 Ca 0.02 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2wkw s HIS 294 Cb -0.17 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.28 2wkw s HIS 294 CO 0.01 0.51 0.00 0.41 -0.85 0.00 0.00 174.74 174.82 2wkw n GLY 295 N 0.10 0.68 3.74 -2.22 0.00 -1.26 -4.78 105.19 101.45 2wkw n GLY 295 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2wkw n GLY 295 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wkw s ASN 296 N -2.90 6.91 0.81 1.61 -0.87 -1.26 -0.30 114.94 118.93 2wkw s ASN 296 Ca 0.00 2.43 -0.05 0.00 -1.57 0.00 0.00 52.86 53.67 2wkw s ASN 296 Cb 0.00 -2.62 0.16 0.00 -0.02 0.00 0.00 41.25 38.78 2wkw s ASN 296 CO 0.00 -0.50 1.11 -0.94 -2.57 0.00 0.00 177.10 174.20 2wkw s SER 297 N 0.13 3.86 0.48 -1.22 1.04 -1.26 -1.25 113.70 115.48 2wkw s SER 297 Ca 0.55 -0.31 0.14 0.00 0.48 0.00 0.00 55.95 56.81 2wkw s SER 297 Cb -0.37 0.10 1.12 0.00 0.10 0.00 0.00 66.02 66.97 2wkw s SER 297 CO 0.40 -2.21 2.08 -0.74 0.98 0.00 0.00 173.24 173.76 2wkw h HIS 298 N -0.89 0.09 -1.07 5.02 2.76 -1.57 -3.03 115.15 116.45 2wkw h HIS 298 Ca -0.37 -0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.26 2wkw h HIS 298 Cb 1.25 -0.03 -0.17 0.00 1.55 0.00 0.00 27.41 30.01 2wkw h HIS 298 CO -0.57 0.11 0.70 -1.33 -1.30 0.00 0.00 177.93 175.54 2wkw n MET 299 N -4.46 2.75 0.25 5.26 2.81 -1.26 -4.73 117.12 117.74 2wkw n MET 299 Ca -0.02 -2.51 0.10 0.00 -1.81 0.00 0.00 57.70 53.46 2wkw n MET 299 Cb 0.13 -2.22 0.65 0.00 -0.71 0.00 0.00 33.22 31.07 2wkw n MET 299 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wkw h MET 300 N 3.25 0.00 0.00 0.03 3.00 -1.92 -0.11 114.93 119.18 2wkw h MET 300 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 59.70 60.14 2wkw h MET 300 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.26 2wkw h MET 300 CO 0.96 0.15 0.00 0.00 0.00 0.00 0.00 176.91 178.02 2wkw n MET 301 N -3.85 0.11 0.00 -0.10 0.00 -1.26 -2.60 117.12 109.42 2wkw n MET 301 Ca -0.02 0.43 0.04 0.00 0.00 0.00 0.00 57.70 58.15 2wkw n MET 301 Cb 0.25 -1.75 -0.03 0.00 0.00 0.00 0.00 33.22 31.68 2wkw n MET 301 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2wkw n GLN 302 N -1.97 3.71 -0.78 3.17 6.02 -0.08 -4.51 117.38 122.95 2wkw n GLN 302 Ca 0.01 -0.17 -0.29 0.00 -0.01 0.00 0.00 57.00 56.54 2wkw n GLN 302 Cb 0.15 -0.92 0.20 0.00 1.02 0.00 0.00 30.24 30.68 2wkw n GLN 302 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wkw s ASP 303 N -1.58 2.18 0.51 1.08 1.01 -1.07 -4.62 116.67 114.18 2wkw s ASP 303 Ca 0.04 1.68 0.24 0.00 0.71 0.00 0.00 52.55 55.22 2wkw s ASP 303 Cb 0.06 -2.32 1.37 0.00 1.01 0.00 0.00 42.92 43.04 2wkw s ASP 303 CO 0.29 -3.48 2.07 0.03 0.21 0.00 0.00 175.17 174.29 2wkw h ARG 304 N -2.13 0.00 -0.68 8.23 3.08 -0.42 -1.06 114.38 121.40 2wkw h ARG 304 Ca -0.53 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.15 2wkw h ARG 304 Cb 1.30 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.14 2wkw h ARG 304 CO 0.49 0.12 0.27 0.27 -1.07 0.00 0.00 179.97 180.05 2wkw n ASN 305 N -3.86 3.40 0.07 7.04 6.94 -1.26 -4.74 115.26 122.85 2wkw n ASN 305 Ca -0.02 -3.72 0.09 0.00 -0.02 0.00 0.00 54.58 50.91 2wkw n ASN 305 Cb 0.22 -0.74 0.55 0.00 -2.36 0.00 0.00 39.78 37.45 2wkw n ASN 305 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2wkw h ASN 306 N 1.10 0.23 0.45 0.53 -1.07 -1.38 -1.99 115.58 113.44 2wkw h ASN 306 Ca 0.43 -0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.66 2wkw h ASN 306 Cb 2.13 -0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 38.32 2wkw h ASN 306 CO 0.79 0.15 -0.63 -0.07 0.07 0.00 0.00 177.43 177.74 2wkw h LEU 307 N 0.26 0.20 -0.47 6.14 3.38 -1.85 0.83 115.31 123.80 2wkw h LEU 307 Ca 0.14 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2wkw h LEU 307 Cb 0.25 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2wkw h LEU 307 CO -0.03 0.77 -0.06 -0.61 0.09 0.00 0.00 178.44 178.61 2wkw h GLN 308 N 0.13 0.87 -0.50 1.13 4.15 -1.77 0.11 115.11 119.22 2wkw h GLN 308 Ca -0.01 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.09 2wkw h GLN 308 Cb 1.13 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 2wkw h GLN 308 CO 0.09 0.94 0.24 0.28 -1.93 0.00 0.00 178.83 178.45 2wkw h VAL 309 N 0.71 1.19 -0.31 2.39 2.07 -1.19 -2.19 116.25 118.92 2wkw h VAL 309 Ca 0.13 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2wkw h VAL 309 Cb 0.59 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2wkw h VAL 309 CO 0.04 0.21 0.05 0.00 0.02 0.00 0.00 177.57 177.88 2wkw h ALA 310 N 1.08 0.31 -0.68 1.67 0.00 -0.65 -2.24 119.26 118.76 2wkw h ALA 310 Ca 0.17 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.25 2wkw h ALA 310 Cb 0.12 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 2wkw h ALA 310 CO -0.02 -0.36 0.28 -0.44 0.00 0.00 0.00 179.25 178.71 2wkw h ASP 311 N 0.15 0.30 -0.54 0.00 3.32 -0.47 0.22 116.42 119.40 2wkw h ASP 311 Ca 0.15 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2wkw h ASP 311 Cb 0.17 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2wkw h ASP 311 CO -0.21 0.16 0.35 -0.07 -1.72 0.00 0.00 179.24 177.75 2wkw h LEU 312 N 0.47 0.62 -0.23 1.55 3.38 -1.13 0.16 115.31 120.13 2wkw h LEU 312 Ca 0.35 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 2wkw h LEU 312 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wkw h LEU 312 CO -0.33 0.46 -0.03 0.40 0.09 0.00 0.00 178.44 179.04 2wkw h ILE 313 N 0.73 1.27 -0.33 1.22 2.04 -0.75 -2.52 117.51 119.16 2wkw h ILE 313 Ca 0.20 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 2wkw h ILE 313 Cb -0.07 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2wkw h ILE 313 CO -0.04 0.30 -0.04 -0.07 0.00 0.00 0.00 178.15 178.30 2wkw h LEU 314 N 0.18 0.50 -0.56 1.44 3.38 -0.34 -0.02 115.31 119.88 2wkw h LEU 314 Ca 0.06 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2wkw h LEU 314 Cb 0.46 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2wkw h LEU 314 CO 0.02 0.59 0.19 -0.78 0.09 0.00 0.00 178.44 178.55 2wkw h ASP 315 N 0.50 0.81 -0.68 -0.43 3.58 -0.61 -0.56 116.42 119.03 2wkw h ASP 315 Ca 0.10 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 2wkw h ASP 315 Cb 0.38 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2wkw h ASP 315 CO 0.02 0.79 0.27 -0.25 -2.88 0.00 0.00 179.24 177.19 2wkw h TRP 316 N 0.79 1.03 -0.29 0.28 7.01 -0.94 -2.15 115.95 121.68 2wkw h TRP 316 Ca 0.18 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 2wkw h TRP 316 Cb 0.26 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 2wkw h TRP 316 CO 0.02 0.80 0.17 0.82 -2.79 0.00 0.00 178.44 177.46 2wkw h ILE 317 N 0.96 1.11 -0.60 2.65 2.04 -0.70 -2.03 117.51 120.94 2wkw h ILE 317 Ca 0.23 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2wkw h ILE 317 Cb 0.21 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2wkw h ILE 317 CO -0.02 0.11 0.33 1.23 0.00 0.00 0.00 178.15 179.80 2wkw h GLY 318 N 0.36 0.86 2.00 5.37 0.00 -0.97 -1.03 103.07 109.65 2wkw h GLY 318 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2wkw h GLY 318 CO -0.02 0.16 0.00 3.21 0.00 0.00 0.00 176.54 179.89 2wkw h ARG 319 N 0.63 0.00 -0.26 4.80 3.08 -1.28 -3.26 114.38 118.09 2wkw h ARG 319 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2wkw h ARG 319 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2wkw h ARG 319 CO -0.16 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.83 2wkw n ASN 320 N -3.08 2.66 -0.04 7.04 3.02 -0.71 -4.43 115.26 119.71 2wkw n ASN 320 Ca 0.01 -1.86 0.01 0.00 -0.03 0.00 0.00 54.58 52.72 2wkw n ASN 320 Cb 0.34 -0.17 0.02 0.00 -0.61 0.00 0.00 39.78 39.36 2wkw n ASN 320 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2wkw n THR 321 N 0.55 0.75 0.35 3.41 -2.24 -0.47 -4.88 114.28 111.75 2wkw n THR 321 Ca 0.10 -0.80 0.03 0.00 -2.27 0.00 0.00 64.05 61.11 2wkw n THR 321 Cb 0.39 0.55 0.16 0.00 -2.10 0.00 0.00 70.33 69.34 2wkw n THR 321 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50