#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w0k s PHE 2 N 0.00 -0.00 0.17 -2.53 -0.12 -1.26 -4.78 117.98 109.46 2w0k s PHE 2 Ca 0.00 -0.16 0.03 0.00 -0.05 0.00 0.00 56.93 56.75 2w0k s PHE 2 Cb 0.00 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 2w0k s PHE 2 CO 0.00 -0.40 -0.03 0.00 -0.05 0.00 0.00 175.22 174.74 2w0k s MET 3 N -2.28 1.11 -0.18 1.99 0.23 -1.26 -4.98 119.30 113.93 2w0k s MET 3 Ca 0.21 -1.52 0.00 0.00 -1.03 0.00 0.00 55.69 53.35 2w0k s MET 3 Cb 0.01 -0.41 0.04 0.00 -1.53 0.00 0.00 34.83 32.94 2w0k s MET 3 CO -0.01 -0.06 -0.08 -0.51 -2.03 0.00 0.00 175.02 172.33 2w0k s LEU 4 N -3.18 1.87 -0.17 0.18 1.43 -1.25 -1.35 118.68 116.20 2w0k s LEU 4 Ca 0.22 -0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 2w0k s LEU 4 Cb 0.05 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 2w0k s LEU 4 CO 0.03 -0.16 0.06 0.42 0.23 0.00 0.00 176.35 176.93 2w0k s THR 5 N 1.54 4.76 0.31 5.49 -4.23 -0.49 -3.88 115.64 119.13 2w0k s THR 5 Ca 0.00 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.56 2w0k s THR 5 Cb -0.15 -3.13 -0.06 0.00 1.34 0.00 0.00 72.50 70.50 2w0k s THR 5 CO -0.08 0.49 -0.11 -1.10 -0.54 0.00 0.00 174.62 173.28 2w0k s GLN 6 N 0.15 1.72 0.52 3.99 -0.21 -1.26 -1.97 119.66 122.59 2w0k s GLN 6 Ca 0.04 -1.86 -0.22 0.00 0.02 0.00 0.00 55.36 53.34 2w0k s GLN 6 Cb -0.12 -1.57 -0.06 0.00 1.00 0.00 0.00 33.01 32.26 2w0k s GLN 6 CO 0.01 0.15 1.28 -2.14 -2.12 0.00 0.00 175.29 172.46 2w0k s PRO 7 N -3.62 3.36 0.00 2.91 0.02 -1.26 -4.80 135.00 131.61 2w0k s PRO 7 Ca 0.31 2.04 0.31 0.00 0.02 0.00 0.00 61.00 63.68 2w0k s PRO 7 Cb 0.01 -2.29 1.63 0.00 0.02 0.00 0.00 34.50 33.87 2w0k s PRO 7 CO 0.15 -0.96 2.10 -2.39 -0.33 0.00 0.00 177.00 175.57 2w0k n HIS 8 N -0.86 0.00 0.00 6.54 1.44 -1.26 -4.04 115.22 117.03 2w0k n HIS 8 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 2w0k n HIS 8 Cb 0.46 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 30.37 2w0k n HIS 8 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2w0k n SER 9 N -1.19 0.00 -4.22 4.39 2.88 -1.26 -1.83 113.62 112.39 2w0k n SER 9 Ca 0.17 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.55 2w0k n SER 9 Cb 0.21 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.56 2w0k n SER 9 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2w0k s VAL 10 N -0.12 1.20 -0.12 2.46 0.11 -0.18 -4.91 120.40 118.84 2w0k s VAL 10 Ca 0.00 -1.72 -0.11 0.00 -2.93 0.00 0.00 61.98 57.22 2w0k s VAL 10 Cb 0.00 -1.50 0.03 0.00 -1.53 0.00 0.00 36.38 33.38 2w0k s VAL 10 CO 0.00 -0.49 0.32 -0.94 -3.33 0.00 0.00 175.10 170.67 2w0k s SER 11 N -2.51 -0.33 0.15 3.54 1.04 -1.26 -0.75 113.70 113.58 2w0k s SER 11 Ca 0.08 0.64 -0.12 0.00 0.48 0.00 0.00 55.95 57.04 2w0k s SER 11 Cb -0.04 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.75 2w0k s SER 11 CO 0.02 -0.12 0.34 -0.70 0.98 0.00 0.00 173.24 173.77 2w0k s GLU 12 N 0.15 1.14 0.50 4.02 2.56 -0.90 -4.98 118.70 121.20 2w0k s GLU 12 Ca -0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 54.97 53.86 2w0k s GLU 12 Cb -0.02 0.42 -0.06 0.00 2.00 0.00 0.00 34.13 36.46 2w0k s GLU 12 CO 0.00 -0.43 0.92 -1.12 -0.56 0.00 0.00 175.26 174.08 2w0k s SER 13 N -2.90 6.49 0.55 -1.70 0.01 -1.26 0.04 113.70 114.93 2w0k s SER 13 Ca 0.11 1.38 -0.22 0.00 1.31 0.00 0.00 55.95 58.53 2w0k s SER 13 Cb 0.02 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 2w0k s SER 13 CO -0.05 -0.59 1.37 -2.84 0.41 0.00 0.00 173.24 171.54 2w0k s PRO 14 N -4.28 3.12 0.00 12.44 0.02 -1.26 -1.40 135.00 143.64 2w0k s PRO 14 Ca 0.55 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.84 2w0k s PRO 14 Cb -0.10 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 32.16 2w0k s PRO 14 CO 0.37 -1.22 0.00 0.41 -0.33 0.00 0.00 177.00 176.23 2w0k n GLY 15 N 0.73 3.30 3.89 0.52 0.00 0.81 -4.89 105.19 109.55 2w0k n GLY 15 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2w0k n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w0k s LYS 16 N -0.60 2.07 -0.12 1.61 -0.14 -0.49 -3.73 119.74 118.34 2w0k s LYS 16 Ca 0.00 0.20 -0.04 0.00 -1.36 0.00 0.00 55.97 54.77 2w0k s LYS 16 Cb 0.00 -1.95 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 2w0k s LYS 16 CO 0.00 -1.54 0.03 0.99 -0.76 0.00 0.00 175.35 174.07 2w0k s THR 17 N -3.51 4.56 0.02 2.17 2.01 -1.26 -0.79 115.64 118.84 2w0k s THR 17 Ca 0.61 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.51 2w0k s THR 17 Cb -0.11 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2w0k s THR 17 CO 0.50 0.56 -0.10 0.54 -0.69 0.00 0.00 174.62 175.43 2w0k s VAL 18 N -0.48 0.77 -0.02 3.82 0.11 -0.19 -4.97 120.40 119.44 2w0k s VAL 18 Ca 0.09 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.44 2w0k s VAL 18 Cb -0.12 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2w0k s VAL 18 CO 0.02 -0.03 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.66 2w0k s THR 19 N -0.73 1.67 -0.06 5.04 2.01 -1.26 -0.73 115.64 121.59 2w0k s THR 19 Ca -0.01 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.12 2w0k s THR 19 Cb -0.07 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.07 2w0k s THR 19 CO 0.00 0.47 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 2w0k s ILE 20 N -0.47 1.15 0.35 1.82 1.01 -0.40 -4.97 121.20 119.68 2w0k s ILE 20 Ca 0.08 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.27 2w0k s ILE 20 Cb -0.08 -1.03 -0.07 0.00 0.01 0.00 0.00 42.46 41.29 2w0k s ILE 20 CO -0.01 0.35 -0.00 -0.94 0.00 0.00 0.00 174.94 174.34 2w0k s SER 21 N 0.47 3.12 -0.11 3.58 1.04 -1.26 -0.25 113.70 120.29 2w0k s SER 21 Ca -0.11 -1.31 -0.02 0.00 0.48 0.00 0.00 55.95 54.99 2w0k s SER 21 Cb -0.14 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 65.78 2w0k s SER 21 CO 0.03 -0.45 0.02 0.00 0.98 0.00 0.00 173.24 173.82 2w0k s THR 23 N 1.97 4.86 -0.18 0.00 2.01 -0.83 -1.59 115.64 121.89 2w0k s THR 23 Ca 0.03 -0.02 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 2w0k s THR 23 Cb -0.14 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2w0k s THR 23 CO -0.06 0.54 0.41 -0.60 -0.69 0.00 0.00 174.62 174.22 2w0k s ARG 24 N -0.35 4.23 0.53 4.92 3.52 -0.44 -1.40 118.95 129.96 2w0k s ARG 24 Ca 0.09 0.26 0.31 0.00 -0.13 0.00 0.00 55.73 56.27 2w0k s ARG 24 Cb -0.12 -3.50 1.34 0.00 -1.56 0.00 0.00 34.95 31.11 2w0k s ARG 24 CO 0.02 0.03 1.98 0.66 -0.81 0.00 0.00 175.30 177.18 2w0k h SER 25 N 7.13 0.00 -4.15 -2.12 4.64 -1.54 -3.47 113.55 114.04 2w0k h SER 25 Ca -0.38 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.75 2w0k h SER 25 Cb 1.16 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.00 2w0k h SER 25 CO 0.73 0.07 -0.62 -0.94 -0.87 0.00 0.00 176.83 175.20 2w0k s SER 26 N -5.82 -0.01 0.33 4.97 1.04 -1.26 -4.98 113.70 107.97 2w0k s SER 26 Ca 0.00 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2w0k s SER 26 Cb 0.10 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2w0k s SER 26 CO 0.56 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.27 2w0k n GLY 27 N 2.55 0.59 3.33 7.32 0.00 -1.26 -4.60 105.19 113.12 2w0k n GLY 27 Ca -0.16 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2w0k n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w0k s SER 28 N -4.00 3.00 0.40 1.61 0.15 -1.26 -5.02 113.70 108.58 2w0k s SER 28 Ca 0.00 -0.60 0.13 0.00 0.70 0.00 0.00 55.95 56.18 2w0k s SER 28 Cb 0.00 -0.25 0.82 0.00 -1.71 0.00 0.00 66.02 64.87 2w0k s SER 28 CO 0.00 0.22 1.89 -0.29 1.20 0.00 0.00 173.24 176.25 2w0k h ILE 29 N 4.20 1.22 0.00 6.45 6.09 -1.85 0.82 117.51 134.45 2w0k h ILE 29 Ca -0.46 -1.03 0.00 0.00 -1.37 0.00 0.00 64.86 62.00 2w0k h ILE 29 Cb 1.15 1.55 0.00 0.00 0.47 0.00 0.00 36.82 39.99 2w0k h ILE 29 CO 0.43 0.30 0.00 0.00 -3.07 0.00 0.00 178.15 175.80 2w0k h ALA 30 N 1.69 1.00 0.00 0.18 0.00 -1.96 -3.30 119.26 116.88 2w0k h ALA 30 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2w0k h ALA 30 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2w0k h ALA 30 CO 0.04 0.00 -0.11 0.77 0.00 0.00 0.00 179.25 179.95 2w0k h SER 31 N 0.00 0.00 -5.01 0.00 0.02 -1.25 -3.44 113.55 103.88 2w0k h SER 31 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2w0k h SER 31 Cb 0.42 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.75 2w0k h SER 31 CO 0.00 0.11 -0.70 0.20 -1.14 0.00 0.00 176.83 175.31 2w0k s ASN 32 N -5.95 0.26 0.23 3.07 -0.87 -1.24 -5.10 114.94 105.34 2w0k s ASN 32 Ca -0.01 -0.55 -0.30 0.00 -1.57 0.00 0.00 52.86 50.44 2w0k s ASN 32 Cb 0.11 0.11 -0.09 0.00 -0.02 0.00 0.00 41.25 41.36 2w0k s ASN 32 CO 0.58 -0.33 1.19 -0.31 -2.57 0.00 0.00 177.10 175.65 2w0k s TYR 33 N -1.70 3.42 -0.12 2.20 2.02 -1.26 -4.90 117.35 117.01 2w0k s TYR 33 Ca -0.14 1.49 -0.03 0.00 -0.37 0.00 0.00 57.07 58.02 2w0k s TYR 33 Cb -0.08 -3.43 -0.03 0.00 -0.40 0.00 0.00 41.96 38.02 2w0k s TYR 33 CO -0.02 -1.13 -0.00 0.08 -1.57 0.00 0.00 175.55 172.91 2w0k s VAL 34 N -0.49 4.27 0.15 0.71 1.01 -1.26 -4.29 120.40 120.49 2w0k s VAL 34 Ca 0.50 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.31 2w0k s VAL 34 Cb -0.33 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2w0k s VAL 34 CO 0.40 0.56 -0.09 -1.10 0.00 0.00 0.00 175.10 174.87 2w0k s GLN 35 N -0.39 2.13 -0.09 2.72 1.11 0.96 0.16 119.66 126.25 2w0k s GLN 35 Ca 0.07 -1.14 0.01 0.00 0.01 0.00 0.00 55.36 54.31 2w0k s GLN 35 Cb -0.12 -2.25 0.02 0.00 -1.01 0.00 0.00 33.01 29.65 2w0k s GLN 35 CO 0.02 0.47 -0.10 -1.58 0.01 0.00 0.00 175.29 174.11 2w0k s TRP 36 N -1.48 1.51 -0.08 0.91 0.52 0.10 -1.38 118.94 119.03 2w0k s TRP 36 Ca 0.24 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.70 2w0k s TRP 36 Cb -0.10 -1.18 -0.02 0.00 -1.15 0.00 0.00 33.47 31.02 2w0k s TRP 36 CO 0.15 -0.42 -0.13 0.71 0.02 0.00 0.00 176.95 177.28 2w0k s TYR 37 N 1.25 2.76 -0.13 -1.98 2.02 -0.39 -0.67 117.35 120.22 2w0k s TYR 37 Ca -0.03 -0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 56.33 2w0k s TYR 37 Cb -0.14 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2w0k s TYR 37 CO -0.03 0.08 0.06 -1.14 -1.57 0.00 0.00 175.55 172.96 2w0k s GLN 38 N -0.41 3.49 -0.05 -0.62 0.74 -0.43 -0.93 119.66 121.45 2w0k s GLN 38 Ca 0.05 -0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.14 2w0k s GLN 38 Cb -0.12 -3.07 0.04 0.00 1.10 0.00 0.00 33.01 30.96 2w0k s GLN 38 CO 0.02 0.56 0.11 -1.14 -0.55 0.00 0.00 175.29 174.29 2w0k s GLN 39 N -0.46 0.03 0.25 1.67 0.74 -0.04 -0.81 119.66 121.05 2w0k s GLN 39 Ca 0.10 0.33 0.08 0.00 0.05 0.00 0.00 55.36 55.92 2w0k s GLN 39 Cb -0.12 -0.23 -0.04 0.00 1.10 0.00 0.00 33.01 33.72 2w0k s GLN 39 CO 0.02 -0.19 0.07 1.03 -0.55 0.00 0.00 175.29 175.67 2w0k s ARG 40 N 1.30 2.53 0.34 1.67 0.52 -1.26 -1.97 118.95 122.07 2w0k s ARG 40 Ca -0.07 -1.26 -0.29 0.00 -0.52 0.00 0.00 55.73 53.59 2w0k s ARG 40 Cb -0.12 -2.32 -0.12 0.00 0.52 0.00 0.00 34.95 32.91 2w0k s ARG 40 CO -0.05 0.39 1.48 -2.30 0.02 0.00 0.00 175.30 174.83 2w0k n PRO 41 N -0.92 2.54 0.00 3.54 -0.02 -1.26 -0.27 135.00 138.61 2w0k n PRO 41 Ca -0.07 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2w0k n PRO 41 Cb 0.58 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2w0k n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w0k n GLY 42 N 1.10 2.69 3.89 -1.23 0.00 -1.26 -5.00 105.19 105.38 2w0k n GLY 42 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2w0k n GLY 42 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w0k s SER 43 N -2.40 6.53 0.60 1.61 0.15 0.62 -5.10 113.70 115.70 2w0k s SER 43 Ca 0.00 0.76 -0.16 0.00 0.70 0.00 0.00 55.95 57.26 2w0k s SER 43 Cb 0.00 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 2w0k s SER 43 CO 0.00 -0.08 1.07 -0.55 1.20 0.00 0.00 173.24 174.87 2w0k s SER 44 N -2.66 5.70 0.11 5.45 0.15 -1.26 -4.54 113.70 116.65 2w0k s SER 44 Ca 0.45 1.85 -0.31 0.00 0.70 0.00 0.00 55.95 58.64 2w0k s SER 44 Cb -0.11 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.58 2w0k s SER 44 CO 0.25 -1.22 1.42 -2.84 1.20 0.00 0.00 173.24 172.05 2w0k s PRO 45 N -4.04 4.30 -0.15 5.44 0.02 -1.26 -4.62 135.00 134.69 2w0k s PRO 45 Ca 0.64 2.11 -0.03 0.00 0.02 0.00 0.00 61.00 63.74 2w0k s PRO 45 Cb -0.17 -3.27 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 2w0k s PRO 45 CO 0.37 -0.47 -0.04 0.99 -0.33 0.00 0.00 177.00 177.51 2w0k s THR 46 N 1.23 3.86 -0.19 0.99 2.01 0.01 -4.93 115.64 118.62 2w0k s THR 46 Ca 0.65 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 2w0k s THR 46 Cb -0.37 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 2w0k s THR 46 CO 0.30 0.50 1.74 -0.89 -0.69 0.00 0.00 174.62 175.59 2w0k s THR 47 N 0.26 3.51 -0.10 -0.82 2.01 -1.26 -1.31 115.64 117.93 2w0k s THR 47 Ca -0.03 0.58 0.14 0.00 0.31 0.00 0.00 61.69 62.69 2w0k s THR 47 Cb -0.14 -3.52 -0.24 0.00 0.01 0.00 0.00 72.50 68.61 2w0k s THR 47 CO 0.03 -0.22 0.46 1.33 -0.69 0.00 0.00 174.62 175.53 2w0k n VAL 48 N 6.47 1.53 -3.78 3.82 0.24 0.16 -4.74 118.33 122.04 2w0k n VAL 48 Ca 0.20 -0.82 -0.13 0.00 -2.04 0.00 0.00 64.34 61.56 2w0k n VAL 48 Cb 0.45 -0.84 -0.12 0.00 -1.47 0.00 0.00 33.84 31.85 2w0k n VAL 48 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2w0k s ILE 49 N -2.56 -0.01 0.11 1.34 -1.09 -0.76 -4.35 121.20 113.88 2w0k s ILE 49 Ca -0.07 0.04 0.05 0.00 -2.23 0.00 0.00 60.65 58.44 2w0k s ILE 49 Cb 0.07 -0.33 -0.04 0.00 -1.58 0.00 0.00 42.46 40.58 2w0k s ILE 49 CO 0.83 0.02 -0.13 -0.72 -1.23 0.00 0.00 174.94 173.70 2w0k s TYR 50 N 0.40 1.29 -1.33 3.97 -0.85 -0.32 -0.72 117.35 119.80 2w0k s TYR 50 Ca -0.02 -0.56 -0.06 0.00 -0.52 0.00 0.00 57.07 55.91 2w0k s TYR 50 Cb -0.04 -0.69 0.01 0.00 0.38 0.00 0.00 41.96 41.63 2w0k s TYR 50 CO -0.02 0.10 1.07 0.39 -1.52 0.00 0.00 175.55 175.57 2w0k n GLU 51 N 0.67 -7.06 0.00 -3.49 1.02 -1.16 -1.11 120.64 109.50 2w0k n GLU 51 Ca -0.17 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2w0k n GLU 51 Cb 0.57 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 26.20 2w0k n GLU 51 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2w0k n ASP 52 N -3.04 0.00 0.00 1.62 8.00 0.12 -4.06 116.55 119.20 2w0k n ASP 52 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2w0k n ASP 52 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 2w0k n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2w0k n ASN 53 N 2.57 0.00 -4.70 -2.24 2.04 -1.15 -3.79 115.26 107.99 2w0k n ASN 53 Ca 0.00 -0.47 -0.42 0.00 -0.44 0.00 0.00 54.58 53.25 2w0k n ASN 53 Cb 0.00 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 2w0k n ASN 53 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 2w0k s GLN 54 N 0.00 4.38 -0.30 -3.83 -1.52 -0.26 -4.47 119.66 113.66 2w0k s GLN 54 Ca 0.00 1.78 -0.12 0.00 -1.95 0.00 0.00 55.36 55.06 2w0k s GLN 54 Cb 0.00 -3.46 -0.04 0.00 -0.22 0.00 0.00 33.01 29.30 2w0k s GLN 54 CO 0.00 -0.38 0.23 1.03 -0.25 0.00 0.00 175.29 175.92 2w0k s ARG 55 N 1.69 3.83 0.98 2.91 0.52 -1.26 -1.17 118.95 126.45 2w0k s ARG 55 Ca 0.59 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.33 2w0k s ARG 55 Cb -0.28 -3.70 0.18 0.00 0.52 0.00 0.00 34.95 31.66 2w0k s ARG 55 CO 0.26 -0.27 1.07 -0.35 0.02 0.00 0.00 175.30 176.03 2w0k n PRO 56 N 5.12 -0.93 -1.58 3.54 -0.04 -1.26 -4.89 135.00 134.96 2w0k n PRO 56 Ca -0.13 -0.21 -0.49 0.00 -0.04 0.00 0.00 63.50 62.63 2w0k n PRO 56 Cb 0.51 -2.30 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 2w0k n PRO 56 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2w0k n SER 57 N -4.27 1.44 0.00 3.54 2.88 -1.26 -2.72 113.62 113.23 2w0k n SER 57 Ca 0.10 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 2w0k n SER 57 Cb 0.53 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2w0k n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2w0k n GLY 58 N 2.09 1.08 3.66 0.46 0.00 -1.26 -5.03 105.19 106.19 2w0k n GLY 58 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2w0k n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w0k s VAL 59 N -3.16 5.29 0.71 1.61 1.01 -1.10 -5.05 120.40 119.71 2w0k s VAL 59 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 2w0k s VAL 59 Cb 0.00 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2w0k s VAL 59 CO 0.00 0.30 1.26 -2.84 0.00 0.00 0.00 175.10 173.83 2w0k s PRO 60 N 1.21 2.17 0.00 2.72 0.02 -1.26 -4.89 135.00 134.97 2w0k s PRO 60 Ca 0.12 1.96 0.02 0.00 0.02 0.00 0.00 61.00 63.12 2w0k s PRO 60 Cb -0.14 -1.81 0.12 0.00 0.02 0.00 0.00 34.50 32.69 2w0k s PRO 60 CO 0.06 -1.86 0.89 -0.40 -0.33 0.00 0.00 177.00 175.36 2w0k n ASP 61 N -2.46 0.00 0.17 2.53 5.68 -1.26 -2.36 116.55 118.85 2w0k n ASP 61 Ca 0.15 -1.56 0.13 0.00 -0.50 0.00 0.00 54.79 53.02 2w0k n ASP 61 Cb 0.49 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.96 2w0k n ASP 61 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2w0k h ARG 62 N 0.00 0.00 -4.83 0.11 3.08 -1.90 -3.42 114.38 107.42 2w0k h ARG 62 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2w0k h ARG 62 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.87 2w0k h ARG 62 CO 0.00 0.00 -0.51 -0.06 -1.07 0.00 0.00 179.97 178.33 2w0k s PHE 63 N -3.35 3.21 0.06 3.04 0.40 -0.99 -2.14 117.98 118.22 2w0k s PHE 63 Ca 0.05 -0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 2w0k s PHE 63 Cb 0.09 -2.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 2w0k s PHE 63 CO 0.49 -0.25 -0.17 -1.54 0.70 0.00 0.00 175.22 174.44 2w0k s SER 64 N 1.73 2.06 -0.10 1.36 1.04 -0.76 -4.96 113.70 114.07 2w0k s SER 64 Ca 0.07 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 55.92 2w0k s SER 64 Cb -0.16 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 2w0k s SER 64 CO 0.10 0.05 0.00 -0.83 0.98 0.00 0.00 173.24 173.54 2w0k s GLY 65 N -1.44 1.84 0.10 7.32 0.00 -1.26 -0.22 107.32 113.66 2w0k s GLY 65 Ca 0.03 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 44.00 2w0k s GLY 65 CO 0.02 -0.50 -0.13 -1.35 0.00 0.00 0.00 173.10 171.15 2w0k s SER 66 N -0.72 1.71 -0.17 1.64 1.04 0.03 -4.42 113.70 112.81 2w0k s SER 66 Ca 0.11 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.80 2w0k s SER 66 Cb -0.12 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2w0k s SER 66 CO 0.02 -0.16 -0.15 -0.63 0.98 0.00 0.00 173.24 173.31 2w0k s ILE 67 N -1.92 2.66 -0.55 -1.02 -1.09 -1.26 -0.61 121.20 117.40 2w0k s ILE 67 Ca 0.04 -0.76 -0.06 0.00 -2.23 0.00 0.00 60.65 57.64 2w0k s ILE 67 Cb -0.06 -2.13 0.14 0.00 -1.58 0.00 0.00 42.46 38.83 2w0k s ILE 67 CO 0.02 0.51 0.39 -0.62 -1.23 0.00 0.00 174.94 174.01 2w0k s ASP 68 N 0.96 5.54 0.00 3.58 2.15 0.76 -4.94 116.67 124.72 2w0k s ASP 68 Ca -0.02 -2.38 0.13 0.00 0.43 0.00 0.00 52.55 50.71 2w0k s ASP 68 Cb -0.15 -1.93 0.63 0.00 -0.30 0.00 0.00 42.92 41.17 2w0k s ASP 68 CO -0.02 -0.53 1.36 -1.20 -0.17 0.00 0.00 175.17 174.61 2w0k n SER 69 N 4.20 0.00 0.23 -0.34 7.64 -1.26 -1.90 113.62 122.19 2w0k n SER 69 Ca 0.02 0.21 0.12 0.00 1.01 0.00 0.00 58.87 60.23 2w0k n SER 69 Cb 0.40 -0.35 0.32 0.00 -1.01 0.00 0.00 64.21 63.58 2w0k n SER 69 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2w0k h SER 70 N 0.00 0.00 -0.06 6.43 4.64 -1.93 -2.99 113.55 119.65 2w0k h SER 70 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2w0k h SER 70 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2w0k h SER 70 CO 0.00 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 174.49 2w0k n SER 71 N -3.14 1.81 -3.79 4.97 3.41 -0.80 -4.98 113.62 111.11 2w0k n SER 71 Ca 0.03 -1.57 -0.26 0.00 -0.26 0.00 0.00 58.87 56.81 2w0k n SER 71 Cb 0.48 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.43 2w0k n SER 71 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2w0k n ASN 72 N 0.04 -3.70 -4.13 4.04 5.15 -0.91 -4.81 115.26 110.94 2w0k n ASN 72 Ca 0.03 -0.76 -0.11 0.00 -0.60 0.00 0.00 54.58 53.15 2w0k n ASN 72 Cb 0.20 -4.13 -0.10 0.00 -0.53 0.00 0.00 39.78 35.22 2w0k n ASN 72 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2w0k s SER 73 N -3.70 1.00 0.08 1.20 1.04 -1.07 -1.33 113.70 110.93 2w0k s SER 73 Ca 0.41 -0.89 0.06 0.00 0.48 0.00 0.00 55.95 56.01 2w0k s SER 73 Cb -0.20 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 2w0k s SER 73 CO 0.81 -0.41 -0.07 0.00 0.98 0.00 0.00 173.24 174.55 2w0k s ALA 74 N -3.08 3.06 -0.00 5.32 0.00 -0.62 -0.17 121.76 126.27 2w0k s ALA 74 Ca 0.06 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2w0k s ALA 74 Cb 0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2w0k s ALA 74 CO -0.04 0.65 -0.10 -1.12 0.00 0.00 0.00 175.76 175.16 2w0k s SER 75 N -2.05 1.11 -0.26 0.00 0.01 0.22 -1.04 113.70 111.69 2w0k s SER 75 Ca 0.22 -0.21 -0.07 0.00 1.31 0.00 0.00 55.95 57.20 2w0k s SER 75 Cb -0.11 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 2w0k s SER 75 CO 0.14 0.09 0.07 -0.22 0.41 0.00 0.00 173.24 173.73 2w0k s LEU 76 N -0.35 3.56 -0.21 2.44 2.96 0.66 -0.79 118.68 126.96 2w0k s LEU 76 Ca 0.03 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 2w0k s LEU 76 Cb -0.04 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2w0k s LEU 76 CO -0.00 -0.09 0.05 -0.89 -1.32 0.00 0.00 176.35 174.11 2w0k s THR 77 N 1.58 4.50 -0.31 3.68 2.01 0.69 -1.27 115.64 126.52 2w0k s THR 77 Ca 0.05 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 2w0k s THR 77 Cb -0.16 -3.05 0.06 0.00 0.01 0.00 0.00 72.50 69.36 2w0k s THR 77 CO 0.03 0.41 0.01 -0.63 -0.69 0.00 0.00 174.62 173.76 2w0k s ILE 78 N 0.88 2.92 0.18 1.82 1.01 0.10 -1.83 121.20 126.28 2w0k s ILE 78 Ca 0.03 -1.50 -0.10 0.00 0.00 0.00 0.00 60.65 59.08 2w0k s ILE 78 Cb -0.14 -2.73 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 2w0k s ILE 78 CO 0.02 -0.17 0.51 -0.94 0.00 0.00 0.00 174.94 174.36 2w0k s SER 79 N 1.28 6.65 -1.47 3.58 1.04 -0.91 -1.02 113.70 122.85 2w0k s SER 79 Ca -0.04 0.89 -0.06 0.00 0.48 0.00 0.00 55.95 57.22 2w0k s SER 79 Cb -0.20 -2.21 0.01 0.00 0.10 0.00 0.00 66.02 63.71 2w0k s SER 79 CO -0.02 0.01 0.85 0.61 0.98 0.00 0.00 173.24 175.67 2w0k n GLY 80 N 0.21 -0.53 2.19 7.32 0.00 -0.91 -4.76 105.19 108.71 2w0k n GLY 80 Ca -0.02 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2w0k n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2w0k n LEU 81 N -4.43 0.13 -4.78 0.99 4.77 0.03 -4.32 117.00 109.39 2w0k n LEU 81 Ca -0.06 0.72 -0.23 0.00 -0.03 0.00 0.00 56.01 56.41 2w0k n LEU 81 Cb 0.60 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 2w0k n LEU 81 CO 0.54 -1.06 -0.13 -0.54 -1.33 0.00 0.00 177.39 174.87 2w0k s LYS 82 N 0.33 2.39 0.31 3.23 3.01 -1.26 -0.13 119.74 127.62 2w0k s LYS 82 Ca 0.58 -1.61 0.16 0.00 -1.01 0.00 0.00 55.97 54.09 2w0k s LYS 82 Cb -0.81 -2.19 0.25 0.00 -1.01 0.00 0.00 37.83 34.08 2w0k s LYS 82 CO 0.38 -0.03 1.53 1.79 0.51 0.00 0.00 175.35 179.53 2w0k h THR 83 N 1.37 0.88 0.00 2.17 1.35 -1.97 -2.79 112.91 113.92 2w0k h THR 83 Ca -0.43 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 2w0k h THR 83 Cb 1.26 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 2w0k h THR 83 CO 0.63 0.46 0.00 -1.84 -0.25 0.00 0.00 175.52 174.53 2w0k n GLU 84 N -3.31 0.21 0.18 4.72 0.28 -1.26 -2.19 120.64 119.27 2w0k n GLU 84 Ca 0.01 0.37 0.14 0.00 -0.16 0.00 0.00 57.16 57.51 2w0k n GLU 84 Cb 0.67 -1.85 0.46 0.00 1.43 0.00 0.00 31.44 32.15 2w0k n GLU 84 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2w0k h ASP 85 N 0.00 0.00 -1.73 -1.84 3.32 -1.90 -3.45 116.42 110.82 2w0k h ASP 85 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 2w0k h ASP 85 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2w0k h ASP 85 CO 0.00 0.00 1.28 1.21 -1.72 0.00 0.00 179.24 180.01 2w0k n GLU 86 N -2.62 1.79 -3.56 3.56 2.13 -0.93 -4.87 120.64 116.13 2w0k n GLU 86 Ca 0.03 0.58 0.02 0.00 0.66 0.00 0.00 57.16 58.45 2w0k n GLU 86 Cb 0.36 -2.72 0.01 0.00 0.27 0.00 0.00 31.44 29.36 2w0k n GLU 86 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2w0k n ALA 87 N 8.74 -2.87 -2.26 4.31 0.00 -1.07 -4.99 120.51 122.37 2w0k n ALA 87 Ca 0.30 -0.65 -0.39 0.00 0.00 0.00 0.00 53.44 52.70 2w0k n ALA 87 Cb 0.31 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 2w0k n ALA 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2w0k s ASP 88 N -3.26 7.21 -0.11 0.00 1.01 -0.83 0.57 116.67 121.26 2w0k s ASP 88 Ca 0.24 1.44 0.03 0.00 0.71 0.00 0.00 52.55 54.97 2w0k s ASP 88 Cb -0.01 -2.45 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 2w0k s ASP 88 CO -0.00 0.13 -0.22 -0.31 0.21 0.00 0.00 175.17 174.98 2w0k s TYR 89 N -0.57 2.62 -0.12 4.23 1.51 0.98 -0.86 117.35 125.12 2w0k s TYR 89 Ca 0.35 -0.99 0.03 0.00 -1.01 0.00 0.00 57.07 55.45 2w0k s TYR 89 Cb -0.21 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 2w0k s TYR 89 CO 0.22 -0.39 -0.22 0.71 -1.11 0.00 0.00 175.55 174.76 2w0k s TYR 90 N 0.37 2.56 0.55 2.71 1.51 -0.11 -0.58 117.35 124.37 2w0k s TYR 90 Ca -0.17 -1.20 -0.01 0.00 -1.01 0.00 0.00 57.07 54.69 2w0k s TYR 90 Cb -0.17 -1.73 0.03 0.00 -0.11 0.00 0.00 41.96 39.97 2w0k s TYR 90 CO 0.08 -0.53 0.80 0.00 -1.11 0.00 0.00 175.55 174.78 2w0k s GLN 92 N -4.81 0.57 0.00 0.00 -0.44 -0.48 -1.00 119.66 113.50 2w0k s GLN 92 Ca 0.55 0.78 0.00 0.00 -2.50 0.00 0.00 55.36 54.19 2w0k s GLN 92 Cb -0.10 0.22 0.00 0.00 -1.64 0.00 0.00 33.01 31.49 2w0k s GLN 92 CO 0.40 -0.08 0.00 0.45 0.50 0.00 0.00 175.29 176.55 2w0k n SER 93 N 2.93 0.00 -4.09 6.67 2.88 0.30 -0.03 113.62 122.28 2w0k n SER 93 Ca -0.15 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.23 2w0k n SER 93 Cb 0.57 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.90 2w0k n SER 93 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2w0k s TYR 94 N -0.98 0.85 0.39 0.66 1.51 -1.26 -1.34 117.35 117.18 2w0k s TYR 94 Ca 0.00 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 2w0k s TYR 94 Cb 0.00 -0.50 0.07 0.00 -0.11 0.00 0.00 41.96 41.42 2w0k s TYR 94 CO 0.00 -0.03 0.54 -0.40 -1.11 0.00 0.00 175.55 174.55 2w0k n ASP 95 N 1.62 0.93 0.26 2.29 3.85 -0.14 -4.80 116.55 120.57 2w0k n ASP 95 Ca -0.21 -1.74 0.11 0.00 -0.71 0.00 0.00 54.79 52.25 2w0k n ASP 95 Cb 0.55 -0.33 0.72 0.00 -1.35 0.00 0.00 41.12 40.71 2w0k n ASP 95 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 2w0k h SER 96 N -0.20 0.00 -0.40 -1.12 0.02 -1.98 0.22 113.55 110.09 2w0k h SER 96 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2w0k h SER 96 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2w0k h SER 96 CO 0.21 0.08 0.00 -1.54 -1.14 0.00 0.00 176.83 174.45 2w0k n SER 97 N -3.96 2.21 0.00 3.07 3.41 -1.26 -4.93 113.62 112.16 2w0k n SER 97 Ca -0.02 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 2w0k n SER 97 Cb 0.17 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2w0k n SER 97 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2w0k n ASN 98 N 0.70 -3.99 -4.76 4.04 4.13 0.77 -5.01 115.26 111.15 2w0k n ASN 98 Ca 0.14 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.99 2w0k n ASN 98 Cb 0.36 -1.52 -0.02 0.00 -1.54 0.00 0.00 39.78 37.06 2w0k n ASN 98 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2w0k s HIS 99 N -1.67 2.95 0.14 3.10 3.76 -1.26 -4.77 115.29 117.54 2w0k s HIS 99 Ca 0.00 1.15 -0.30 0.00 -0.15 0.00 0.00 55.06 55.76 2w0k s HIS 99 Cb 0.00 -3.82 -0.07 0.00 1.11 0.00 0.00 32.58 29.80 2w0k s HIS 99 CO 0.00 -2.52 1.18 0.14 -0.85 0.00 0.00 174.74 172.69 2w0k s VAL 100 N -0.50 3.80 -0.15 -0.90 -7.23 -1.26 -0.97 120.40 113.20 2w0k s VAL 100 Ca 0.56 1.43 0.01 0.00 -1.81 0.00 0.00 61.98 62.17 2w0k s VAL 100 Cb -0.42 -3.91 0.02 0.00 0.56 0.00 0.00 36.38 32.62 2w0k s VAL 100 CO 0.49 0.19 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.61 2w0k s VAL 101 N 0.33 1.77 0.00 1.32 1.01 -0.45 -4.94 120.40 119.44 2w0k s VAL 101 Ca 0.54 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2w0k s VAL 101 Cb -0.31 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2w0k s VAL 101 CO 0.33 0.49 0.19 -0.36 0.00 0.00 0.00 175.10 175.75 2w0k s PHE 102 N 1.22 3.54 0.91 5.22 0.40 -1.26 -0.54 117.98 127.46 2w0k s PHE 102 Ca 0.01 0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 56.55 2w0k s PHE 102 Cb -0.14 -1.82 0.14 0.00 0.51 0.00 0.00 43.02 41.71 2w0k s PHE 102 CO -0.08 0.64 1.13 0.20 0.70 0.00 0.00 175.22 177.81 2w0k s GLY 103 N -2.02 1.58 0.58 4.36 0.00 -0.17 -4.56 107.32 107.08 2w0k s GLY 103 Ca 0.28 -0.50 0.36 0.00 0.00 0.00 0.00 44.72 44.87 2w0k s GLY 103 CO 0.20 0.05 2.10 -1.33 0.00 0.00 0.00 173.10 174.13 2w0k h GLY 104 N -1.48 0.00 0.00 0.20 0.00 -1.88 -3.44 103.07 96.47 2w0k h GLY 104 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2w0k h GLY 104 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 2w0k n GLY 105 N -1.16 -0.88 2.93 4.60 0.00 -1.26 -5.01 105.19 104.41 2w0k n GLY 105 Ca -0.02 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 2w0k n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w0k s THR 106 N -2.64 1.23 -0.42 2.61 2.01 0.25 -4.27 115.64 114.41 2w0k s THR 106 Ca 0.00 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.17 2w0k s THR 106 Cb 0.00 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 2w0k s THR 106 CO 0.00 0.29 1.75 -0.75 -0.69 0.00 0.00 174.62 175.22 2w0k s LYS 107 N 1.60 3.18 -0.34 4.92 2.36 -0.76 -0.02 119.74 130.70 2w0k s LYS 107 Ca 0.03 1.11 -0.26 0.00 -2.55 0.00 0.00 55.97 54.30 2w0k s LYS 107 Cb -0.14 -4.22 0.01 0.00 -1.05 0.00 0.00 37.83 32.44 2w0k s LYS 107 CO -0.09 -2.04 0.95 -1.17 1.55 0.00 0.00 175.35 174.55 2w0k s LEU 108 N 7.22 3.99 -0.13 5.43 2.96 0.19 -1.01 118.68 137.33 2w0k s LEU 108 Ca 0.73 0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 55.31 2w0k s LEU 108 Cb -0.18 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 2w0k s LEU 108 CO 0.30 -0.81 0.20 -0.89 -1.32 0.00 0.00 176.35 173.83 2w0k s THR 109 N 3.43 5.38 -0.16 3.68 2.01 0.07 -2.58 115.64 127.47 2w0k s THR 109 Ca 0.40 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.73 2w0k s THR 109 Cb -0.12 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 2w0k s THR 109 CO 0.16 0.52 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.81 2w0k s VAL 110 N -0.38 3.05 -2.51 3.82 1.01 -1.26 -2.11 120.40 122.02 2w0k s VAL 110 Ca 0.14 -0.64 0.28 0.00 0.00 0.00 0.00 61.98 61.77 2w0k s VAL 110 Cb -0.13 -2.32 0.54 0.00 0.00 0.00 0.00 36.38 34.48 2w0k s VAL 110 CO 0.04 0.49 1.74 0.18 0.00 0.00 0.00 175.10 177.55