#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k n SER 2 N 0.00 -2.16 -3.49 1.61 3.41 -1.26 -4.89 113.62 106.85 1x5k n SER 2 Ca 0.00 -1.16 -0.15 0.00 -0.26 0.00 0.00 58.87 57.30 1x5k n SER 2 Cb 0.00 -2.04 -0.04 0.00 -0.26 0.00 0.00 64.21 61.87 1x5k n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x5k s SER 3 N -3.36 -0.58 0.00 4.04 1.04 -1.26 -5.01 113.70 108.58 1x5k s SER 3 Ca 0.74 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1x5k s SER 3 Cb -0.42 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1x5k s SER 3 CO 0.99 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1x5k n GLY 4 N 0.32 0.54 3.82 7.32 0.00 -1.26 -5.06 105.19 110.87 1x5k n GLY 4 Ca -0.18 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1x5k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5k s SER 5 N -2.66 6.48 -0.68 1.61 1.04 -1.26 -4.89 113.70 113.34 1x5k s SER 5 Ca 0.00 1.72 -0.30 0.00 0.48 0.00 0.00 55.95 57.86 1x5k s SER 5 Cb 0.00 -2.53 -0.14 0.00 0.10 0.00 0.00 66.02 63.45 1x5k s SER 5 CO 0.00 -0.68 2.50 -1.20 0.98 0.00 0.00 173.24 174.84 1x5k n SER 6 N -1.30 1.41 0.00 7.02 7.64 -1.26 -4.31 113.62 122.82 1x5k n SER 6 Ca 0.08 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1x5k n SER 6 Cb 0.53 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1x5k n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5k n GLY 7 N 6.32 -1.38 3.60 0.23 0.00 -1.26 -5.10 105.19 107.61 1x5k n GLY 7 Ca 0.50 0.67 -0.43 0.00 0.00 0.00 0.00 46.02 46.76 1x5k n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5k s THR 8 N 0.56 3.82 0.32 2.61 -4.23 -1.26 -4.96 115.64 112.50 1x5k s THR 8 Ca 0.00 0.84 0.07 0.00 -1.18 0.00 0.00 61.69 61.42 1x5k s THR 8 Cb 0.00 -4.09 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 1x5k s THR 8 CO 0.00 -0.68 0.25 0.00 -0.54 0.00 0.00 174.62 173.65 1x5k n ALA 9 N 9.08 0.67 -1.83 3.99 0.00 -1.26 -5.03 120.51 126.13 1x5k n ALA 9 Ca 0.18 -1.87 -0.35 0.00 0.00 0.00 0.00 53.44 51.40 1x5k n ALA 9 Cb 0.48 1.48 -0.02 0.00 0.00 0.00 0.00 19.45 21.39 1x5k n ALA 9 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1x5k n HIS 10 N -0.64 2.21 0.00 0.00 -0.00 -1.26 -4.91 115.22 110.62 1x5k n HIS 10 Ca 0.06 -2.42 0.00 0.00 -0.00 0.00 0.00 57.72 55.36 1x5k n HIS 10 Cb 0.58 -1.57 0.00 0.00 -0.00 0.00 0.00 29.99 28.99 1x5k n HIS 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1x5k n GLY 11 N 1.15 2.24 0.17 -1.41 0.00 -1.26 -4.95 105.19 101.13 1x5k n GLY 11 Ca 0.55 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 1x5k n GLY 11 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x5k h THR 12 N 1.49 0.52 -3.39 2.61 2.02 -1.99 -3.44 112.91 110.73 1x5k h THR 12 Ca 0.00 -0.91 -0.60 0.00 0.77 0.00 0.00 66.41 65.67 1x5k h THR 12 Cb 0.00 0.86 -0.11 0.00 -1.74 0.00 0.00 68.15 67.15 1x5k h THR 12 CO 0.00 0.13 -0.35 -0.89 0.37 0.00 0.00 175.52 174.78 1x5k s THR 13 N -3.40 5.30 -0.04 3.16 2.01 -1.26 -5.08 115.64 116.33 1x5k s THR 13 Ca -0.11 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.39 1x5k s THR 13 Cb 0.01 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1x5k s THR 13 CO 0.38 0.35 -0.09 0.12 -0.69 0.00 0.00 174.62 174.69 1x5k s PHE 14 N 0.78 1.06 0.33 4.92 5.36 -1.26 -5.03 117.98 124.14 1x5k s PHE 14 Ca 0.14 -0.31 0.08 0.00 -0.96 0.00 0.00 56.93 55.89 1x5k s PHE 14 Cb -0.13 -0.79 -0.06 0.00 -0.34 0.00 0.00 43.02 41.70 1x5k s PHE 14 CO 0.04 -0.16 -0.07 -1.21 -1.46 0.00 0.00 175.22 172.37 1x5k s GLU 15 N 0.42 1.76 -0.19 10.12 2.02 -1.26 -5.02 118.70 126.55 1x5k s GLU 15 Ca -0.07 -1.92 -0.04 0.00 0.02 0.00 0.00 54.97 52.96 1x5k s GLU 15 Cb -0.11 -1.52 0.09 0.00 0.10 0.00 0.00 34.13 32.69 1x5k s GLU 15 CO 0.01 0.08 0.26 -0.51 0.02 0.00 0.00 175.26 175.12 1x5k s LEU 16 N -3.57 -0.25 0.54 1.80 1.43 -0.58 -5.06 118.68 112.98 1x5k s LEU 16 Ca 0.32 0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.27 1x5k s LEU 16 Cb 0.04 0.60 -0.08 0.00 0.03 0.00 0.00 46.19 46.77 1x5k s LEU 16 CO 0.15 -0.30 0.73 1.33 0.23 0.00 0.00 176.35 178.49 1x5k n VAL 17 N 5.33 2.65 -2.04 -1.59 0.24 -1.26 -4.19 118.33 117.47 1x5k n VAL 17 Ca -0.05 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.35 1x5k n VAL 17 Cb 0.50 -0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 1x5k n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5k s PRO 18 N -2.21 2.78 -0.06 7.34 0.04 -1.26 -4.83 135.00 136.80 1x5k s PRO 18 Ca 0.69 0.76 0.03 0.00 0.04 0.00 0.00 61.00 62.52 1x5k s PRO 18 Cb -0.47 -4.34 0.17 0.00 0.04 0.00 0.00 34.50 29.90 1x5k s PRO 18 CO 0.53 -2.54 0.81 -2.37 0.04 0.00 0.00 177.00 173.47 1x5k n THR 19 N 7.24 0.69 -4.21 1.26 5.66 -1.26 -4.03 114.28 119.63 1x5k n THR 19 Ca 0.21 -0.31 -0.16 0.00 -3.05 0.00 0.00 64.05 60.73 1x5k n THR 19 Cb 0.51 -0.50 -0.14 0.00 -1.55 0.00 0.00 70.33 68.66 1x5k n THR 19 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1x5k s SER 20 N -0.09 0.94 0.86 1.09 1.04 -1.26 -4.78 113.70 111.49 1x5k s SER 20 Ca 0.12 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.16 1x5k s SER 20 Cb 0.09 -0.06 0.11 0.00 0.10 0.00 0.00 66.02 66.26 1x5k s SER 20 CO 0.03 0.00 1.09 -2.16 0.98 0.00 0.00 173.24 173.19 1x5k s PRO 21 N -0.66 1.56 0.93 4.02 0.04 -1.26 -4.75 135.00 134.88 1x5k s PRO 21 Ca -0.01 0.92 -0.16 0.00 0.04 0.00 0.00 61.00 61.80 1x5k s PRO 21 Cb -0.05 -1.84 0.23 0.00 0.04 0.00 0.00 34.50 32.88 1x5k s PRO 21 CO 0.00 -2.06 0.82 -0.35 0.04 0.00 0.00 177.00 175.45 1x5k n PRO 22 N -3.77 -2.64 -4.22 0.56 -0.04 -1.26 -4.48 135.00 119.15 1x5k n PRO 22 Ca 0.08 -1.31 -0.18 0.00 -0.04 0.00 0.00 63.50 62.05 1x5k n PRO 22 Cb 0.55 -1.23 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 1x5k n PRO 22 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x5k s LYS 23 N -4.86 1.79 -1.53 0.54 1.02 -1.08 -4.86 119.74 110.77 1x5k s LYS 23 Ca 0.53 -1.92 -0.11 0.00 0.02 0.00 0.00 55.97 54.49 1x5k s LYS 23 Cb -0.05 0.36 0.08 0.00 -0.52 0.00 0.00 37.83 37.70 1x5k s LYS 23 CO 0.41 -0.69 0.78 -3.47 -0.92 0.00 0.00 175.35 171.46 1x5k n ASP 24 N -1.46 -3.00 -4.71 2.83 2.03 -1.26 -1.64 116.55 109.33 1x5k n ASP 24 Ca 0.05 -0.89 -0.42 0.00 0.52 0.00 0.00 54.79 54.05 1x5k n ASP 24 Cb 0.62 -3.43 -0.03 0.00 -0.72 0.00 0.00 41.12 37.56 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1x5k s VAL 25 N -3.48 4.40 -0.07 5.18 1.01 -1.26 -3.97 120.40 122.20 1x5k s VAL 25 Ca 0.47 1.72 -0.14 0.00 0.00 0.00 0.00 61.98 64.02 1x5k s VAL 25 Cb -0.24 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.07 1x5k s VAL 25 CO 0.87 0.10 0.34 0.42 0.00 0.00 0.00 175.10 176.83 1x5k s THR 26 N 1.30 0.03 -0.27 3.92 -4.23 0.13 -5.00 115.64 111.52 1x5k s THR 26 Ca 0.55 -0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1x5k s THR 26 Cb -0.25 -0.57 0.08 0.00 1.34 0.00 0.00 72.50 73.09 1x5k s THR 26 CO 0.27 -0.13 0.01 -0.69 -0.54 0.00 0.00 174.62 173.54 1x5k s VAL 27 N -0.59 1.38 0.37 2.29 1.01 -1.26 -1.05 120.40 122.55 1x5k s VAL 27 Ca -0.07 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.60 1x5k s VAL 27 Cb -0.04 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1x5k s VAL 27 CO 0.03 -0.35 0.33 0.68 0.00 0.00 0.00 175.10 175.79 1x5k s VAL 28 N 1.42 3.16 0.28 2.92 -7.23 -0.49 -4.99 120.40 115.46 1x5k s VAL 28 Ca 0.02 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 1x5k s VAL 28 Cb -0.18 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1x5k s VAL 28 CO -0.12 -0.10 0.10 -0.94 -0.31 0.00 0.00 175.10 173.73 1x5k s SER 29 N -4.06 4.90 -0.13 4.85 1.04 -1.26 -0.86 113.70 118.18 1x5k s SER 29 Ca 0.44 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.22 1x5k s SER 29 Cb -0.05 -0.99 -0.05 0.00 0.10 0.00 0.00 66.02 65.04 1x5k s SER 29 CO 0.27 -0.09 0.21 -0.75 0.98 0.00 0.00 173.24 173.86 1x5k s LYS 30 N -3.78 3.85 -0.00 4.02 2.20 -0.68 -4.74 119.74 120.61 1x5k s LYS 30 Ca 0.34 -0.02 -0.16 0.00 -0.36 0.00 0.00 55.97 55.77 1x5k s LYS 30 Cb -0.06 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.88 1x5k s LYS 30 CO 0.22 0.55 0.83 1.49 -0.36 0.00 0.00 175.35 178.08 1x5k h GLU 31 N 5.66 -0.56 -1.07 4.03 4.81 -1.96 -3.21 114.58 122.28 1x5k h GLU 31 Ca -0.48 0.04 0.41 0.00 -0.13 0.00 0.00 59.36 59.19 1x5k h GLU 31 Cb 1.20 0.13 -0.17 0.00 0.63 0.00 0.00 28.75 30.54 1x5k h GLU 31 CO 0.66 -0.38 0.61 0.78 -0.73 0.00 0.00 179.01 179.96 1x5k h GLY 32 N -0.88 2.06 -6.40 1.92 0.00 -1.97 -3.37 103.07 94.42 1x5k h GLY 32 Ca -0.06 -0.16 -0.32 0.00 0.00 0.00 0.00 47.33 46.79 1x5k h GLY 32 CO 0.10 -0.68 -0.74 1.25 0.00 0.00 0.00 176.54 176.47 1x5k s LYS 33 N -5.50 0.16 -0.02 4.80 2.36 -1.21 -5.06 119.74 115.26 1x5k s LYS 33 Ca -0.09 0.11 -0.25 0.00 -2.55 0.00 0.00 55.97 53.20 1x5k s LYS 33 Cb 0.33 -0.37 -0.19 0.00 -1.05 0.00 0.00 37.83 36.55 1x5k s LYS 33 CO 0.79 -0.14 1.19 -1.00 1.55 0.00 0.00 175.35 177.74 1x5k h PRO 34 N 7.21 -0.11 -0.79 4.03 0.13 -1.74 -3.19 132.00 137.54 1x5k h PRO 34 Ca -0.43 0.01 0.14 0.00 -0.87 0.00 0.00 66.00 64.85 1x5k h PRO 34 Cb 1.13 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 1x5k h PRO 34 CO 0.48 0.33 0.52 0.87 -0.23 0.00 0.00 178.00 179.97 1x5k h LYS 35 N -0.61 0.50 -6.76 0.86 1.57 -1.89 -3.41 116.57 106.83 1x5k h LYS 35 Ca -0.01 -0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.23 1x5k h LYS 35 Cb 0.50 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.71 1x5k h LYS 35 CO 0.02 0.33 0.51 0.99 -0.57 0.00 0.00 179.45 180.73 1x5k s THR 36 N -5.50 3.48 0.06 -0.16 2.01 -1.21 -4.05 115.64 110.27 1x5k s THR 36 Ca -0.09 1.39 -0.00 0.00 0.31 0.00 0.00 61.69 63.30 1x5k s THR 36 Cb 0.21 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1x5k s THR 36 CO 0.77 0.29 -0.04 0.27 -0.69 0.00 0.00 174.62 175.23 1x5k s ILE 37 N -0.75 0.31 -0.15 1.82 -4.36 -0.36 -1.69 121.20 116.01 1x5k s ILE 37 Ca 0.48 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 1x5k s ILE 37 Cb -0.33 -1.44 0.03 0.00 1.25 0.00 0.00 42.46 41.98 1x5k s ILE 37 CO 0.40 -0.92 -0.11 -0.63 0.24 0.00 0.00 174.94 173.92 1x5k s ILE 38 N -3.62 1.42 -0.39 8.37 1.09 -0.04 -2.22 121.20 125.81 1x5k s ILE 38 Ca 0.06 -0.65 -0.17 0.00 -1.10 0.00 0.00 60.65 58.79 1x5k s ILE 38 Cb 0.06 -1.42 0.01 0.00 -1.06 0.00 0.00 42.46 40.05 1x5k s ILE 38 CO -0.08 0.34 0.46 -0.69 -0.10 0.00 0.00 174.94 174.87 1x5k s VAL 39 N 1.53 5.06 -0.23 2.92 1.01 -0.91 -1.40 120.40 128.38 1x5k s VAL 39 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1x5k s VAL 39 Cb -0.14 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1x5k s VAL 39 CO -0.09 -0.32 0.10 0.20 0.00 0.00 0.00 175.10 174.98 1x5k s ASN 40 N 1.80 5.59 0.19 3.32 -0.87 -0.21 -2.75 114.94 122.00 1x5k s ASN 40 Ca 0.15 -0.02 0.03 0.00 -1.57 0.00 0.00 52.86 51.45 1x5k s ASN 40 Cb -0.16 -1.99 -0.01 0.00 -0.02 0.00 0.00 41.25 39.07 1x5k s ASN 40 CO 0.14 0.06 0.18 -2.67 -2.57 0.00 0.00 177.10 172.24 1x5k n TRP 41 N 4.30 -0.58 -3.94 2.20 2.14 -0.82 -0.69 117.44 120.05 1x5k n TRP 41 Ca -0.16 -1.48 -0.09 0.00 2.07 0.00 0.00 57.50 57.85 1x5k n TRP 41 Cb 0.52 0.20 -0.08 0.00 -0.81 0.00 0.00 31.31 31.14 1x5k n TRP 41 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1x5k s GLN 42 N -2.67 0.87 0.60 -2.67 -0.21 -0.65 -4.77 119.66 110.16 1x5k s GLN 42 Ca 0.20 -1.08 -0.17 0.00 0.02 0.00 0.00 55.36 54.33 1x5k s GLN 42 Cb 0.01 0.32 -0.03 0.00 1.00 0.00 0.00 33.01 34.30 1x5k s GLN 42 CO 0.14 -0.27 1.12 -1.25 -2.12 0.00 0.00 175.29 172.92 1x5k s PRO 43 N -3.90 3.09 0.27 2.91 0.04 -1.26 -2.62 135.00 133.53 1x5k s PRO 43 Ca 0.09 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 1x5k s PRO 43 Cb 0.05 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1x5k s PRO 43 CO -0.08 -1.04 1.25 -1.25 0.04 0.00 0.00 177.00 175.92 1x5k s PRO 44 N -3.67 4.44 0.45 0.56 0.04 -1.26 -4.39 135.00 131.17 1x5k s PRO 44 Ca 0.70 2.05 0.25 0.00 0.04 0.00 0.00 61.00 64.05 1x5k s PRO 44 Cb -0.22 -3.14 1.28 0.00 0.04 0.00 0.00 34.50 32.45 1x5k s PRO 44 CO 0.34 -0.10 1.76 0.77 0.04 0.00 0.00 177.00 179.80 1x5k h SER 45 N 4.17 0.29 -1.76 6.66 0.02 -1.94 -3.23 113.55 117.75 1x5k h SER 45 Ca -0.47 0.07 -0.67 0.00 -0.84 0.00 0.00 61.79 59.87 1x5k h SER 45 Cb 1.22 0.02 -0.14 0.00 0.14 0.00 0.00 62.40 63.64 1x5k h SER 45 CO 0.70 0.02 1.34 -1.61 -1.14 0.00 0.00 176.83 176.15 1x5k s GLU 46 N -5.30 3.76 -1.07 3.45 0.41 -1.26 -4.89 118.70 113.80 1x5k s GLU 46 Ca -0.07 -1.80 -0.03 0.00 -0.41 0.00 0.00 54.97 52.65 1x5k s GLU 46 Cb 0.25 -5.17 0.31 0.00 -1.78 0.00 0.00 34.13 27.75 1x5k s GLU 46 CO 0.80 -1.97 1.59 0.00 -0.49 0.00 0.00 175.26 175.20 1x5k n ALA 47 N 7.28 5.45 -0.77 5.21 0.00 -1.22 -4.76 120.51 131.70 1x5k n ALA 47 Ca 0.33 -4.75 -0.09 0.00 0.00 0.00 0.00 53.44 48.94 1x5k n ALA 47 Cb 0.48 -2.32 -0.13 0.00 0.00 0.00 0.00 19.45 17.48 1x5k n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1x5k n ASN 48 N 0.96 4.17 0.00 0.00 3.02 -1.26 -4.78 115.26 117.37 1x5k n ASN 48 Ca 0.32 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1x5k n ASN 48 Cb 0.31 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1x5k n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5k n GLY 49 N 2.54 0.41 3.61 7.41 0.00 -1.26 -1.52 105.19 116.39 1x5k n GLY 49 Ca 0.32 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1x5k n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5k s LYS 50 N -1.85 3.99 0.05 1.61 2.47 -1.26 -5.02 119.74 119.73 1x5k s LYS 50 Ca 0.00 0.42 -0.31 0.00 -1.56 0.00 0.00 55.97 54.53 1x5k s LYS 50 Cb 0.00 -3.70 -0.07 0.00 -1.46 0.00 0.00 37.83 32.60 1x5k s LYS 50 CO 0.00 -0.51 1.55 0.42 0.16 0.00 0.00 175.35 176.96 1x5k s ILE 51 N 2.59 3.27 -0.12 5.43 -1.09 -1.26 -4.19 121.20 125.83 1x5k s ILE 51 Ca 0.26 0.72 0.13 0.00 -2.23 0.00 0.00 60.65 59.54 1x5k s ILE 51 Cb -0.15 -3.46 -0.24 0.00 -1.58 0.00 0.00 42.46 37.03 1x5k s ILE 51 CO 0.10 0.00 0.38 0.35 -1.23 0.00 0.00 174.94 174.55 1x5k n THR 52 N 4.63 1.53 -3.70 2.92 -2.24 -1.07 -4.89 114.28 111.46 1x5k n THR 52 Ca 0.15 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1x5k n THR 52 Cb 0.42 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1x5k n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5k n GLY 53 N 1.68 0.63 3.23 3.38 0.00 -0.97 -4.41 105.19 108.72 1x5k n GLY 53 Ca -0.25 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1x5k n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5k s TYR 54 N -2.57 -0.15 0.01 1.61 1.51 -1.22 -2.61 117.35 113.93 1x5k s TYR 54 Ca 0.00 0.20 0.07 0.00 -1.01 0.00 0.00 57.07 56.34 1x5k s TYR 54 Cb 0.00 0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 41.91 1x5k s TYR 54 CO 0.00 -0.39 -0.22 0.42 -1.11 0.00 0.00 175.55 174.25 1x5k s ILE 55 N -1.44 1.78 -0.04 2.71 1.01 -1.06 0.26 121.20 124.41 1x5k s ILE 55 Ca -0.13 -1.08 0.06 0.00 0.00 0.00 0.00 60.65 59.50 1x5k s ILE 55 Cb -0.05 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1x5k s ILE 55 CO 0.03 0.39 -0.23 -0.63 0.00 0.00 0.00 174.94 174.50 1x5k s ILE 56 N -0.64 1.89 -0.10 2.92 1.01 -0.47 -2.58 121.20 123.23 1x5k s ILE 56 Ca 0.09 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1x5k s ILE 56 Cb -0.09 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1x5k s ILE 56 CO 0.00 0.53 -0.22 -0.31 0.00 0.00 0.00 174.94 174.95 1x5k s TYR 57 N -0.30 2.37 0.01 3.97 1.51 -0.23 -0.29 117.35 124.39 1x5k s TYR 57 Ca 0.02 -0.97 -0.06 0.00 -1.01 0.00 0.00 57.07 55.05 1x5k s TYR 57 Cb -0.11 -1.60 -0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1x5k s TYR 57 CO 0.02 -0.40 0.10 1.52 -1.11 0.00 0.00 175.55 175.67 1x5k s TYR 58 N 0.42 0.11 -0.13 2.71 -0.85 -1.23 0.09 117.35 118.46 1x5k s TYR 58 Ca -0.18 -0.28 -0.33 0.00 -0.52 0.00 0.00 57.07 55.76 1x5k s TYR 58 Cb -0.17 -0.09 0.13 0.00 0.38 0.00 0.00 41.96 42.20 1x5k s TYR 58 CO 0.08 -0.29 1.18 0.45 -1.52 0.00 0.00 175.55 175.45 1x5k s SER 59 N -1.57 -0.15 -0.10 -0.18 0.15 -1.20 -2.66 113.70 108.00 1x5k s SER 59 Ca -0.13 -0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.45 1x5k s SER 59 Cb -0.07 0.18 -0.11 0.00 -1.71 0.00 0.00 66.02 64.31 1x5k s SER 59 CO -0.00 -0.30 2.99 0.35 1.20 0.00 0.00 173.24 177.48 1x5k n THR 60 N -0.18 2.82 -3.64 6.45 -2.24 -1.26 -3.56 114.28 112.66 1x5k n THR 60 Ca -0.02 -1.55 -0.09 0.00 -2.27 0.00 0.00 64.05 60.12 1x5k n THR 60 Cb 0.59 -1.76 -0.07 0.00 -2.10 0.00 0.00 70.33 66.99 1x5k n THR 60 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x5k s ASP 61 N 1.56 -0.56 -0.03 3.42 1.01 -1.26 -5.04 116.67 115.78 1x5k s ASP 61 Ca 0.48 1.03 0.20 0.00 0.71 0.00 0.00 52.55 54.97 1x5k s ASP 61 Cb 0.25 1.09 -0.25 0.00 1.01 0.00 0.00 42.92 45.02 1x5k s ASP 61 CO -0.04 -0.17 0.51 0.55 0.21 0.00 0.00 175.17 176.22 1x5k n VAL 62 N 2.68 0.56 0.69 -1.27 3.14 -1.26 -4.24 118.33 118.63 1x5k n VAL 62 Ca -0.14 -0.61 0.11 0.00 -2.96 0.00 0.00 64.34 60.73 1x5k n VAL 62 Cb 0.56 -0.25 -0.09 0.00 -1.06 0.00 0.00 33.84 33.01 1x5k n VAL 62 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1x5k n ASN 63 N -2.51 0.67 -4.65 6.55 3.02 -1.26 -4.96 115.26 112.12 1x5k n ASN 63 Ca -0.11 -0.58 -0.47 0.00 -0.03 0.00 0.00 54.58 53.39 1x5k n ASN 63 Cb 0.74 1.15 -0.04 0.00 -0.61 0.00 0.00 39.78 41.02 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5k n ALA 64 N -1.74 0.70 -1.55 5.41 0.00 -1.26 -4.83 120.51 117.25 1x5k n ALA 64 Ca 0.02 0.45 -0.50 0.00 0.00 0.00 0.00 53.44 53.41 1x5k n ALA 64 Cb 0.41 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 1x5k n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x5k n GLU 65 N 2.68 0.87 -0.32 0.00 4.71 -1.26 -4.75 120.64 122.56 1x5k n GLU 65 Ca 0.15 0.31 0.28 0.00 -0.01 0.00 0.00 57.16 57.89 1x5k n GLU 65 Cb 0.28 -1.73 0.53 0.00 -1.01 0.00 0.00 31.44 29.50 1x5k n GLU 65 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1x5k h ILE 66 N 2.45 0.09 -0.66 -3.67 6.09 -1.96 1.38 117.51 121.24 1x5k h ILE 66 Ca -0.42 -0.03 -0.03 0.00 -1.37 0.00 0.00 64.86 63.00 1x5k h ILE 66 Cb 1.37 -0.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.61 1x5k h ILE 66 CO 0.67 0.02 0.28 1.12 -3.07 0.00 0.00 178.15 177.17 1x5k h HIS 67 N 0.10 0.96 -0.06 2.19 2.07 -2.01 -1.91 115.15 116.49 1x5k h HIS 67 Ca 0.79 -0.05 0.02 0.00 -2.85 0.00 0.00 60.37 58.28 1x5k h HIS 67 Cb 1.99 -0.30 -0.00 0.00 2.57 0.00 0.00 27.41 31.68 1x5k h HIS 67 CO -0.05 0.73 0.05 0.22 -3.07 0.00 0.00 177.93 175.81 1x5k h ASP 68 N 0.94 0.00 -3.20 3.10 3.58 0.16 -3.42 116.42 117.58 1x5k h ASP 68 Ca 0.22 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.15 1x5k h ASP 68 Cb 0.16 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.23 1x5k h ASP 68 CO -0.02 0.00 0.65 0.26 -2.88 0.00 0.00 179.24 177.25 1x5k s TRP 69 N -4.90 3.31 0.63 0.28 0.52 -0.72 -4.98 118.94 113.09 1x5k s TRP 69 Ca -0.05 1.16 -0.18 0.00 0.02 0.00 0.00 56.10 57.05 1x5k s TRP 69 Cb 0.16 -3.57 -0.03 0.00 -1.15 0.00 0.00 33.47 28.89 1x5k s TRP 69 CO 0.63 -1.87 1.16 1.55 0.02 0.00 0.00 176.95 178.44 1x5k n VAL 70 N 3.41 4.46 -3.62 4.03 3.14 -1.09 -4.82 118.33 123.85 1x5k n VAL 70 Ca 0.09 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.56 1x5k n VAL 70 Cb 0.44 -1.36 -0.11 0.00 -1.06 0.00 0.00 33.84 31.75 1x5k n VAL 70 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1x5k s ILE 71 N -1.44 4.36 -0.86 1.55 1.01 -1.26 -3.58 121.20 120.97 1x5k s ILE 71 Ca 0.80 -1.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 1x5k s ILE 71 Cb -0.39 -3.53 0.22 0.00 0.01 0.00 0.00 42.46 38.77 1x5k s ILE 71 CO 0.43 -0.34 0.76 -1.61 0.00 0.00 0.00 174.94 174.19 1x5k s GLU 72 N 1.49 3.35 0.22 2.79 0.41 0.60 -4.96 118.70 122.59 1x5k s GLU 72 Ca 0.02 -2.96 -0.30 0.00 -0.41 0.00 0.00 54.97 51.32 1x5k s GLU 72 Cb -0.21 -4.10 -0.09 0.00 -1.78 0.00 0.00 34.13 27.95 1x5k s GLU 72 CO 0.05 -1.24 1.29 -1.25 -0.49 0.00 0.00 175.26 173.61 1x5k s PRO 73 N -0.78 4.41 -0.32 0.39 0.04 -1.26 -1.37 135.00 136.09 1x5k s PRO 73 Ca 0.24 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.24 1x5k s PRO 73 Cb -0.11 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1x5k s PRO 73 CO -0.09 -0.21 0.13 0.08 0.04 0.00 0.00 177.00 176.95 1x5k s VAL 74 N -0.13 4.25 0.66 -0.36 1.01 0.14 -4.97 120.40 121.00 1x5k s VAL 74 Ca 0.55 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 1x5k s VAL 74 Cb -0.36 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1x5k s VAL 74 CO 0.40 -0.02 1.09 0.68 0.00 0.00 0.00 175.10 177.25 1x5k s VAL 75 N 1.53 3.42 0.38 2.92 -7.23 -1.26 -3.44 120.40 116.72 1x5k s VAL 75 Ca 0.02 0.62 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1x5k s VAL 75 Cb -0.18 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.61 1x5k s VAL 75 CO 0.04 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 1x5k n GLY 76 N -0.80 -2.07 3.39 2.32 0.00 -1.26 -4.16 105.19 102.61 1x5k n GLY 76 Ca 0.10 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1x5k n GLY 76 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5k n ASN 77 N -4.32 4.76 -4.57 1.61 4.13 -1.26 -4.54 115.26 111.07 1x5k n ASN 77 Ca -0.01 -2.91 -0.30 0.00 1.68 0.00 0.00 54.58 53.04 1x5k n ASN 77 Cb 0.67 -1.71 -0.10 0.00 -1.54 0.00 0.00 39.78 37.10 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1x5k s ARG 78 N 3.72 2.18 0.00 3.52 6.06 -1.26 -5.02 118.95 128.14 1x5k s ARG 78 Ca 0.51 -0.98 0.03 0.00 -2.50 0.00 0.00 55.73 52.79 1x5k s ARG 78 Cb 0.05 -2.32 0.05 0.00 0.06 0.00 0.00 34.95 32.79 1x5k s ARG 78 CO 0.04 0.52 0.81 1.28 -2.50 0.00 0.00 175.30 175.45 1x5k n LEU 79 N 0.88 1.70 -4.00 -0.88 4.77 -1.26 -4.73 117.00 113.49 1x5k n LEU 79 Ca -0.14 -1.45 -0.13 0.00 -0.03 0.00 0.00 56.01 54.26 1x5k n LEU 79 Cb 0.52 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1x5k n LEU 79 CO 0.32 0.41 -0.39 0.28 -1.33 0.00 0.00 177.39 176.68 1x5k s THR 80 N -0.59 0.34 0.08 -5.08 -1.32 -1.26 -1.94 115.64 105.87 1x5k s THR 80 Ca 0.05 -0.71 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 1x5k s THR 80 Cb 0.03 -0.39 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 1x5k s THR 80 CO 0.04 -0.25 -0.08 -2.28 -2.21 0.00 0.00 174.62 169.84 1x5k s HIS 81 N -0.95 0.88 -0.22 9.09 2.46 -1.11 -4.99 115.29 120.45 1x5k s HIS 81 Ca -0.07 -0.68 0.02 0.00 0.47 0.00 0.00 55.06 54.80 1x5k s HIS 81 Cb -0.07 -0.50 0.04 0.00 -0.13 0.00 0.00 32.58 31.92 1x5k s HIS 81 CO -0.00 -0.07 -0.14 -0.65 -2.47 0.00 0.00 174.74 171.41 1x5k s GLN 82 N -2.67 2.43 -0.00 2.88 -0.21 -1.26 -2.14 119.66 118.70 1x5k s GLN 82 Ca 0.02 -1.09 0.03 0.00 0.02 0.00 0.00 55.36 54.35 1x5k s GLN 82 Cb -0.03 -2.70 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 1x5k s GLN 82 CO -0.01 -0.43 -0.08 0.42 -2.12 0.00 0.00 175.29 173.07 1x5k s ILE 83 N 1.22 3.53 0.18 1.08 1.01 -0.94 -4.98 121.20 122.30 1x5k s ILE 83 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1x5k s ILE 83 Cb -0.17 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1x5k s ILE 83 CO -0.08 0.41 0.10 0.00 0.00 0.00 0.00 174.94 175.37 1x5k n GLN 84 N 1.64 0.53 -2.83 2.79 6.02 -1.26 -1.23 117.38 123.04 1x5k n GLN 84 Ca -0.16 -1.62 -0.18 0.00 -0.01 0.00 0.00 57.00 55.03 1x5k n GLN 84 Cb 0.52 1.06 0.03 0.00 1.02 0.00 0.00 30.24 32.87 1x5k n GLN 84 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1x5k n GLU 85 N -0.38 -3.77 -4.40 -1.09 1.02 -1.26 -4.95 120.64 105.81 1x5k n GLU 85 Ca -0.00 0.75 -0.34 0.00 -0.02 0.00 0.00 57.16 57.54 1x5k n GLU 85 Cb 0.29 -5.25 -0.10 0.00 -0.02 0.00 0.00 31.44 26.37 1x5k n GLU 85 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x5k s LEU 86 N -5.45 3.50 1.11 -4.62 1.43 -1.26 -5.11 118.68 108.29 1x5k s LEU 86 Ca 0.22 0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 1x5k s LEU 86 Cb -0.10 -1.83 0.25 0.00 0.03 0.00 0.00 46.19 44.54 1x5k s LEU 86 CO 0.28 0.36 1.05 0.28 0.23 0.00 0.00 176.35 178.55 1x5k s THR 87 N -0.91 2.00 0.44 5.49 -1.32 -1.26 -4.44 115.64 115.65 1x5k s THR 87 Ca 0.14 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.70 1x5k s THR 87 Cb -0.11 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.62 1x5k s THR 87 CO 0.04 -0.00 0.47 -0.76 -2.21 0.00 0.00 174.62 172.15 1x5k s LEU 88 N -6.92 3.37 -0.88 9.08 1.43 -1.26 -4.64 118.68 118.86 1x5k s LEU 88 Ca 0.67 -0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 52.96 1x5k s LEU 88 Cb -0.22 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.92 1x5k s LEU 88 CO 0.62 -0.79 0.18 -0.67 0.23 0.00 0.00 176.35 175.92 1x5k n ASP 89 N -1.71 -0.74 -3.79 2.29 2.03 -1.17 -4.90 116.55 108.55 1x5k n ASP 89 Ca 0.05 -0.81 -0.14 0.00 0.52 0.00 0.00 54.79 54.41 1x5k n ASP 89 Cb 0.61 -0.99 -0.15 0.00 -0.72 0.00 0.00 41.12 39.87 1x5k n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x5k s THR 90 N -3.96 -0.04 -0.29 5.18 2.01 -1.26 -4.94 115.64 112.34 1x5k s THR 90 Ca 0.13 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 1x5k s THR 90 Cb -0.07 -0.10 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 1x5k s THR 90 CO 0.62 0.06 1.66 -2.16 -0.69 0.00 0.00 174.62 174.11 1x5k s PRO 91 N 0.81 3.58 -0.01 4.92 0.04 -1.26 -2.54 135.00 140.54 1x5k s PRO 91 Ca -0.07 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.50 1x5k s PRO 91 Cb -0.09 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 1x5k s PRO 91 CO -0.03 -1.56 -0.20 0.71 0.04 0.00 0.00 177.00 175.97 1x5k s TYR 92 N 5.91 2.52 -0.17 0.56 1.51 -1.05 -4.80 117.35 121.83 1x5k s TYR 92 Ca 0.73 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 56.49 1x5k s TYR 92 Cb -0.22 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1x5k s TYR 92 CO 0.32 0.13 -0.09 0.71 -1.11 0.00 0.00 175.55 175.50 1x5k s TYR 93 N -0.75 2.89 0.08 2.71 1.51 -1.23 -0.24 117.35 122.31 1x5k s TYR 93 Ca 0.12 -0.79 0.05 0.00 -1.01 0.00 0.00 57.07 55.44 1x5k s TYR 93 Cb -0.10 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1x5k s TYR 93 CO 0.01 -0.36 -0.05 -0.06 -1.11 0.00 0.00 175.55 173.98 1x5k s PHE 94 N 0.85 2.88 -0.02 2.71 0.40 -0.24 -3.21 117.98 121.35 1x5k s PHE 94 Ca -0.03 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1x5k s PHE 94 Cb -0.15 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.88 1x5k s PHE 94 CO 0.01 0.44 -0.06 0.15 0.70 0.00 0.00 175.22 176.47 1x5k s LYS 95 N -2.13 0.61 0.19 0.44 1.02 0.11 -0.60 119.74 119.38 1x5k s LYS 95 Ca 0.23 -0.18 0.10 0.00 0.02 0.00 0.00 55.97 56.14 1x5k s LYS 95 Cb -0.11 -0.61 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1x5k s LYS 95 CO 0.15 0.06 -0.15 0.42 -0.92 0.00 0.00 175.35 174.90 1x5k s ILE 96 N 0.23 2.84 -0.22 2.17 1.01 -1.26 -1.07 121.20 124.91 1x5k s ILE 96 Ca -0.03 -1.84 -0.27 0.00 0.00 0.00 0.00 60.65 58.52 1x5k s ILE 96 Cb -0.07 -2.40 0.08 0.00 0.01 0.00 0.00 42.46 40.08 1x5k s ILE 96 CO -0.00 -0.13 0.75 -1.58 0.00 0.00 0.00 174.94 173.98 1x5k s GLN 97 N -2.81 0.85 -0.18 2.79 0.74 -1.06 -2.66 119.66 117.32 1x5k s GLN 97 Ca 0.24 0.76 -0.09 0.00 0.05 0.00 0.00 55.36 56.32 1x5k s GLN 97 Cb -0.08 0.41 -0.05 0.00 1.10 0.00 0.00 33.01 34.39 1x5k s GLN 97 CO 0.13 -0.15 0.10 0.00 -0.55 0.00 0.00 175.29 174.82 1x5k s ALA 98 N -0.04 3.59 -0.00 1.58 0.00 -1.26 -2.55 121.76 123.07 1x5k s ALA 98 Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1x5k s ALA 98 Cb -0.04 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 1x5k s ALA 98 CO 0.02 0.21 -0.12 -0.98 0.00 0.00 0.00 175.76 174.89 1x5k s ARG 99 N 0.23 0.97 0.51 0.00 1.70 -1.07 -2.55 118.95 118.73 1x5k s ARG 99 Ca 0.07 -0.48 0.02 0.00 -0.47 0.00 0.00 55.73 54.87 1x5k s ARG 99 Cb -0.12 -0.94 -0.01 0.00 -0.57 0.00 0.00 34.95 33.31 1x5k s ARG 99 CO -0.01 0.25 0.05 -0.80 -1.08 0.00 0.00 175.30 173.72 1x5k s ASN 100 N -0.41 4.18 0.40 -2.89 -0.87 -0.05 -2.30 114.94 112.99 1x5k s ASN 100 Ca 0.04 -1.58 0.21 0.00 -1.57 0.00 0.00 52.86 49.96 1x5k s ASN 100 Cb -0.05 0.44 1.20 0.00 -0.02 0.00 0.00 41.25 42.82 1x5k s ASN 100 CO -0.00 -0.85 1.70 -1.28 -2.57 0.00 0.00 177.10 174.09 1x5k h SER 101 N 1.31 0.40 0.00 -1.22 0.87 -1.94 -2.47 113.55 110.50 1x5k h SER 101 Ca -0.43 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1x5k h SER 101 Cb 1.31 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1x5k h SER 101 CO 0.73 -0.05 0.00 0.29 -0.53 0.00 0.00 176.83 177.26 1x5k n LYS 102 N -4.75 0.00 0.00 2.24 4.01 -1.26 -5.04 118.16 113.36 1x5k n LYS 102 Ca 0.31 0.37 0.00 0.00 -0.51 0.00 0.00 58.31 58.48 1x5k n LYS 102 Cb 1.08 -1.30 0.00 0.00 -0.51 0.00 0.00 35.03 34.31 1x5k n LYS 102 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x5k n GLY 103 N -0.43 3.45 3.53 0.72 0.00 -0.93 -5.11 105.19 106.42 1x5k n GLY 103 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 1x5k n GLY 103 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x5k s MET 104 N 2.77 1.89 0.00 1.61 -1.94 -1.26 -0.87 119.30 121.50 1x5k s MET 104 Ca 0.00 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.37 1x5k s MET 104 Cb 0.00 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.92 1x5k s MET 104 CO 0.00 0.35 0.00 0.41 -0.01 0.00 0.00 175.02 175.77 1x5k n GLY 105 N -0.62 2.66 3.77 -0.03 0.00 -1.06 -4.86 105.19 105.06 1x5k n GLY 105 Ca -0.06 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 1x5k n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 106 N -0.92 3.41 0.13 1.61 0.04 -1.26 -4.90 135.00 133.12 1x5k s PRO 106 Ca 0.00 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 1x5k s PRO 106 Cb 0.00 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1x5k s PRO 106 CO 0.00 -0.81 0.87 -1.64 0.04 0.00 0.00 177.00 175.46 1x5k s MET 107 N -3.20 4.65 1.05 4.56 -1.94 -1.26 -4.58 119.30 118.58 1x5k s MET 107 Ca 0.72 1.30 -0.15 0.00 -1.71 0.00 0.00 55.69 55.85 1x5k s MET 107 Cb -0.25 -3.33 0.21 0.00 2.01 0.00 0.00 34.83 33.48 1x5k s MET 107 CO 0.28 0.37 1.13 -1.54 -0.01 0.00 0.00 175.02 175.25 1x5k s SER 108 N -0.49 2.28 0.13 3.03 1.04 -1.09 -4.96 113.70 113.63 1x5k s SER 108 Ca 0.41 0.85 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 1x5k s SER 108 Cb -0.23 -1.30 -0.07 0.00 0.10 0.00 0.00 66.02 64.53 1x5k s SER 108 CO 0.28 -3.30 1.17 -1.83 0.98 0.00 0.00 173.24 170.53 1x5k s GLU 109 N -5.28 4.49 0.24 4.02 -1.05 -1.26 -4.80 118.70 115.06 1x5k s GLU 109 Ca 0.68 1.78 -0.28 0.00 -0.15 0.00 0.00 54.97 57.00 1x5k s GLU 109 Cb -0.13 -3.30 -0.16 0.00 -0.44 0.00 0.00 34.13 30.10 1x5k s GLU 109 CO 0.56 -0.12 0.65 0.00 0.95 0.00 0.00 175.26 177.30 1x5k n ALA 110 N 3.11 -2.08 -3.79 -0.84 0.00 -1.26 -4.87 120.51 110.77 1x5k n ALA 110 Ca 0.06 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.56 1x5k n ALA 110 Cb 0.46 -1.73 -0.13 0.00 0.00 0.00 0.00 19.45 18.05 1x5k n ALA 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x5k s VAL 111 N -1.04 3.02 -0.14 0.00 1.01 0.23 -4.91 120.40 118.57 1x5k s VAL 111 Ca 0.62 -1.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.35 1x5k s VAL 111 Cb -0.85 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1x5k s VAL 111 CO 0.57 -0.54 1.20 -1.58 0.00 0.00 0.00 175.10 174.75 1x5k s GLN 112 N 1.12 4.28 -0.09 2.72 0.74 -1.26 -1.08 119.66 126.08 1x5k s GLN 112 Ca 0.06 1.60 -0.03 0.00 0.05 0.00 0.00 55.36 57.04 1x5k s GLN 112 Cb -0.21 -3.68 0.05 0.00 1.10 0.00 0.00 33.01 30.26 1x5k s GLN 112 CO -0.04 -0.60 0.10 0.12 -0.55 0.00 0.00 175.29 174.32 1x5k s PHE 113 N 3.02 0.02 -0.02 1.67 2.19 0.66 -4.98 117.98 120.53 1x5k s PHE 113 Ca 0.53 0.19 -0.30 0.00 0.33 0.00 0.00 56.93 57.68 1x5k s PHE 113 Cb -0.21 -0.48 -0.04 0.00 -1.31 0.00 0.00 43.02 40.98 1x5k s PHE 113 CO 0.15 -0.32 1.19 0.50 1.83 0.00 0.00 175.22 178.58 1x5k s ARG 114 N 2.20 4.38 0.69 10.12 3.52 -1.26 -2.54 118.95 136.06 1x5k s ARG 114 Ca 0.04 1.69 -0.17 0.00 -0.13 0.00 0.00 55.73 57.16 1x5k s ARG 114 Cb -0.13 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.77 1x5k s ARG 114 CO -0.06 -0.39 1.27 0.25 -0.81 0.00 0.00 175.30 175.57 1x5k n THR 115 N 4.41 4.20 -0.19 4.11 -2.24 -1.05 -4.93 114.28 118.60 1x5k n THR 115 Ca 0.10 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1x5k n THR 115 Cb 0.46 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 1x5k n THR 115 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x5k n PRO 116 N -2.27 0.23 -4.11 -0.78 -0.04 -1.26 -3.63 135.00 123.13 1x5k n PRO 116 Ca 0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1x5k n PRO 116 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 1x5k n PRO 116 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x5k s LYS 117 N -1.15 0.68 -0.23 0.54 -0.14 -1.26 -3.06 119.74 115.12 1x5k s LYS 117 Ca 0.00 -1.07 -0.06 0.00 -1.36 0.00 0.00 55.97 53.48 1x5k s LYS 117 Cb 0.00 -0.20 -0.21 0.00 -1.68 0.00 0.00 37.83 35.74 1x5k s LYS 117 CO 0.00 0.00 3.11 0.00 -0.76 0.00 0.00 175.35 177.70 1x5k n ALA 118 N 0.63 5.79 -3.69 5.17 0.00 -1.26 -4.73 120.51 122.42 1x5k n ALA 118 Ca -0.17 -1.81 -0.25 0.00 0.00 0.00 0.00 53.44 51.22 1x5k n ALA 118 Cb 0.58 -2.46 -0.17 0.00 0.00 0.00 0.00 19.45 17.39 1x5k n ALA 118 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x5k s SER 119 N 2.21 2.09 -0.43 0.00 0.01 -1.26 -5.05 113.70 111.27 1x5k s SER 119 Ca 0.58 -0.41 0.09 0.00 1.31 0.00 0.00 55.95 57.52 1x5k s SER 119 Cb 0.26 -0.36 0.30 0.00 0.21 0.00 0.00 66.02 66.42 1x5k s SER 119 CO -0.01 -0.28 0.68 0.61 0.41 0.00 0.00 173.24 174.65 1x5k n GLY 120 N 5.19 3.68 3.59 3.44 0.00 -1.26 -5.12 105.19 114.71 1x5k n GLY 120 Ca -0.07 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 1x5k n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 121 N -2.10 -1.22 0.25 1.61 0.04 -1.26 -4.92 135.00 127.41 1x5k s PRO 121 Ca 0.39 -0.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.08 1x5k s PRO 121 Cb 0.26 -1.60 -0.15 0.00 0.04 0.00 0.00 34.50 33.05 1x5k s PRO 121 CO -0.09 -3.71 0.86 0.43 0.04 0.00 0.00 177.00 174.53 1x5k n SER 122 N -4.76 0.48 -0.07 6.66 7.64 -1.26 -4.94 113.62 117.37 1x5k n SER 122 Ca 0.13 1.16 -0.06 0.00 1.01 0.00 0.00 58.87 61.11 1x5k n SER 122 Cb 0.59 -1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 62.60 1x5k n SER 122 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5k n SER 123 N 1.50 1.66 -0.15 6.43 2.88 -1.26 -5.31 113.62 119.37 1x5k n SER 123 Ca 0.13 0.44 0.02 0.00 -1.33 0.00 0.00 58.87 58.12 1x5k n SER 123 Cb 0.29 -0.77 0.02 0.00 -0.75 0.00 0.00 64.21 63.00 1x5k n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42