#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k s SER 2 N 0.00 5.05 -0.23 1.61 1.04 -1.26 -5.00 113.70 114.92 1x5k s SER 2 Ca 0.00 -0.52 -0.40 0.00 0.48 0.00 0.00 55.95 55.51 1x5k s SER 2 Cb 0.00 -0.14 -0.16 0.00 0.10 0.00 0.00 66.02 65.82 1x5k s SER 2 CO 0.00 -1.32 1.70 -1.54 0.98 0.00 0.00 173.24 173.06 1x5k n SER 3 N -2.32 2.33 0.00 7.02 3.41 -1.26 -4.82 113.62 117.97 1x5k n SER 3 Ca 0.13 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 1x5k n SER 3 Cb 0.61 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1x5k n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5k n GLY 4 N 4.01 3.42 3.56 5.00 0.00 -1.26 -5.12 105.19 114.80 1x5k n GLY 4 Ca 0.25 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1x5k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5k s SER 5 N 0.00 5.85 -0.21 1.61 0.15 -1.26 -5.07 113.70 114.76 1x5k s SER 5 Ca 0.00 -0.05 -0.06 0.00 0.70 0.00 0.00 55.95 56.53 1x5k s SER 5 Cb 0.00 -2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 1x5k s SER 5 CO 0.00 -0.05 0.03 -0.55 1.20 0.00 0.00 173.24 173.87 1x5k s SER 6 N 1.73 5.06 0.00 5.45 0.15 -1.26 -5.04 113.70 119.79 1x5k s SER 6 Ca 0.07 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1x5k s SER 6 Cb -0.16 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1x5k s SER 6 CO 0.10 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1x5k n GLY 7 N 4.32 2.01 3.76 9.45 0.00 -1.26 -5.15 105.19 118.32 1x5k n GLY 7 Ca -0.17 0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1x5k n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5k s THR 8 N 0.00 3.89 0.04 2.61 2.01 -1.26 -5.04 115.64 117.89 1x5k s THR 8 Ca 0.00 1.80 -0.17 0.00 0.31 0.00 0.00 61.69 63.63 1x5k s THR 8 Cb 0.00 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 1x5k s THR 8 CO 0.00 0.36 0.49 0.00 -0.69 0.00 0.00 174.62 174.78 1x5k s ALA 9 N -1.28 3.64 0.01 7.40 0.00 -1.26 -4.99 121.76 125.28 1x5k s ALA 9 Ca 0.45 -0.09 -0.35 0.00 0.00 0.00 0.00 51.96 51.97 1x5k s ALA 9 Cb -0.26 -2.51 -0.18 0.00 0.00 0.00 0.00 23.12 20.16 1x5k s ALA 9 CO 0.33 0.44 0.93 0.72 0.00 0.00 0.00 175.76 178.18 1x5k n HIS 10 N 1.74 0.50 0.00 0.00 8.25 -1.26 -4.90 115.22 119.55 1x5k n HIS 10 Ca -0.12 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1x5k n HIS 10 Cb 0.51 -1.88 0.00 0.00 1.12 0.00 0.00 29.99 29.75 1x5k n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x5k n GLY 11 N 1.39 0.23 3.55 -1.41 0.00 -1.26 -5.05 105.19 102.64 1x5k n GLY 11 Ca 0.18 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 46.54 1x5k n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5k s THR 12 N 0.00 3.27 -1.65 2.61 -4.23 -1.26 -3.71 115.64 110.66 1x5k s THR 12 Ca 0.00 -0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 1x5k s THR 12 Cb 0.00 -3.64 0.07 0.00 1.34 0.00 0.00 72.50 70.27 1x5k s THR 12 CO 0.00 -0.62 0.20 0.35 -0.54 0.00 0.00 174.62 174.01 1x5k n THR 13 N 7.83 -0.75 -4.05 3.99 -2.24 -1.26 -4.92 114.28 112.89 1x5k n THR 13 Ca 0.34 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1x5k n THR 13 Cb 0.49 -0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 1x5k n THR 13 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x5k s PHE 14 N -4.02 3.24 -0.10 4.78 5.36 -1.24 -5.12 117.98 120.87 1x5k s PHE 14 Ca 0.26 -0.01 -0.32 0.00 -0.96 0.00 0.00 56.93 55.90 1x5k s PHE 14 Cb -0.15 -1.52 0.12 0.00 -0.34 0.00 0.00 43.02 41.13 1x5k s PHE 14 CO 1.01 0.51 1.05 -2.00 -1.46 0.00 0.00 175.22 174.33 1x5k s GLU 15 N -3.39 0.55 -0.24 10.12 2.56 -1.26 -5.04 118.70 121.99 1x5k s GLU 15 Ca 0.32 -0.19 0.02 0.00 0.00 0.00 0.00 54.97 55.13 1x5k s GLU 15 Cb -0.10 0.26 0.05 0.00 2.00 0.00 0.00 34.13 36.34 1x5k s GLU 15 CO 0.25 -0.24 -0.13 -0.51 -0.56 0.00 0.00 175.26 174.08 1x5k s LEU 16 N -2.28 3.16 0.72 2.70 1.02 -1.26 -5.01 118.68 117.73 1x5k s LEU 16 Ca 0.07 -1.23 -0.17 0.00 0.02 0.00 0.00 54.13 52.83 1x5k s LEU 16 Cb -0.01 -1.54 -0.09 0.00 0.02 0.00 0.00 46.19 44.57 1x5k s LEU 16 CO -0.07 -0.15 0.08 1.33 0.02 0.00 0.00 176.35 177.57 1x5k n VAL 17 N 4.48 0.88 -2.07 -1.59 0.24 -1.26 -3.59 118.33 115.41 1x5k n VAL 17 Ca -0.16 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.34 61.29 1x5k n VAL 17 Cb 0.44 -0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.13 3.14 -0.07 7.34 0.04 -1.26 -4.74 135.00 137.32 1x5k s PRO 18 Ca 0.58 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.72 1x5k s PRO 18 Cb -0.36 -4.23 0.20 0.00 0.04 0.00 0.00 34.50 30.15 1x5k s PRO 18 CO 0.65 -2.10 0.92 0.25 0.04 0.00 0.00 177.00 176.77 1x5k n THR 19 N 7.29 0.92 -4.19 1.26 -2.24 -1.26 -3.56 114.28 112.51 1x5k n THR 19 Ca 0.21 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 1x5k n THR 19 Cb 0.49 -0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 68.02 1x5k n THR 19 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x5k s SER 20 N -0.05 0.69 0.97 3.42 0.01 -1.26 -4.80 113.70 112.68 1x5k s SER 20 Ca 0.14 -0.11 -0.12 0.00 1.31 0.00 0.00 55.95 57.18 1x5k s SER 20 Cb 0.11 -0.10 0.17 0.00 0.21 0.00 0.00 66.02 66.42 1x5k s SER 20 CO 0.04 0.06 1.09 -2.16 0.41 0.00 0.00 173.24 172.68 1x5k s PRO 21 N -0.07 0.67 1.21 12.44 0.04 -1.26 -4.59 135.00 143.44 1x5k s PRO 21 Ca 0.01 0.62 -0.19 0.00 0.04 0.00 0.00 61.00 61.48 1x5k s PRO 21 Cb -0.03 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 33.04 1x5k s PRO 21 CO -0.00 -2.59 1.11 -1.25 0.04 0.00 0.00 177.00 174.31 1x5k s PRO 22 N -4.95 -1.29 0.22 0.56 0.04 -1.26 -4.46 135.00 123.85 1x5k s PRO 22 Ca 0.65 -0.09 0.04 0.00 0.04 0.00 0.00 61.00 61.64 1x5k s PRO 22 Cb -0.18 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1x5k s PRO 22 CO 0.57 -3.75 0.15 1.63 0.04 0.00 0.00 177.00 175.64 1x5k n LYS 23 N -4.78 0.38 -3.17 4.56 5.02 -0.71 -4.86 118.16 114.61 1x5k n LYS 23 Ca 0.13 -2.07 -0.18 0.00 -2.02 0.00 0.00 58.31 54.18 1x5k n LYS 23 Cb 0.60 1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 37.12 1x5k n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x5k n ASP 24 N -2.06 -2.63 -4.63 4.39 8.00 -1.26 -0.37 116.55 117.98 1x5k n ASP 24 Ca 0.02 -0.19 -0.43 0.00 0.71 0.00 0.00 54.79 54.91 1x5k n ASP 24 Cb 0.37 -2.26 -0.03 0.00 -0.02 0.00 0.00 41.12 39.19 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5k s VAL 25 N -2.66 3.54 0.01 2.53 1.01 -1.26 -3.43 120.40 120.13 1x5k s VAL 25 Ca 0.30 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1x5k s VAL 25 Cb -0.16 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1x5k s VAL 25 CO 0.37 -0.24 -0.00 0.42 0.00 0.00 0.00 175.10 175.64 1x5k s THR 26 N 5.60 0.06 -0.13 3.92 -4.23 -0.24 -5.01 115.64 115.61 1x5k s THR 26 Ca 0.77 -0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 60.78 1x5k s THR 26 Cb -0.27 -0.17 0.03 0.00 1.34 0.00 0.00 72.50 73.43 1x5k s THR 26 CO 0.31 -0.27 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.37 1x5k s VAL 27 N -0.81 1.04 0.33 2.29 1.01 -1.26 -1.52 120.40 121.48 1x5k s VAL 27 Ca -0.09 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1x5k s VAL 27 Cb -0.06 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.14 1x5k s VAL 27 CO -0.00 0.28 -0.04 0.68 0.00 0.00 0.00 175.10 176.01 1x5k s VAL 28 N 1.69 1.86 -0.12 2.92 -7.23 0.14 -4.99 120.40 114.67 1x5k s VAL 28 Ca 0.03 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 1x5k s VAL 28 Cb -0.14 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1x5k s VAL 28 CO -0.08 -0.16 -0.18 -0.94 -0.31 0.00 0.00 175.10 173.43 1x5k s SER 29 N -3.56 3.62 0.65 4.85 1.04 -1.26 -0.27 113.70 118.76 1x5k s SER 29 Ca 0.33 -0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.15 1x5k s SER 29 Cb 0.05 -1.53 -0.08 0.00 0.10 0.00 0.00 66.02 64.56 1x5k s SER 29 CO 0.15 0.16 0.31 1.17 0.98 0.00 0.00 173.24 176.01 1x5k n LYS 30 N 3.55 0.29 0.05 4.02 3.00 -0.81 -4.91 118.16 123.36 1x5k n LYS 30 Ca -0.19 0.12 0.01 0.00 -0.00 0.00 0.00 58.31 58.26 1x5k n LYS 30 Cb 0.53 -1.57 -0.06 0.00 0.00 0.00 0.00 35.03 33.93 1x5k n LYS 30 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1x5k h GLU 31 N -0.14 0.00 -0.09 1.64 4.22 -1.99 -3.34 114.58 114.88 1x5k h GLU 31 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1x5k h GLU 31 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1x5k h GLU 31 CO 0.42 0.30 0.00 0.41 -2.18 0.00 0.00 179.01 177.97 1x5k n GLY 32 N 1.36 0.97 3.29 1.92 0.00 -1.26 -4.84 105.19 106.63 1x5k n GLY 32 Ca -0.08 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.30 1x5k n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5k s LYS 33 N -1.91 0.55 0.37 1.61 2.47 -1.25 -5.03 119.74 116.55 1x5k s LYS 33 Ca 0.31 1.12 0.16 0.00 -1.56 0.00 0.00 55.97 56.00 1x5k s LYS 33 Cb 0.21 0.59 0.71 0.00 -1.46 0.00 0.00 37.83 37.87 1x5k s LYS 33 CO 0.31 -0.48 1.78 -1.00 0.16 0.00 0.00 175.35 176.11 1x5k h PRO 34 N 8.02 0.00 0.00 4.03 0.13 -1.89 -2.76 132.00 139.53 1x5k h PRO 34 Ca -0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 1x5k h PRO 34 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1x5k h PRO 34 CO 0.21 0.40 -0.14 0.87 -0.23 0.00 0.00 178.00 179.11 1x5k h LYS 35 N 0.00 0.00 -6.29 0.86 1.57 -1.93 -3.40 116.57 107.38 1x5k h LYS 35 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 1x5k h LYS 35 Cb 0.80 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 1x5k h LYS 35 CO 0.05 0.14 -0.14 0.99 -0.57 0.00 0.00 179.45 179.92 1x5k s THR 36 N -3.33 4.94 0.01 -0.16 2.01 -1.04 -2.98 115.64 115.09 1x5k s THR 36 Ca 0.04 0.62 -0.09 0.00 0.31 0.00 0.00 61.69 62.57 1x5k s THR 36 Cb 0.07 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1x5k s THR 36 CO 0.65 0.17 0.18 0.27 -0.69 0.00 0.00 174.62 175.21 1x5k s ILE 37 N -1.54 0.08 -0.04 1.82 -4.36 -0.18 -1.92 121.20 115.07 1x5k s ILE 37 Ca 0.39 -0.69 0.06 0.00 -0.26 0.00 0.00 60.65 60.15 1x5k s ILE 37 Cb -0.14 -0.57 -0.02 0.00 1.25 0.00 0.00 42.46 42.99 1x5k s ILE 37 CO 0.20 -0.38 -0.21 -0.63 0.24 0.00 0.00 174.94 174.15 1x5k s ILE 38 N -1.61 2.43 -0.23 8.37 1.09 0.63 -1.78 121.20 130.10 1x5k s ILE 38 Ca -0.13 -0.96 0.02 0.00 -1.10 0.00 0.00 60.65 58.48 1x5k s ILE 38 Cb -0.06 -1.90 0.05 0.00 -1.06 0.00 0.00 42.46 39.50 1x5k s ILE 38 CO 0.01 0.58 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.65 1x5k s VAL 39 N -0.55 1.81 0.12 2.92 1.01 -0.87 -0.69 120.40 124.15 1x5k s VAL 39 Ca 0.08 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.78 1x5k s VAL 39 Cb -0.11 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1x5k s VAL 39 CO 0.00 0.02 0.18 0.20 0.00 0.00 0.00 175.10 175.50 1x5k s ASN 40 N 1.29 5.89 0.15 3.32 0.01 -0.57 -2.53 114.94 122.49 1x5k s ASN 40 Ca -0.05 0.05 -0.11 0.00 -0.71 0.00 0.00 52.86 52.04 1x5k s ASN 40 Cb -0.18 -1.67 0.04 0.00 0.41 0.00 0.00 41.25 39.85 1x5k s ASN 40 CO -0.07 0.11 0.54 -2.67 -1.51 0.00 0.00 177.10 173.50 1x5k n TRP 41 N -0.11 -1.30 -4.09 2.20 2.14 -1.02 -1.08 117.44 114.19 1x5k n TRP 41 Ca -0.07 -0.85 -0.07 0.00 2.07 0.00 0.00 57.50 58.58 1x5k n TRP 41 Cb 0.53 0.42 -0.10 0.00 -0.81 0.00 0.00 31.31 31.35 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 -2.04 0.61 0.77 -2.67 -1.52 0.50 -4.82 119.66 110.49 1x5k s GLN 42 Ca 0.12 -1.22 -0.11 0.00 -1.95 0.00 0.00 55.36 52.20 1x5k s GLN 42 Cb -0.02 0.21 0.05 0.00 -0.22 0.00 0.00 33.01 33.03 1x5k s GLN 42 CO 0.04 -0.11 1.09 -1.25 -0.25 0.00 0.00 175.29 174.82 1x5k s PRO 43 N -3.91 2.29 0.53 2.91 0.04 -1.26 -1.73 135.00 133.86 1x5k s PRO 43 Ca 0.07 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.09 1x5k s PRO 43 Cb 0.08 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 1x5k s PRO 43 CO -0.10 -1.62 1.14 -1.25 0.04 0.00 0.00 177.00 175.21 1x5k s PRO 44 N -4.86 3.43 0.08 0.56 0.04 -1.26 -4.53 135.00 128.45 1x5k s PRO 44 Ca 0.61 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 63.11 1x5k s PRO 44 Cb -0.17 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 1x5k s PRO 44 CO 0.55 -0.80 1.48 1.03 0.04 0.00 0.00 177.00 179.31 1x5k h SER 45 N 1.35 0.45 0.47 6.66 0.87 -1.92 -3.30 113.55 118.13 1x5k h SER 45 Ca -0.50 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 59.69 1x5k h SER 45 Cb 1.26 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1x5k h SER 45 CO 0.57 0.69 -0.31 -0.33 -0.53 0.00 0.00 176.83 176.93 1x5k h GLU 46 N 0.19 -0.71 -6.87 2.24 4.39 -1.95 -3.45 114.58 108.42 1x5k h GLU 46 Ca 0.06 0.05 -0.55 0.00 0.34 0.00 0.00 59.36 59.26 1x5k h GLU 46 Cb 0.49 0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 29.13 1x5k h GLU 46 CO 0.02 -0.47 -0.86 0.00 -1.16 0.00 0.00 179.01 176.54 1x5k n ALA 47 N -2.51 -1.95 -0.17 3.43 0.00 -1.25 -4.66 120.51 113.40 1x5k n ALA 47 Ca -0.09 -0.39 0.27 0.00 0.00 0.00 0.00 53.44 53.23 1x5k n ALA 47 Cb 0.31 -0.87 0.46 0.00 0.00 0.00 0.00 19.45 19.35 1x5k n ALA 47 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1x5k h ASN 48 N -1.53 0.00 -0.35 0.00 2.35 -1.85 -3.40 115.58 110.79 1x5k h ASN 48 Ca -0.59 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 1x5k h ASN 48 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1x5k h ASN 48 CO 0.61 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.00 1x5k n GLY 49 N -1.69 6.09 3.38 2.83 0.00 -1.24 -4.63 105.19 109.94 1x5k n GLY 49 Ca 0.21 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 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 1.56 3.47 0.47 1.61 2.20 -1.26 -5.07 119.74 122.71 1x5k s LYS 50 Ca 0.00 -0.61 -0.23 0.00 -0.36 0.00 0.00 55.97 54.77 1x5k s LYS 50 Cb 0.00 -2.87 -0.07 0.00 -1.51 0.00 0.00 37.83 33.38 1x5k s LYS 50 CO 0.00 0.06 1.17 0.42 -0.36 0.00 0.00 175.35 176.64 1x5k s ILE 51 N 0.80 3.07 0.00 5.43 -1.09 -1.26 -3.88 121.20 124.27 1x5k s ILE 51 Ca -0.02 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 1x5k s ILE 51 Cb -0.15 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1x5k s ILE 51 CO 0.01 -0.02 0.00 0.35 -1.23 0.00 0.00 174.94 174.05 1x5k n THR 52 N -0.56 0.00 -3.83 2.92 -2.24 -1.02 -4.90 114.28 104.65 1x5k n THR 52 Ca 0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1x5k n THR 52 Cb 0.48 -0.60 0.01 0.00 -2.10 0.00 0.00 70.33 68.12 1x5k n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5k s GLY 53 N -3.11 0.13 0.10 3.38 0.00 -0.99 -4.54 107.32 102.30 1x5k s GLY 53 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 44.72 44.31 1x5k s GLY 53 CO 0.00 0.54 -0.08 -0.19 0.00 0.00 0.00 173.10 173.37 1x5k s TYR 54 N -2.67 0.95 -0.04 1.90 1.51 -1.24 -1.90 117.35 115.85 1x5k s TYR 54 Ca 0.16 -0.81 0.01 0.00 -1.01 0.00 0.00 57.07 55.41 1x5k s TYR 54 Cb -0.04 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.30 1x5k s TYR 54 CO 0.08 -0.09 -0.03 0.42 -1.11 0.00 0.00 175.55 174.82 1x5k s ILE 55 N -3.18 0.44 -0.04 2.71 1.01 -0.28 -0.30 121.20 121.56 1x5k s ILE 55 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1x5k s ILE 55 Cb 0.02 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1x5k s ILE 55 CO -0.03 0.21 -0.02 -0.63 0.00 0.00 0.00 174.94 174.47 1x5k s ILE 56 N 0.99 4.06 -0.09 2.92 1.01 -0.36 -1.29 121.20 128.44 1x5k s ILE 56 Ca -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1x5k s ILE 56 Cb -0.14 -2.75 0.02 0.00 0.01 0.00 0.00 42.46 39.60 1x5k s ILE 56 CO -0.01 0.48 -0.12 -0.31 0.00 0.00 0.00 174.94 174.99 1x5k s TYR 57 N -0.97 1.67 0.04 3.97 1.51 0.50 -0.52 117.35 123.55 1x5k s TYR 57 Ca 0.16 -0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 55.47 1x5k s TYR 57 Cb -0.11 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1x5k s TYR 57 CO 0.06 -0.42 -0.02 1.52 -1.11 0.00 0.00 175.55 175.58 1x5k s TYR 58 N 1.06 0.41 0.07 2.71 -0.85 -1.24 0.20 117.35 119.71 1x5k s TYR 58 Ca -0.06 -0.85 -0.27 0.00 -0.52 0.00 0.00 57.07 55.37 1x5k s TYR 58 Cb -0.15 -0.31 0.09 0.00 0.38 0.00 0.00 41.96 41.98 1x5k s TYR 58 CO -0.02 -0.31 1.16 0.45 -1.52 0.00 0.00 175.55 175.32 1x5k s SER 59 N -2.35 -0.06 -0.20 -0.18 0.15 -1.17 -2.38 113.70 107.52 1x5k s SER 59 Ca -0.02 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.31 1x5k s SER 59 Cb 0.01 0.30 0.25 0.00 -1.71 0.00 0.00 66.02 64.87 1x5k s SER 59 CO -0.06 -0.58 1.51 0.35 1.20 0.00 0.00 173.24 175.66 1x5k n THR 60 N -0.62 2.05 -3.49 6.45 -2.24 -1.26 -3.06 114.28 112.12 1x5k n THR 60 Ca -0.04 -0.92 -0.15 0.00 -2.27 0.00 0.00 64.05 60.67 1x5k n THR 60 Cb 0.61 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 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 0.18 -0.59 -0.06 3.42 1.01 -1.26 -5.03 116.67 114.35 1x5k s ASP 61 Ca 0.23 0.39 0.12 0.00 0.71 0.00 0.00 52.55 54.00 1x5k s ASP 61 Cb 0.19 0.53 -0.19 0.00 1.01 0.00 0.00 42.92 44.47 1x5k s ASP 61 CO 0.03 -0.72 0.19 0.55 0.21 0.00 0.00 175.17 175.43 1x5k n VAL 62 N 0.35 0.33 0.26 -1.27 3.14 -1.26 -4.51 118.33 115.37 1x5k n VAL 62 Ca -0.17 -0.39 0.11 0.00 -2.96 0.00 0.00 64.34 60.93 1x5k n VAL 62 Cb 0.60 -0.14 -0.10 0.00 -1.06 0.00 0.00 33.84 33.14 1x5k n VAL 62 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1x5k n ASN 63 N -2.16 0.39 -4.47 6.55 0.23 -1.26 -4.98 115.26 109.55 1x5k n ASN 63 Ca -0.09 -0.12 -0.40 0.00 -0.53 0.00 0.00 54.58 53.43 1x5k n ASN 63 Cb 0.57 1.39 0.02 0.00 -2.08 0.00 0.00 39.78 39.67 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x5k n ALA 64 N -2.06 -1.17 -1.95 -2.53 0.00 -1.26 -4.86 120.51 106.68 1x5k n ALA 64 Ca -0.01 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1x5k n ALA 64 Cb 0.51 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 1x5k n ALA 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x5k s GLU 65 N -1.84 4.31 0.57 0.00 8.01 -1.26 -4.83 118.70 123.67 1x5k s GLU 65 Ca 0.65 2.20 0.30 0.00 0.01 0.00 0.00 54.97 58.13 1x5k s GLU 65 Cb -0.53 -3.16 1.02 0.00 -4.31 0.00 0.00 34.13 27.16 1x5k s GLU 65 CO 0.56 -0.37 1.29 1.51 0.01 0.00 0.00 175.26 178.26 1x5k n ILE 66 N 2.70 0.00 0.05 -1.63 0.13 -1.26 0.27 119.36 119.62 1x5k n ILE 66 Ca 0.07 1.25 -0.11 0.00 -1.10 0.00 0.00 62.75 62.86 1x5k n ILE 66 Cb 0.41 -2.21 -0.04 0.00 -0.84 0.00 0.00 39.64 36.96 1x5k n ILE 66 CO 0.00 0.00 0.00 0.45 2.80 0.00 0.00 176.55 179.80 1x5k h HIS 67 N 0.00 -0.53 -0.65 9.51 3.86 -2.01 -2.13 115.15 123.20 1x5k h HIS 67 Ca 0.55 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.75 1x5k h HIS 67 Cb 2.98 0.23 -0.03 0.00 1.06 0.00 0.00 27.41 31.65 1x5k h HIS 67 CO 0.00 -0.28 0.29 0.38 0.86 0.00 0.00 177.93 179.18 1x5k h ASP 68 N -0.32 0.84 -1.92 2.45 3.04 -0.54 -3.43 116.42 116.55 1x5k h ASP 68 Ca 0.06 -0.10 -0.65 0.00 -3.24 0.00 0.00 57.03 53.11 1x5k h ASP 68 Cb 0.40 -0.22 0.02 0.00 -1.04 0.00 0.00 39.33 38.49 1x5k h ASP 68 CO -0.19 0.73 1.00 0.79 -2.04 0.00 0.00 179.24 179.53 1x5k n TRP 69 N -4.33 2.22 -1.72 4.15 7.02 -0.80 -4.92 117.44 119.07 1x5k n TRP 69 Ca 0.06 0.18 -0.34 0.00 -1.02 0.00 0.00 57.50 56.38 1x5k n TRP 69 Cb 0.14 -2.59 0.06 0.00 -2.42 0.00 0.00 31.31 26.50 1x5k n TRP 69 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1x5k s VAL 70 N 3.50 2.76 -0.32 -0.99 0.11 -1.00 -4.85 120.40 119.61 1x5k s VAL 70 Ca 0.92 0.39 -0.08 0.00 -2.93 0.00 0.00 61.98 60.28 1x5k s VAL 70 Cb -0.80 -2.98 0.01 0.00 -1.53 0.00 0.00 36.38 31.09 1x5k s VAL 70 CO 0.54 -0.18 0.12 -0.63 -3.33 0.00 0.00 175.10 171.62 1x5k s ILE 71 N -2.02 4.25 -0.67 7.04 1.01 -1.26 -3.62 121.20 125.92 1x5k s ILE 71 Ca 0.72 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1x5k s ILE 71 Cb -0.26 -3.23 0.17 0.00 0.01 0.00 0.00 42.46 39.15 1x5k s ILE 71 CO 0.40 0.01 0.47 -1.61 0.00 0.00 0.00 174.94 174.21 1x5k s GLU 72 N 1.54 2.55 0.36 2.79 0.41 0.32 -4.97 118.70 121.70 1x5k s GLU 72 Ca 0.03 -2.85 -0.27 0.00 -0.41 0.00 0.00 54.97 51.47 1x5k s GLU 72 Cb -0.18 -3.62 -0.09 0.00 -1.78 0.00 0.00 34.13 28.46 1x5k s GLU 72 CO 0.04 -1.20 1.21 -1.25 -0.49 0.00 0.00 175.26 173.57 1x5k s PRO 73 N -0.63 4.21 -0.39 0.39 0.04 -1.26 -1.22 135.00 136.14 1x5k s PRO 73 Ca 0.20 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 63.13 1x5k s PRO 73 Cb -0.16 -2.86 0.07 0.00 0.04 0.00 0.00 34.50 31.58 1x5k s PRO 73 CO -0.07 -0.22 0.20 0.08 0.04 0.00 0.00 177.00 177.03 1x5k s VAL 74 N -1.29 4.01 0.93 -0.36 1.01 0.59 -4.95 120.40 120.34 1x5k s VAL 74 Ca 0.53 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1x5k s VAL 74 Cb -0.34 -3.41 0.15 0.00 0.00 0.00 0.00 36.38 32.79 1x5k s VAL 74 CO 0.44 -0.40 1.12 0.68 0.00 0.00 0.00 175.10 176.93 1x5k s VAL 75 N 1.40 2.26 0.23 2.92 -7.23 -1.26 -3.70 120.40 115.02 1x5k s VAL 75 Ca 0.02 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1x5k s VAL 75 Cb -0.22 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1x5k s VAL 75 CO 0.02 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 1x5k n GLY 76 N 0.04 -1.30 2.24 2.32 0.00 -1.26 -3.66 105.19 103.58 1x5k n GLY 76 Ca 0.10 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1x5k n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5k n ASN 77 N -4.35 7.76 -4.82 1.61 0.23 -1.26 -4.72 115.26 109.71 1x5k n ASN 77 Ca 0.00 -2.60 -0.36 0.00 -0.53 0.00 0.00 54.58 51.09 1x5k n ASN 77 Cb 0.61 -1.50 -0.07 0.00 -2.08 0.00 0.00 39.78 36.74 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1x5k s ARG 78 N 1.56 3.30 0.00 -3.83 3.52 -1.24 -4.99 118.95 117.26 1x5k s ARG 78 Ca 0.68 -0.22 0.10 0.00 -0.13 0.00 0.00 55.73 56.16 1x5k s ARG 78 Cb 0.22 -3.06 0.30 0.00 -1.56 0.00 0.00 34.95 30.85 1x5k s ARG 78 CO -0.05 0.75 1.25 1.28 -0.81 0.00 0.00 175.30 177.72 1x5k n LEU 79 N 2.04 2.91 -4.08 -0.88 4.77 -1.26 -4.75 117.00 115.74 1x5k n LEU 79 Ca -0.20 -2.00 -0.22 0.00 -0.03 0.00 0.00 56.01 53.57 1x5k n LEU 79 Cb 0.55 -0.23 -0.15 0.00 -2.33 0.00 0.00 43.42 41.26 1x5k n LEU 79 CO 0.30 0.73 -0.47 0.28 -1.33 0.00 0.00 177.39 176.90 1x5k s THR 80 N -1.00 1.05 0.07 -5.08 -1.32 -1.26 -2.42 115.64 105.68 1x5k s THR 80 Ca 0.23 -0.55 0.06 0.00 -1.21 0.00 0.00 61.69 60.22 1x5k s THR 80 Cb 0.12 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 70.19 1x5k s THR 80 CO 0.15 0.30 -0.17 -2.28 -2.21 0.00 0.00 174.62 170.42 1x5k s HIS 81 N -0.19 1.44 -0.41 9.09 2.46 -1.05 -4.98 115.29 121.64 1x5k s HIS 81 Ca 0.03 -0.42 0.03 0.00 0.47 0.00 0.00 55.06 55.17 1x5k s HIS 81 Cb -0.06 -0.81 0.11 0.00 -0.13 0.00 0.00 32.58 31.69 1x5k s HIS 81 CO -0.00 0.10 0.14 -0.65 -2.47 0.00 0.00 174.74 171.86 1x5k s GLN 82 N -1.62 1.70 0.01 2.88 -0.21 -1.26 -2.05 119.66 119.10 1x5k s GLN 82 Ca 0.02 -2.14 -0.16 0.00 0.02 0.00 0.00 55.36 53.11 1x5k s GLN 82 Cb -0.09 -3.28 -0.06 0.00 1.00 0.00 0.00 33.01 30.58 1x5k s GLN 82 CO 0.03 -1.01 0.44 0.42 -2.12 0.00 0.00 175.29 173.05 1x5k s ILE 83 N 0.50 4.98 0.45 1.08 1.01 -0.74 -4.94 121.20 123.54 1x5k s ILE 83 Ca 0.13 0.92 0.03 0.00 0.00 0.00 0.00 60.65 61.73 1x5k s ILE 83 Cb -0.21 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1x5k s ILE 83 CO -0.05 0.57 0.13 0.00 0.00 0.00 0.00 174.94 175.58 1x5k n GLN 84 N 1.86 0.59 -3.46 2.79 6.02 -1.26 -1.01 117.38 122.91 1x5k n GLN 84 Ca -0.13 -3.65 -0.18 0.00 -0.01 0.00 0.00 57.00 53.03 1x5k n GLN 84 Cb 0.52 1.80 0.08 0.00 1.02 0.00 0.00 30.24 33.66 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 -1.02 -5.57 -4.31 -1.09 1.02 -1.25 -4.95 120.64 103.47 1x5k n GLU 85 Ca -0.09 0.80 -0.31 0.00 -0.02 0.00 0.00 57.16 57.54 1x5k n GLU 85 Cb 0.65 -5.69 -0.09 0.00 -0.02 0.00 0.00 31.44 26.28 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 -6.29 3.32 0.11 -4.62 1.43 -1.16 -5.09 118.68 106.39 1x5k s LEU 86 Ca 0.07 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 1x5k s LEU 86 Cb -0.01 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.17 1x5k s LEU 86 CO 0.75 0.24 1.22 -0.89 0.23 0.00 0.00 176.35 177.91 1x5k s THR 87 N -1.12 3.77 0.92 5.49 2.01 -1.26 -4.69 115.64 120.76 1x5k s THR 87 Ca 0.20 1.34 -0.13 0.00 0.31 0.00 0.00 61.69 63.41 1x5k s THR 87 Cb -0.11 -3.86 0.19 0.00 0.01 0.00 0.00 72.50 68.72 1x5k s THR 87 CO 0.12 0.14 1.27 -0.76 -0.69 0.00 0.00 174.62 174.70 1x5k s LEU 88 N 0.61 2.75 -1.39 4.42 1.43 -1.26 -4.19 118.68 121.05 1x5k s LEU 88 Ca 0.57 0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.76 1x5k s LEU 88 Cb -0.32 -2.28 0.09 0.00 0.03 0.00 0.00 46.19 43.71 1x5k s LEU 88 CO 0.32 -2.58 0.23 -0.67 0.23 0.00 0.00 176.35 173.88 1x5k n ASP 89 N -3.61 -0.28 -3.75 2.29 2.03 -1.21 -4.88 116.55 107.14 1x5k n ASP 89 Ca 0.15 -1.03 -0.12 0.00 0.52 0.00 0.00 54.79 54.31 1x5k n ASP 89 Cb 0.60 -1.30 -0.11 0.00 -0.72 0.00 0.00 41.12 39.59 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 -3.52 -0.01 -0.03 5.18 2.01 -1.26 -5.01 115.64 113.00 1x5k s THR 90 Ca 0.32 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1x5k s THR 90 Cb -0.19 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 1x5k s THR 90 CO 0.82 0.02 1.47 -2.16 -0.69 0.00 0.00 174.62 174.08 1x5k s PRO 91 N 0.60 4.24 -0.11 4.92 0.04 -1.26 -3.34 135.00 140.09 1x5k s PRO 91 Ca -0.04 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.05 1x5k s PRO 91 Cb -0.05 -3.70 0.01 0.00 0.04 0.00 0.00 34.50 30.81 1x5k s PRO 91 CO -0.04 -0.67 -0.18 0.71 0.04 0.00 0.00 177.00 176.87 1x5k s TYR 92 N 2.94 2.14 -0.26 0.56 2.02 -1.13 -4.68 117.35 118.95 1x5k s TYR 92 Ca 0.66 -0.98 -0.09 0.00 -0.37 0.00 0.00 57.07 56.29 1x5k s TYR 92 Cb -0.31 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 1x5k s TYR 92 CO 0.26 -0.47 0.13 0.71 -1.57 0.00 0.00 175.55 174.61 1x5k s TYR 93 N 0.81 3.16 0.17 2.71 1.51 -1.17 -1.49 117.35 123.05 1x5k s TYR 93 Ca -0.10 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 1x5k s TYR 93 Cb -0.16 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.36 1x5k s TYR 93 CO 0.01 -0.23 0.14 -0.06 -1.11 0.00 0.00 175.55 174.30 1x5k s PHE 94 N 1.60 3.15 -0.06 2.71 0.08 -0.63 -3.03 117.98 121.80 1x5k s PHE 94 Ca 0.07 -0.02 -0.04 0.00 0.12 0.00 0.00 56.93 57.05 1x5k s PHE 94 Cb -0.15 -1.51 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1x5k s PHE 94 CO 0.07 0.52 0.16 0.15 -0.10 0.00 0.00 175.22 176.01 1x5k s LYS 95 N -3.13 0.15 0.04 0.44 1.02 0.13 -1.52 119.74 116.87 1x5k s LYS 95 Ca 0.31 0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.63 1x5k s LYS 95 Cb -0.10 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 1x5k s LYS 95 CO 0.23 -0.09 -0.01 0.42 -0.92 0.00 0.00 175.35 174.99 1x5k s ILE 96 N 0.58 4.04 -0.09 2.17 1.01 -1.26 -0.37 121.20 127.27 1x5k s ILE 96 Ca -0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1x5k s ILE 96 Cb -0.06 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.60 1x5k s ILE 96 CO -0.03 0.26 0.22 -1.58 0.00 0.00 0.00 174.94 173.81 1x5k s GLN 97 N -1.89 0.20 -0.23 2.79 2.00 -0.41 -3.45 119.66 118.67 1x5k s GLN 97 Ca 0.22 0.45 -0.09 0.00 -2.00 0.00 0.00 55.36 53.94 1x5k s GLN 97 Cb -0.12 -0.07 -0.04 0.00 0.80 0.00 0.00 33.01 33.58 1x5k s GLN 97 CO 0.14 -0.13 0.11 0.00 -0.50 0.00 0.00 175.29 174.90 1x5k s ALA 98 N 0.97 3.39 0.09 1.58 0.00 -1.26 -1.13 121.76 125.41 1x5k s ALA 98 Ca -0.07 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.01 1x5k s ALA 98 Cb -0.08 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1x5k s ALA 98 CO -0.06 -0.26 -0.22 0.50 0.00 0.00 0.00 175.76 175.72 1x5k s ARG 99 N 1.19 1.27 0.26 0.00 3.52 -0.80 -2.33 118.95 122.06 1x5k s ARG 99 Ca 0.06 -1.16 0.02 0.00 -0.13 0.00 0.00 55.73 54.51 1x5k s ARG 99 Cb -0.14 -1.55 -0.01 0.00 -1.56 0.00 0.00 34.95 31.69 1x5k s ARG 99 CO 0.04 0.37 0.06 0.27 -0.81 0.00 0.00 175.30 175.24 1x5k n ASN 100 N 1.23 1.67 0.19 -2.12 6.94 0.21 -2.34 115.26 121.04 1x5k n ASN 100 Ca -0.19 -2.31 0.12 0.00 -0.02 0.00 0.00 54.58 52.18 1x5k n ASN 100 Cb 0.53 0.49 0.38 0.00 -2.36 0.00 0.00 39.78 38.82 1x5k n ASN 100 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1x5k h SER 101 N 0.89 0.00 0.00 0.53 0.87 -1.91 -2.50 113.55 111.44 1x5k h SER 101 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1x5k h SER 101 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1x5k h SER 101 CO 0.34 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.93 1x5k n LYS 102 N -2.89 0.00 0.00 2.24 4.76 -1.26 -5.11 118.16 115.90 1x5k n LYS 102 Ca 0.05 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1x5k n LYS 102 Cb 0.91 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 33.50 1x5k n LYS 102 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5k n GLY 103 N 2.21 2.63 3.99 0.72 0.00 -0.94 -5.09 105.19 108.70 1x5k n GLY 103 Ca 0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 1.97 2.90 0.00 1.61 -1.94 -1.26 -0.62 119.30 121.96 1x5k s MET 104 Ca 0.00 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1x5k s MET 104 Cb 0.00 -2.68 0.00 0.00 2.01 0.00 0.00 34.83 34.16 1x5k s MET 104 CO 0.00 -0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.16 1x5k n GLY 105 N -1.93 5.61 3.77 -0.03 0.00 -0.99 -4.71 105.19 106.91 1x5k n GLY 105 Ca 0.04 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 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 1.87 4.24 0.08 1.61 0.04 -1.23 -4.90 135.00 136.71 1x5k s PRO 106 Ca 0.00 1.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 1x5k s PRO 106 Cb 0.00 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.58 1x5k s PRO 106 CO 0.00 -0.20 0.78 -1.64 0.04 0.00 0.00 177.00 175.99 1x5k s MET 107 N -1.99 4.53 1.01 4.56 -1.94 -1.26 -4.48 119.30 119.73 1x5k s MET 107 Ca 0.52 1.12 -0.13 0.00 -1.71 0.00 0.00 55.69 55.49 1x5k s MET 107 Cb -0.34 -3.34 0.19 0.00 2.01 0.00 0.00 34.83 33.35 1x5k s MET 107 CO 0.44 0.35 1.11 -1.54 -0.01 0.00 0.00 175.02 175.37 1x5k s SER 108 N -0.33 2.59 -0.05 3.03 1.04 -1.22 -4.97 113.70 113.79 1x5k s SER 108 Ca 0.39 1.04 -0.30 0.00 0.48 0.00 0.00 55.95 57.55 1x5k s SER 108 Cb -0.21 -1.62 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 1x5k s SER 108 CO 0.24 -3.14 1.15 -1.61 0.98 0.00 0.00 173.24 170.86 1x5k s GLU 109 N -5.11 4.39 -0.44 4.02 2.02 -1.26 -4.87 118.70 117.45 1x5k s GLU 109 Ca 0.66 1.61 -0.42 0.00 0.02 0.00 0.00 54.97 56.84 1x5k s GLU 109 Cb -0.17 -3.52 -0.18 0.00 0.10 0.00 0.00 34.13 30.36 1x5k s GLU 109 CO 0.56 -0.37 1.43 0.00 0.02 0.00 0.00 175.26 176.90 1x5k n ALA 110 N 4.93 -1.24 -2.82 5.21 0.00 -1.26 -4.86 120.51 120.46 1x5k n ALA 110 Ca 0.10 0.45 -0.44 0.00 0.00 0.00 0.00 53.44 53.55 1x5k n ALA 110 Cb 0.47 -1.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 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 2.66 5.00 -0.48 0.00 1.01 -0.57 -4.92 120.40 123.10 1x5k s VAL 111 Ca 0.94 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 1x5k s VAL 111 Cb -1.34 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 30.82 1x5k s VAL 111 CO 0.73 -0.75 1.07 -1.58 0.00 0.00 0.00 175.10 174.58 1x5k s GLN 112 N 2.28 3.65 -0.15 2.72 0.74 -1.26 -1.60 119.66 126.05 1x5k s GLN 112 Ca 0.11 0.42 0.00 0.00 0.05 0.00 0.00 55.36 55.94 1x5k s GLN 112 Cb -0.21 -3.92 0.03 0.00 1.10 0.00 0.00 33.01 30.00 1x5k s GLN 112 CO 0.10 -1.35 -0.12 0.12 -0.55 0.00 0.00 175.29 173.49 1x5k s PHE 113 N 4.26 2.04 0.08 1.67 2.19 -0.55 -4.99 117.98 122.69 1x5k s PHE 113 Ca 0.44 -1.17 -0.30 0.00 0.33 0.00 0.00 56.93 56.23 1x5k s PHE 113 Cb -0.08 -1.52 -0.06 0.00 -1.31 0.00 0.00 43.02 40.06 1x5k s PHE 113 CO 0.30 -0.65 1.13 0.50 1.83 0.00 0.00 175.22 178.33 1x5k s ARG 114 N 1.53 4.51 0.47 10.12 3.52 -1.26 -2.82 118.95 135.01 1x5k s ARG 114 Ca 0.04 1.68 -0.21 0.00 -0.13 0.00 0.00 55.73 57.11 1x5k s ARG 114 Cb -0.13 -3.35 -0.08 0.00 -1.56 0.00 0.00 34.95 29.83 1x5k s ARG 114 CO -0.10 -0.11 1.07 0.95 -0.81 0.00 0.00 175.30 176.30 1x5k s THR 115 N 0.65 3.59 0.00 4.11 -4.23 -1.21 -5.01 115.64 113.54 1x5k s THR 115 Ca 0.55 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 62.11 1x5k s THR 115 Cb -0.28 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1x5k s THR 115 CO 0.31 -0.15 0.00 -0.81 -0.54 0.00 0.00 174.62 173.43 1x5k n PRO 116 N -0.78 0.22 -4.05 3.99 -0.04 -1.26 -3.89 135.00 129.19 1x5k n PRO 116 Ca 0.09 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1x5k n PRO 116 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.56 -1.34 0.54 -0.14 -1.26 -3.32 119.74 113.64 1x5k s LYS 117 Ca 0.00 -1.07 -0.15 0.00 -1.36 0.00 0.00 55.97 53.39 1x5k s LYS 117 Cb 0.00 0.20 -0.01 0.00 -1.68 0.00 0.00 37.83 36.34 1x5k s LYS 117 CO 0.00 -0.11 2.22 0.00 -0.76 0.00 0.00 175.35 176.71 1x5k n ALA 118 N 0.42 5.26 -0.03 5.17 0.00 -1.26 -4.28 120.51 125.79 1x5k n ALA 118 Ca -0.16 -3.72 -0.07 0.00 0.00 0.00 0.00 53.44 49.49 1x5k n ALA 118 Cb 0.60 -3.54 -0.02 0.00 0.00 0.00 0.00 19.45 16.49 1x5k n ALA 118 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x5k n SER 119 N 6.14 0.54 -4.66 0.00 3.41 -1.26 -5.03 113.62 112.77 1x5k n SER 119 Ca 0.53 0.09 -0.46 0.00 -0.26 0.00 0.00 58.87 58.78 1x5k n SER 119 Cb 0.38 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1x5k n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5k n GLY 120 N 2.62 0.74 3.62 5.00 0.00 -1.26 -4.97 105.19 110.93 1x5k n GLY 120 Ca -0.12 0.53 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.17 -0.74 -0.18 1.61 0.04 -1.26 -5.04 135.00 129.26 1x5k s PRO 121 Ca 0.71 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.71 1x5k s PRO 121 Cb -0.69 -1.64 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 1x5k s PRO 121 CO 0.48 -3.43 -0.15 -1.13 0.04 0.00 0.00 177.00 172.81 1x5k n SER 122 N -4.59 1.87 -3.69 6.66 3.41 -1.26 -4.97 113.62 111.05 1x5k n SER 122 Ca 0.11 0.49 -0.19 0.00 -0.26 0.00 0.00 58.87 59.02 1x5k n SER 122 Cb 0.59 -0.86 -0.17 0.00 -0.26 0.00 0.00 64.21 63.50 1x5k n SER 122 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5k s SER 123 N -6.23 0.90 0.00 4.04 0.15 -1.26 -5.10 113.70 106.20 1x5k s SER 123 Ca -0.24 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1x5k s SER 123 Cb 0.05 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1x5k s SER 123 CO 0.38 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.20