#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 -0.53 0.29 1.61 0.15 -1.26 -5.19 113.70 108.77 1x5k s SER 2 Ca 0.00 0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.84 1x5k s SER 2 Cb 0.00 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 1x5k s SER 2 CO 0.00 -0.65 0.66 -0.44 1.20 0.00 0.00 173.24 174.01 1x5k s SER 3 N -1.76 -0.14 -0.38 5.45 0.01 -1.26 -5.14 113.70 110.48 1x5k s SER 3 Ca -0.04 -0.79 0.06 0.00 1.31 0.00 0.00 55.95 56.49 1x5k s SER 3 Cb -0.00 0.71 0.17 0.00 0.21 0.00 0.00 66.02 67.11 1x5k s SER 3 CO -0.00 -1.34 0.55 -0.83 0.41 0.00 0.00 173.24 172.03 1x5k s GLY 4 N -2.98 -0.91 -0.48 3.44 0.00 -1.26 -5.11 107.32 100.02 1x5k s GLY 4 Ca 0.15 0.03 -0.45 0.00 0.00 0.00 0.00 44.72 44.45 1x5k s GLY 4 CO 0.09 3.39 1.81 1.44 0.00 0.00 0.00 173.10 179.83 1x5k n SER 5 N 4.58 1.14 -4.65 1.64 7.64 -1.26 -4.68 113.62 118.02 1x5k n SER 5 Ca 0.09 0.99 -0.62 0.00 1.01 0.00 0.00 58.87 60.34 1x5k n SER 5 Cb 0.53 -0.91 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 1x5k n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5k n SER 6 N 5.44 1.08 -4.67 6.43 3.41 -1.26 -4.90 113.62 119.15 1x5k n SER 6 Ca 0.39 1.16 -0.37 0.00 -0.26 0.00 0.00 58.87 59.79 1x5k n SER 6 Cb -0.04 -0.96 -0.09 0.00 -0.26 0.00 0.00 64.21 62.86 1x5k n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5k s GLY 7 N 1.96 2.01 -0.04 5.00 0.00 -1.26 -4.99 107.32 110.00 1x5k s GLY 7 Ca 0.98 -0.81 -0.26 0.00 0.00 0.00 0.00 44.72 44.63 1x5k s GLY 7 CO 0.69 0.43 1.18 -0.84 0.00 0.00 0.00 173.10 174.55 1x5k h THR 8 N 4.98 1.46 -3.27 0.90 2.02 -2.03 -3.46 112.91 113.52 1x5k h THR 8 Ca -0.38 -1.43 -0.45 0.00 0.77 0.00 0.00 66.41 64.91 1x5k h THR 8 Cb 1.17 2.39 0.09 0.00 -1.74 0.00 0.00 68.15 70.05 1x5k h THR 8 CO 0.68 0.38 0.19 0.00 0.37 0.00 0.00 175.52 177.14 1x5k s ALA 9 N -3.83 3.26 -0.04 6.16 0.00 -1.26 -5.11 121.76 120.94 1x5k s ALA 9 Ca -0.16 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1x5k s ALA 9 Cb 0.01 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.73 1x5k s ALA 9 CO 0.69 -1.41 -0.06 -1.01 0.00 0.00 0.00 175.76 173.97 1x5k s HIS 10 N -3.24 0.80 0.45 0.00 3.76 -1.26 -5.08 115.29 110.71 1x5k s HIS 10 Ca 0.63 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 1x5k s HIS 10 Cb -0.09 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 32.96 1x5k s HIS 10 CO 0.45 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.59 1x5k n GLY 11 N 3.76 -3.81 3.35 -2.22 0.00 -1.26 -4.98 105.19 100.03 1x5k n GLY 11 Ca -0.23 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1x5k n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5k s THR 12 N -4.99 2.30 -0.64 2.61 2.01 -1.26 -5.09 115.64 110.59 1x5k s THR 12 Ca 0.00 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 60.77 1x5k s THR 12 Cb 0.00 -1.83 0.10 0.00 0.01 0.00 0.00 72.50 70.78 1x5k s THR 12 CO 0.00 0.57 0.82 -0.89 -0.69 0.00 0.00 174.62 174.43 1x5k s THR 13 N -0.65 4.67 0.35 -0.82 2.01 -1.26 -5.02 115.64 114.91 1x5k s THR 13 Ca 0.10 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.34 1x5k s THR 13 Cb -0.10 -4.57 -0.06 0.00 0.01 0.00 0.00 72.50 67.77 1x5k s THR 13 CO -0.00 -1.26 -0.07 0.72 -0.69 0.00 0.00 174.62 173.32 1x5k s PHE 14 N 3.09 2.44 0.09 4.92 -0.12 -1.26 -5.16 117.98 121.98 1x5k s PHE 14 Ca 0.16 -0.49 -0.10 0.00 -0.05 0.00 0.00 56.93 56.46 1x5k s PHE 14 Cb -0.20 -1.42 0.00 0.00 -0.63 0.00 0.00 43.02 40.77 1x5k s PHE 14 CO 0.06 0.56 0.22 -2.00 -0.05 0.00 0.00 175.22 174.01 1x5k s GLU 15 N -3.64 0.87 -0.18 1.99 2.56 -1.26 -5.11 118.70 113.94 1x5k s GLU 15 Ca 0.33 -0.92 0.00 0.00 0.00 0.00 0.00 54.97 54.38 1x5k s GLU 15 Cb 0.02 0.36 0.04 0.00 2.00 0.00 0.00 34.13 36.55 1x5k s GLU 15 CO 0.17 -0.29 -0.08 -0.51 -0.56 0.00 0.00 175.26 174.00 1x5k s LEU 16 N -2.84 1.86 0.65 2.70 1.43 -1.11 -5.09 118.68 116.27 1x5k s LEU 16 Ca 0.05 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.24 1x5k s LEU 16 Cb 0.04 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 1x5k s LEU 16 CO -0.11 -0.16 0.69 1.33 0.23 0.00 0.00 176.35 178.33 1x5k n VAL 17 N 4.80 2.59 -2.04 -1.59 0.24 -1.26 -4.35 118.33 116.71 1x5k n VAL 17 Ca -0.13 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.34 61.33 1x5k n VAL 17 Cb 0.47 -0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 31.94 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 -2.64 2.62 -0.01 7.34 0.04 -1.26 -4.82 135.00 136.27 1x5k s PRO 18 Ca 0.70 0.60 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1x5k s PRO 18 Cb -0.39 -4.39 0.06 0.00 0.04 0.00 0.00 34.50 29.82 1x5k s PRO 18 CO 0.53 -2.74 0.76 -2.37 0.04 0.00 0.00 177.00 173.22 1x5k n THR 19 N 7.21 0.18 -4.60 1.26 5.66 -1.26 -3.96 114.28 118.77 1x5k n THR 19 Ca 0.20 -0.11 -0.22 0.00 -3.05 0.00 0.00 64.05 60.88 1x5k n THR 19 Cb 0.52 -0.30 -0.15 0.00 -1.55 0.00 0.00 70.33 68.85 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 -0.39 1.76 0.94 1.09 1.04 -1.26 -4.73 113.70 112.15 1x5k s SER 20 Ca 0.04 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.03 1x5k s SER 20 Cb 0.03 -0.17 0.16 0.00 0.10 0.00 0.00 66.02 66.13 1x5k s SER 20 CO 0.02 0.15 1.09 -2.16 0.98 0.00 0.00 173.24 173.32 1x5k s PRO 21 N -0.58 0.88 0.04 4.02 0.04 -1.26 -4.76 135.00 133.38 1x5k s PRO 21 Ca 0.05 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 61.77 1x5k s PRO 21 Cb -0.06 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.71 1x5k s PRO 21 CO 0.00 -2.46 0.03 -0.35 0.04 0.00 0.00 177.00 174.26 1x5k n PRO 22 N -4.02 -1.08 -4.15 0.56 -0.04 -1.26 -4.56 135.00 120.45 1x5k n PRO 22 Ca 0.06 -0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1x5k n PRO 22 Cb 0.56 -0.05 -0.08 0.00 -0.04 0.00 0.00 33.50 33.89 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 -3.08 1.47 -1.47 0.54 1.02 -0.50 -4.88 119.74 112.85 1x5k s LYS 23 Ca 0.02 -1.63 -0.11 0.00 0.02 0.00 0.00 55.97 54.28 1x5k s LYS 23 Cb -0.00 0.35 0.06 0.00 -0.52 0.00 0.00 37.83 37.72 1x5k s LYS 23 CO 0.02 -0.55 0.94 -0.25 -0.92 0.00 0.00 175.35 174.59 1x5k n ASP 24 N -0.67 -4.15 -4.62 2.83 8.00 -1.26 0.70 116.55 117.37 1x5k n ASP 24 Ca 0.02 -0.77 -0.43 0.00 0.71 0.00 0.00 54.79 54.32 1x5k n ASP 24 Cb 0.64 -4.01 -0.02 0.00 -0.02 0.00 0.00 41.12 37.71 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 -3.38 4.06 0.01 2.53 1.01 -1.26 -3.73 120.40 119.64 1x5k s VAL 25 Ca 0.52 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.71 1x5k s VAL 25 Cb -0.26 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1x5k s VAL 25 CO 0.82 -0.55 -0.13 0.42 0.00 0.00 0.00 175.10 175.66 1x5k s THR 26 N 4.68 1.04 -0.23 3.92 -4.23 -0.65 -5.02 115.64 115.15 1x5k s THR 26 Ca 0.58 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.33 1x5k s THR 26 Cb -0.16 -0.91 0.07 0.00 1.34 0.00 0.00 72.50 72.84 1x5k s THR 26 CO 0.26 0.15 0.02 -0.69 -0.54 0.00 0.00 174.62 173.82 1x5k s VAL 27 N -0.55 0.94 0.45 2.29 1.01 -1.26 -1.51 120.40 121.77 1x5k s VAL 27 Ca 0.03 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1x5k s VAL 27 Cb -0.06 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1x5k s VAL 27 CO 0.00 -0.28 0.31 0.68 0.00 0.00 0.00 175.10 175.82 1x5k s VAL 28 N 1.65 2.22 -0.02 2.92 -7.23 -0.68 -4.98 120.40 114.28 1x5k s VAL 28 Ca -0.00 -1.51 0.04 0.00 -1.81 0.00 0.00 61.98 58.70 1x5k s VAL 28 Cb -0.18 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1x5k s VAL 28 CO -0.11 0.00 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.11 1x5k s SER 29 N -4.10 4.17 0.53 4.85 0.01 -1.26 -1.75 113.70 116.15 1x5k s SER 29 Ca 0.41 -0.21 -0.18 0.00 1.31 0.00 0.00 55.95 57.28 1x5k s SER 29 Cb -0.00 -0.88 -0.07 0.00 0.21 0.00 0.00 66.02 65.28 1x5k s SER 29 CO 0.24 0.32 1.03 -0.75 0.41 0.00 0.00 173.24 174.49 1x5k s LYS 30 N -1.02 3.67 -0.13 12.44 2.47 0.70 -4.89 119.74 132.98 1x5k s LYS 30 Ca 0.13 1.24 -0.07 0.00 -1.56 0.00 0.00 55.97 55.71 1x5k s LYS 30 Cb -0.11 -2.08 -0.05 0.00 -1.46 0.00 0.00 37.83 34.13 1x5k s LYS 30 CO 0.03 -0.52 0.01 1.49 0.16 0.00 0.00 175.35 176.52 1x5k h GLU 31 N 1.09 0.00 -1.23 4.03 4.57 -1.97 -3.36 114.58 117.71 1x5k h GLU 31 Ca -0.48 0.00 0.35 0.00 -1.18 0.00 0.00 59.36 58.05 1x5k h GLU 31 Cb 1.21 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.74 1x5k h GLU 31 CO 0.59 0.16 0.87 0.78 -1.18 0.00 0.00 179.01 180.22 1x5k h GLY 32 N -1.00 0.29 -6.11 1.92 0.00 -1.96 -3.38 103.07 92.83 1x5k h GLY 32 Ca -0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 47.33 47.01 1x5k h GLY 32 CO -0.02 -0.05 -0.64 1.25 0.00 0.00 0.00 176.54 177.08 1x5k s LYS 33 N -5.06 0.05 0.16 4.80 2.47 -1.26 -5.05 119.74 115.86 1x5k s LYS 33 Ca -0.06 0.25 -0.09 0.00 -1.56 0.00 0.00 55.97 54.51 1x5k s LYS 33 Cb 0.24 -0.14 0.00 0.00 -1.46 0.00 0.00 37.83 36.47 1x5k s LYS 33 CO 0.81 -0.12 1.49 -1.00 0.16 0.00 0.00 175.35 176.69 1x5k h PRO 34 N 6.92 0.88 -0.22 4.03 0.13 -1.76 -3.16 132.00 138.81 1x5k h PRO 34 Ca -0.39 -0.46 -0.15 0.00 -0.87 0.00 0.00 66.00 64.13 1x5k h PRO 34 Cb 1.15 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1x5k h PRO 34 CO 0.45 1.11 -0.46 0.87 -0.23 0.00 0.00 178.00 179.74 1x5k h LYS 35 N 0.71 0.58 -6.36 0.86 1.57 -1.89 -3.41 116.57 108.64 1x5k h LYS 35 Ca 0.06 -0.32 -0.54 0.00 -1.87 0.00 0.00 60.65 57.97 1x5k h LYS 35 Cb 0.98 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.31 1x5k h LYS 35 CO 0.09 0.92 1.02 0.99 -0.57 0.00 0.00 179.45 181.91 1x5k s THR 36 N -4.15 3.35 0.13 -0.16 2.01 -1.19 -4.29 115.64 111.33 1x5k s THR 36 Ca -0.08 0.64 0.05 0.00 0.31 0.00 0.00 61.69 62.61 1x5k s THR 36 Cb 0.12 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1x5k s THR 36 CO 0.83 -0.03 -0.12 0.27 -0.69 0.00 0.00 174.62 174.88 1x5k s ILE 37 N 3.26 1.25 -0.06 1.82 -4.36 -0.47 -0.22 121.20 122.43 1x5k s ILE 37 Ca 0.73 -1.82 0.05 0.00 -0.26 0.00 0.00 60.65 59.35 1x5k s ILE 37 Cb -0.36 -1.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 1x5k s ILE 37 CO 0.31 -0.54 -0.21 -0.63 0.24 0.00 0.00 174.94 174.11 1x5k s ILE 38 N -2.54 2.44 -0.27 8.37 1.09 -0.72 -1.98 121.20 127.59 1x5k s ILE 38 Ca 0.11 -0.94 0.02 0.00 -1.10 0.00 0.00 60.65 58.75 1x5k s ILE 38 Cb -0.02 -1.92 0.07 0.00 -1.06 0.00 0.00 42.46 39.53 1x5k s ILE 38 CO 0.02 0.57 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.68 1x5k s VAL 39 N -0.36 1.94 0.26 2.92 1.01 -0.11 -1.68 120.40 124.38 1x5k s VAL 39 Ca 0.03 -1.61 0.06 0.00 0.00 0.00 0.00 61.98 60.47 1x5k s VAL 39 Cb -0.12 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1x5k s VAL 39 CO 0.02 -0.16 0.26 0.20 0.00 0.00 0.00 175.10 175.43 1x5k s ASN 40 N 1.18 5.75 0.16 3.32 0.01 -0.57 -1.50 114.94 123.30 1x5k s ASN 40 Ca -0.04 -0.18 -0.23 0.00 -0.71 0.00 0.00 52.86 51.70 1x5k s ASN 40 Cb -0.19 -1.49 0.08 0.00 0.41 0.00 0.00 41.25 40.06 1x5k s ASN 40 CO -0.06 -0.09 1.07 -1.66 -1.51 0.00 0.00 177.10 174.84 1x5k s TRP 41 N -2.11 0.07 0.07 2.20 -2.14 -0.74 -1.64 118.94 114.65 1x5k s TRP 41 Ca 0.34 -0.44 0.02 0.00 2.66 0.00 0.00 56.10 58.69 1x5k s TRP 41 Cb -0.08 0.68 -0.03 0.00 -3.10 0.00 0.00 33.47 30.94 1x5k s TRP 41 CO 0.27 -0.84 -0.08 -0.65 -2.66 0.00 0.00 176.95 172.99 1x5k s GLN 42 N -2.11 0.69 0.45 3.25 -1.52 0.22 -4.80 119.66 115.83 1x5k s GLN 42 Ca 0.23 -1.04 -0.23 0.00 -1.95 0.00 0.00 55.36 52.36 1x5k s GLN 42 Cb -0.02 -0.29 -0.08 0.00 -0.22 0.00 0.00 33.01 32.40 1x5k s GLN 42 CO 0.05 0.03 1.17 -1.25 -0.25 0.00 0.00 175.29 175.03 1x5k s PRO 43 N -2.65 3.82 0.81 2.91 0.04 -1.26 -1.40 135.00 137.26 1x5k s PRO 43 Ca 0.01 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1x5k s PRO 43 Cb -0.03 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 32.13 1x5k s PRO 43 CO -0.02 -0.51 1.09 -1.25 0.04 0.00 0.00 177.00 176.35 1x5k s PRO 44 N -2.61 1.95 0.12 0.56 0.04 -1.26 -4.66 135.00 129.14 1x5k s PRO 44 Ca 0.62 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 1x5k s PRO 44 Cb -0.29 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1x5k s PRO 44 CO 0.36 -1.83 1.31 0.66 0.04 0.00 0.00 177.00 177.54 1x5k h SER 45 N -1.26 0.73 -0.07 6.66 4.64 -1.95 -3.27 113.55 119.03 1x5k h SER 45 Ca -0.45 -0.53 -0.17 0.00 -0.47 0.00 0.00 61.79 60.17 1x5k h SER 45 Cb 1.25 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 1x5k h SER 45 CO 0.52 1.31 -0.25 -0.62 -0.87 0.00 0.00 176.83 176.93 1x5k n GLU 46 N -3.85 1.80 -0.38 4.77 1.02 -1.26 -4.63 120.64 118.11 1x5k n GLU 46 Ca -0.07 -0.86 0.35 0.00 -0.02 0.00 0.00 57.16 56.56 1x5k n GLU 46 Cb 0.79 -1.78 0.62 0.00 -0.02 0.00 0.00 31.44 31.05 1x5k n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5k h ALA 47 N 2.53 2.42 -3.44 0.62 0.00 -1.96 -3.42 119.26 116.01 1x5k h ALA 47 Ca 0.16 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1x5k h ALA 47 Cb 1.35 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1x5k h ALA 47 CO 0.22 -1.17 0.00 0.09 0.00 0.00 0.00 179.25 178.39 1x5k n ASN 48 N -5.05 -0.50 0.00 0.00 3.02 -1.26 -4.37 115.26 107.10 1x5k n ASN 48 Ca 0.39 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 1x5k n ASN 48 Cb 1.39 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.25 1.12 3.65 7.41 0.00 -1.26 -2.77 105.19 113.09 1x5k n GLY 49 Ca 0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.00 4.21 0.13 1.61 2.47 -1.26 -5.02 119.74 119.88 1x5k s LYS 50 Ca 0.00 0.85 -0.31 0.00 -1.56 0.00 0.00 55.97 54.95 1x5k s LYS 50 Cb 0.00 -3.62 -0.08 0.00 -1.46 0.00 0.00 37.83 32.67 1x5k s LYS 50 CO 0.00 -0.41 1.43 0.42 0.16 0.00 0.00 175.35 176.95 1x5k s ILE 51 N 2.47 3.12 -0.18 5.43 -1.09 -1.26 -3.25 121.20 126.44 1x5k s ILE 51 Ca 0.33 0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 59.55 1x5k s ILE 51 Cb -0.16 -3.52 -0.11 0.00 -1.58 0.00 0.00 42.46 37.10 1x5k s ILE 51 CO 0.09 0.07 -0.18 0.35 -1.23 0.00 0.00 174.94 174.04 1x5k n THR 52 N 3.89 1.02 -3.39 2.92 -2.24 -0.55 -4.93 114.28 111.01 1x5k n THR 52 Ca 0.12 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.52 1x5k n THR 52 Cb 0.41 -1.28 0.01 0.00 -2.10 0.00 0.00 70.33 67.37 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 2.45 1.43 3.13 3.38 0.00 -0.99 -3.60 105.19 110.98 1x5k n GLY 53 Ca -0.33 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 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 -5.96 0.32 0.00 1.61 1.51 -1.24 -1.97 117.35 111.62 1x5k s TYR 54 Ca 0.06 -0.76 0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1x5k s TYR 54 Cb -0.01 -0.22 -0.01 0.00 -0.11 0.00 0.00 41.96 41.60 1x5k s TYR 54 CO 0.03 -0.42 -0.11 0.42 -1.11 0.00 0.00 175.55 174.36 1x5k s ILE 55 N -3.47 0.86 -0.06 2.71 1.01 -0.34 -0.70 121.20 121.20 1x5k s ILE 55 Ca 0.02 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.13 1x5k s ILE 55 Cb 0.04 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 1x5k s ILE 55 CO -0.09 0.15 -0.22 -0.63 0.00 0.00 0.00 174.94 174.16 1x5k s ILE 56 N -0.43 2.34 -0.09 2.92 1.01 -0.45 -1.32 121.20 125.18 1x5k s ILE 56 Ca 0.03 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1x5k s ILE 56 Cb -0.05 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1x5k s ILE 56 CO -0.00 0.57 -0.19 -0.31 0.00 0.00 0.00 174.94 175.01 1x5k s TYR 57 N -0.20 2.10 0.14 3.97 1.51 0.02 -0.57 117.35 124.32 1x5k s TYR 57 Ca -0.02 -0.87 -0.01 0.00 -1.01 0.00 0.00 57.07 55.16 1x5k s TYR 57 Cb -0.13 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1x5k s TYR 57 CO 0.03 -0.39 0.07 1.52 -1.11 0.00 0.00 175.55 175.68 1x5k s TYR 58 N 0.57 0.88 0.05 2.71 -0.85 -1.24 -0.21 117.35 119.25 1x5k s TYR 58 Ca -0.15 -1.24 -0.28 0.00 -0.52 0.00 0.00 57.07 54.88 1x5k s TYR 58 Cb -0.17 -0.48 0.10 0.00 0.38 0.00 0.00 41.96 41.80 1x5k s TYR 58 CO 0.05 -0.54 1.18 0.45 -1.52 0.00 0.00 175.55 175.17 1x5k s SER 59 N -3.06 -0.07 0.00 -0.18 0.15 -1.16 -2.44 113.70 106.93 1x5k s SER 59 Ca 0.26 -0.26 0.12 0.00 0.70 0.00 0.00 55.95 56.76 1x5k s SER 59 Cb 0.07 0.28 0.35 0.00 -1.71 0.00 0.00 66.02 65.01 1x5k s SER 59 CO 0.03 -0.52 1.28 0.35 1.20 0.00 0.00 173.24 175.58 1x5k n THR 60 N -0.55 0.43 -3.75 6.45 -2.24 -1.26 -3.35 114.28 110.01 1x5k n THR 60 Ca -0.06 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 1x5k n THR 60 Cb 0.62 0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.06 -0.36 0.13 3.42 1.01 -1.26 -5.01 116.67 113.54 1x5k s ASP 61 Ca 0.24 0.68 0.23 0.00 0.71 0.00 0.00 52.55 54.41 1x5k s ASP 61 Cb 0.12 0.67 0.02 0.00 1.01 0.00 0.00 42.92 44.74 1x5k s ASP 61 CO 0.17 -0.13 1.01 0.55 0.21 0.00 0.00 175.17 176.98 1x5k n VAL 62 N 3.14 0.41 -1.04 -1.27 3.14 -1.26 -4.03 118.33 117.42 1x5k n VAL 62 Ca -0.15 -0.44 -0.24 0.00 -2.96 0.00 0.00 64.34 60.55 1x5k n VAL 62 Cb 0.57 -0.15 0.13 0.00 -1.06 0.00 0.00 33.84 33.34 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 -2.39 4.78 -4.75 6.55 3.02 -1.26 -4.94 115.26 116.27 1x5k n ASN 63 Ca 0.00 -3.47 -0.31 0.00 -0.03 0.00 0.00 54.58 50.77 1x5k n ASN 63 Cb 0.51 -0.86 -0.07 0.00 -0.61 0.00 0.00 39.78 38.75 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5k s ALA 64 N -3.03 3.48 0.19 5.41 0.00 -1.26 -5.07 121.76 121.48 1x5k s ALA 64 Ca 0.52 -1.03 -0.32 0.00 0.00 0.00 0.00 51.96 51.13 1x5k s ALA 64 Cb 0.43 -1.37 -0.11 0.00 0.00 0.00 0.00 23.12 22.07 1x5k s ALA 64 CO 0.07 0.73 1.65 -1.21 0.00 0.00 0.00 175.76 177.00 1x5k s GLU 65 N -2.31 4.17 0.30 0.00 8.01 -1.26 -4.82 118.70 122.79 1x5k s GLU 65 Ca 0.28 2.50 0.20 0.00 0.01 0.00 0.00 54.97 57.96 1x5k s GLU 65 Cb -0.12 -3.11 1.04 0.00 -4.31 0.00 0.00 34.13 27.63 1x5k s GLU 65 CO 0.20 -0.69 1.13 1.51 0.01 0.00 0.00 175.26 177.42 1x5k n ILE 66 N 3.97 -0.22 -0.05 -1.63 0.13 -1.26 0.23 119.36 120.52 1x5k n ILE 66 Ca 0.15 1.35 -0.10 0.00 -1.10 0.00 0.00 62.75 63.05 1x5k n ILE 66 Cb 0.37 -2.21 -0.03 0.00 -0.84 0.00 0.00 39.64 36.93 1x5k n ILE 66 CO 0.00 0.00 0.00 1.12 2.80 0.00 0.00 176.55 180.47 1x5k h HIS 67 N 0.00 0.28 -0.90 9.51 2.07 -2.02 -2.20 115.15 121.89 1x5k h HIS 67 Ca 0.62 0.01 0.20 0.00 -2.85 0.00 0.00 60.37 58.35 1x5k h HIS 67 Cb 1.89 -0.10 -0.07 0.00 2.57 0.00 0.00 27.41 31.71 1x5k h HIS 67 CO -0.01 0.18 0.60 0.22 -3.07 0.00 0.00 177.93 175.85 1x5k h ASP 68 N 0.30 0.41 -4.05 3.10 1.82 0.25 -3.42 116.42 114.83 1x5k h ASP 68 Ca 0.08 0.04 -0.55 0.00 -0.39 0.00 0.00 57.03 56.22 1x5k h ASP 68 Cb -0.03 -0.03 0.13 0.00 0.68 0.00 0.00 39.33 40.08 1x5k h ASP 68 CO -0.02 0.16 0.59 0.26 -1.61 0.00 0.00 179.24 178.62 1x5k s TRP 69 N -5.43 2.30 0.42 0.28 0.52 -0.83 -4.99 118.94 111.22 1x5k s TRP 69 Ca -0.08 1.40 -0.19 0.00 0.02 0.00 0.00 56.10 57.24 1x5k s TRP 69 Cb 0.23 -3.76 -0.10 0.00 -1.15 0.00 0.00 33.47 28.69 1x5k s TRP 69 CO 0.78 -2.81 0.91 0.54 0.02 0.00 0.00 176.95 176.40 1x5k s VAL 70 N -1.33 4.48 -0.33 4.03 0.11 -1.02 -4.91 120.40 121.42 1x5k s VAL 70 Ca 0.72 1.32 -0.10 0.00 -2.93 0.00 0.00 61.98 60.99 1x5k s VAL 70 Cb -0.39 -3.63 -0.00 0.00 -1.53 0.00 0.00 36.38 30.83 1x5k s VAL 70 CO 0.46 -0.36 0.17 -0.63 -3.33 0.00 0.00 175.10 171.41 1x5k s ILE 71 N -2.22 4.65 -0.70 7.04 1.01 -1.26 -3.70 121.20 126.01 1x5k s ILE 71 Ca 0.60 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1x5k s ILE 71 Cb -0.09 -3.42 0.18 0.00 0.01 0.00 0.00 42.46 39.14 1x5k s ILE 71 CO 0.17 -0.00 0.52 -1.61 0.00 0.00 0.00 174.94 174.03 1x5k s GLU 72 N 1.61 2.72 0.19 2.79 8.01 0.26 -4.97 118.70 129.31 1x5k s GLU 72 Ca 0.04 -2.79 -0.30 0.00 0.01 0.00 0.00 54.97 51.93 1x5k s GLU 72 Cb -0.17 -3.75 -0.09 0.00 -4.31 0.00 0.00 34.13 25.81 1x5k s GLU 72 CO 0.07 -1.20 1.31 -1.25 0.01 0.00 0.00 175.26 174.19 1x5k s PRO 73 N -0.51 4.39 -0.50 0.39 0.04 -1.26 -1.34 135.00 136.21 1x5k s PRO 73 Ca 0.20 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.22 1x5k s PRO 73 Cb -0.16 -3.20 0.13 0.00 0.04 0.00 0.00 34.50 31.30 1x5k s PRO 73 CO -0.06 -0.26 0.33 0.08 0.04 0.00 0.00 177.00 177.13 1x5k s VAL 74 N 0.20 3.84 0.78 -0.36 1.01 0.12 -4.98 120.40 121.01 1x5k s VAL 74 Ca 0.57 -2.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.24 1x5k s VAL 74 Cb -0.36 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1x5k s VAL 74 CO 0.37 -0.78 0.71 1.33 0.00 0.00 0.00 175.10 176.73 1x5k n VAL 75 N 4.46 1.68 -1.45 2.92 0.24 -1.26 -3.72 118.33 121.20 1x5k n VAL 75 Ca -0.02 -0.32 0.18 0.00 -2.04 0.00 0.00 64.34 62.15 1x5k n VAL 75 Cb 0.41 -0.87 -0.08 0.00 -1.47 0.00 0.00 33.84 31.83 1x5k n VAL 75 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5k n GLY 76 N 1.32 -3.04 3.17 7.63 0.00 -1.26 -4.18 105.19 108.82 1x5k n GLY 76 Ca 0.11 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.34 3.21 -4.62 1.61 0.23 -1.24 -4.58 115.26 105.54 1x5k n ASN 77 Ca -0.07 -2.75 -0.34 0.00 -0.53 0.00 0.00 54.58 50.89 1x5k n ASN 77 Cb 0.68 -1.43 -0.10 0.00 -2.08 0.00 0.00 39.78 36.84 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 4.82 3.04 0.00 -3.83 6.06 -1.26 -4.99 118.95 122.78 1x5k s ARG 78 Ca 0.57 -0.47 0.15 0.00 -2.50 0.00 0.00 55.73 53.48 1x5k s ARG 78 Cb 0.10 -2.75 0.17 0.00 0.06 0.00 0.00 34.95 32.52 1x5k s ARG 78 CO 0.07 0.61 1.04 1.28 -2.50 0.00 0.00 175.30 175.80 1x5k n LEU 79 N 2.42 2.43 -4.21 -0.88 4.77 -1.26 -4.58 117.00 115.68 1x5k n LEU 79 Ca -0.18 -1.15 -0.21 0.00 -0.03 0.00 0.00 56.01 54.44 1x5k n LEU 79 Cb 0.53 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 1x5k n LEU 79 CO 0.29 0.47 -0.48 0.28 -1.33 0.00 0.00 177.39 176.62 1x5k s THR 80 N -1.23 1.36 0.02 -5.08 -1.32 -1.26 -1.79 115.64 106.35 1x5k s THR 80 Ca 0.20 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 1x5k s THR 80 Cb 0.13 -1.26 -0.02 0.00 -1.51 0.00 0.00 72.50 69.84 1x5k s THR 80 CO 0.19 -0.13 -0.03 -2.28 -2.21 0.00 0.00 174.62 170.17 1x5k s HIS 81 N -1.18 0.28 -0.25 9.09 2.46 -0.56 -4.97 115.29 120.16 1x5k s HIS 81 Ca 0.02 -0.44 0.01 0.00 0.47 0.00 0.00 55.06 55.12 1x5k s HIS 81 Cb -0.10 -0.19 0.07 0.00 -0.13 0.00 0.00 32.58 32.23 1x5k s HIS 81 CO 0.03 -0.14 -0.02 -0.65 -2.47 0.00 0.00 174.74 171.49 1x5k s GLN 82 N -1.23 1.44 -0.09 2.88 1.11 -1.26 -0.93 119.66 121.58 1x5k s GLN 82 Ca -0.12 -1.07 -0.04 0.00 0.01 0.00 0.00 55.36 54.14 1x5k s GLN 82 Cb -0.08 -2.56 -0.04 0.00 -1.01 0.00 0.00 33.01 29.32 1x5k s GLN 82 CO -0.01 -0.69 0.06 0.42 0.01 0.00 0.00 175.29 175.09 1x5k s ILE 83 N 1.39 4.82 0.44 1.08 1.01 -0.84 -4.96 121.20 124.14 1x5k s ILE 83 Ca -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.59 1x5k s ILE 83 Cb -0.19 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1x5k s ILE 83 CO -0.09 0.59 0.12 -1.10 0.00 0.00 0.00 174.94 174.47 1x5k s GLN 84 N -1.01 2.02 -1.43 2.79 -0.21 -1.26 -1.37 119.66 119.19 1x5k s GLN 84 Ca 0.15 -2.26 -0.02 0.00 0.02 0.00 0.00 55.36 53.25 1x5k s GLN 84 Cb -0.12 -0.71 0.00 0.00 1.00 0.00 0.00 33.01 33.19 1x5k s GLN 84 CO 0.04 -0.51 0.30 0.39 -2.12 0.00 0.00 175.29 173.39 1x5k n GLU 85 N -1.00 -3.02 -2.53 2.91 -0.58 -1.26 -4.93 120.64 110.22 1x5k n GLU 85 Ca -0.08 0.83 -0.24 0.00 -0.42 0.00 0.00 57.16 57.24 1x5k n GLU 85 Cb 0.65 -5.38 0.10 0.00 -0.57 0.00 0.00 31.44 26.24 1x5k n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1x5k s LEU 86 N -5.54 2.98 0.43 -4.62 1.43 -1.26 -5.09 118.68 107.01 1x5k s LEU 86 Ca 0.15 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1x5k s LEU 86 Cb -0.06 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1x5k s LEU 86 CO 0.18 -1.84 0.61 -0.89 0.23 0.00 0.00 176.35 174.65 1x5k s THR 87 N -3.16 3.60 0.42 5.49 2.01 -1.26 -4.76 115.64 117.98 1x5k s THR 87 Ca 0.66 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1x5k s THR 87 Cb -0.06 -3.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 1x5k s THR 87 CO 0.44 -0.16 0.07 -0.76 -0.69 0.00 0.00 174.62 173.52 1x5k s LEU 88 N -4.45 2.89 -0.84 4.42 1.43 -1.26 -4.68 118.68 116.19 1x5k s LEU 88 Ca 0.50 -1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.23 1x5k s LEU 88 Cb -0.10 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 45.13 1x5k s LEU 88 CO 0.35 -0.53 0.22 -0.67 0.23 0.00 0.00 176.35 175.95 1x5k n ASP 89 N -1.10 -2.45 -3.78 2.29 2.03 -1.22 -4.90 116.55 107.42 1x5k n ASP 89 Ca -0.05 -0.06 -0.18 0.00 0.52 0.00 0.00 54.79 55.02 1x5k n ASP 89 Cb 0.66 -2.13 -0.17 0.00 -0.72 0.00 0.00 41.12 38.77 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 -2.56 0.11 -0.54 5.18 2.01 -1.26 -4.97 115.64 113.60 1x5k s THR 90 Ca 0.23 0.16 -0.27 0.00 0.31 0.00 0.00 61.69 62.13 1x5k s THR 90 Cb -0.13 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 1x5k s THR 90 CO 0.29 0.15 1.82 -2.16 -0.69 0.00 0.00 174.62 174.02 1x5k s PRO 91 N 1.28 2.84 -0.21 4.92 0.04 -1.26 -3.57 135.00 139.04 1x5k s PRO 91 Ca -0.06 0.81 -0.09 0.00 0.04 0.00 0.00 61.00 61.70 1x5k s PRO 91 Cb -0.13 -4.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 1x5k s PRO 91 CO -0.02 -2.47 0.10 0.71 0.04 0.00 0.00 177.00 175.36 1x5k s TYR 92 N 8.38 3.29 -0.15 0.56 1.51 -1.17 -4.80 117.35 124.98 1x5k s TYR 92 Ca 0.70 0.14 -0.09 0.00 -1.01 0.00 0.00 57.07 56.80 1x5k s TYR 92 Cb -0.15 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.50 1x5k s TYR 92 CO 0.24 0.13 0.17 0.71 -1.11 0.00 0.00 175.55 175.69 1x5k s TYR 93 N 0.63 3.52 0.07 2.71 1.51 -1.21 -2.64 117.35 121.94 1x5k s TYR 93 Ca 0.06 0.49 0.09 0.00 -1.01 0.00 0.00 57.07 56.69 1x5k s TYR 93 Cb -0.13 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 1x5k s TYR 93 CO 0.01 0.51 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.67 1x5k s PHE 94 N -0.36 2.00 -0.04 2.71 0.40 -1.02 -3.01 117.98 118.67 1x5k s PHE 94 Ca 0.13 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1x5k s PHE 94 Cb -0.12 -1.15 0.03 0.00 0.51 0.00 0.00 43.02 42.28 1x5k s PHE 94 CO 0.02 0.17 -0.01 0.15 0.70 0.00 0.00 175.22 176.25 1x5k s LYS 95 N -1.52 0.50 0.18 0.44 1.02 0.71 -1.23 119.74 119.83 1x5k s LYS 95 Ca 0.09 0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 1x5k s LYS 95 Cb -0.10 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 1x5k s LYS 95 CO 0.03 -0.14 0.36 0.42 -0.92 0.00 0.00 175.35 175.10 1x5k s ILE 96 N 1.11 5.23 -0.17 2.17 1.01 -1.26 -0.80 121.20 128.50 1x5k s ILE 96 Ca -0.08 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1x5k s ILE 96 Cb -0.14 -3.72 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1x5k s ILE 96 CO -0.01 -0.12 0.43 -1.58 0.00 0.00 0.00 174.94 173.66 1x5k s GLN 97 N -3.19 0.48 0.07 2.79 0.74 -0.44 -0.55 119.66 119.56 1x5k s GLN 97 Ca 0.38 0.66 0.00 0.00 0.05 0.00 0.00 55.36 56.45 1x5k s GLN 97 Cb -0.11 0.18 -0.04 0.00 1.10 0.00 0.00 33.01 34.14 1x5k s GLN 97 CO 0.28 -0.09 0.20 0.00 -0.55 0.00 0.00 175.29 175.14 1x5k s ALA 98 N 0.55 3.97 -0.08 1.58 0.00 -1.26 -1.20 121.76 125.31 1x5k s ALA 98 Ca -0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1x5k s ALA 98 Cb -0.04 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.31 1x5k s ALA 98 CO -0.03 0.80 0.22 0.50 0.00 0.00 0.00 175.76 177.25 1x5k s ARG 99 N -2.55 0.25 0.42 0.00 3.52 -0.83 -1.42 118.95 118.34 1x5k s ARG 99 Ca 0.34 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 1x5k s ARG 99 Cb -0.13 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 1x5k s ARG 99 CO 0.27 -0.05 0.04 0.27 -0.81 0.00 0.00 175.30 175.03 1x5k n ASN 100 N 3.12 3.08 -0.51 -2.12 0.23 0.13 -1.48 115.26 117.70 1x5k n ASN 100 Ca -0.14 -2.80 0.42 0.00 -0.53 0.00 0.00 54.58 51.53 1x5k n ASN 100 Cb 0.58 0.26 0.73 0.00 -2.08 0.00 0.00 39.78 39.27 1x5k n ASN 100 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1x5k h SER 101 N 0.95 0.10 0.00 0.53 0.02 -1.91 -2.06 113.55 111.18 1x5k h SER 101 Ca -0.34 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1x5k h SER 101 Cb 1.05 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1x5k h SER 101 CO 0.56 -0.05 0.00 0.29 -1.14 0.00 0.00 176.83 176.49 1x5k n LYS 102 N -4.28 0.00 0.00 3.45 4.76 -1.26 -5.08 118.16 115.75 1x5k n LYS 102 Ca 0.37 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 1x5k n LYS 102 Cb 1.58 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 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 1.22 2.30 3.75 0.72 0.00 -0.78 -5.10 105.19 107.30 1x5k n GLY 103 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 1.65 2.61 0.00 1.61 -1.94 -1.26 0.19 119.30 122.16 1x5k s MET 104 Ca 0.00 -1.26 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 1x5k s MET 104 Cb 0.00 -2.36 0.00 0.00 2.01 0.00 0.00 34.83 34.48 1x5k s MET 104 CO 0.00 0.34 0.00 0.41 -0.01 0.00 0.00 175.02 175.76 1x5k n GLY 105 N -1.07 4.38 3.77 -0.03 0.00 -0.51 -4.83 105.19 106.90 1x5k n GLY 105 Ca -0.06 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 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 1.81 4.28 0.37 1.61 0.04 -1.25 -4.82 135.00 137.03 1x5k s PRO 106 Ca 0.00 1.98 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 1x5k s PRO 106 Cb 0.00 -2.92 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 1x5k s PRO 106 CO 0.00 -0.17 1.07 -1.64 0.04 0.00 0.00 177.00 176.30 1x5k s MET 107 N -1.94 4.28 1.18 4.56 -1.94 -1.26 -4.45 119.30 119.72 1x5k s MET 107 Ca 0.52 1.62 -0.17 0.00 -1.71 0.00 0.00 55.69 55.95 1x5k s MET 107 Cb -0.34 -2.73 0.28 0.00 2.01 0.00 0.00 34.83 34.04 1x5k s MET 107 CO 0.45 -0.06 1.06 -1.54 -0.01 0.00 0.00 175.02 174.91 1x5k s SER 108 N -1.34 1.00 0.56 3.03 1.04 0.29 -4.94 113.70 113.35 1x5k s SER 108 Ca 0.54 0.99 -0.19 0.00 0.48 0.00 0.00 55.95 57.77 1x5k s SER 108 Cb -0.25 -1.49 -0.05 0.00 0.10 0.00 0.00 66.02 64.33 1x5k s SER 108 CO 0.32 -4.11 1.13 -1.83 0.98 0.00 0.00 173.24 169.73 1x5k s GLU 109 N -5.03 3.26 -0.33 4.02 -1.05 -1.26 -4.68 118.70 113.63 1x5k s GLU 109 Ca 0.68 1.58 -0.28 0.00 -0.15 0.00 0.00 54.97 56.81 1x5k s GLU 109 Cb -0.16 -2.00 -0.04 0.00 -0.44 0.00 0.00 34.13 31.49 1x5k s GLU 109 CO 0.59 -0.92 2.13 0.00 0.95 0.00 0.00 175.26 178.01 1x5k s ALA 110 N -1.86 2.50 -0.68 -0.84 0.00 -1.26 -4.64 121.76 114.97 1x5k s ALA 110 Ca 0.72 0.40 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 1x5k s ALA 110 Cb -0.23 -4.13 0.05 0.00 0.00 0.00 0.00 23.12 18.80 1x5k s ALA 110 CO 0.29 -3.17 1.12 0.08 0.00 0.00 0.00 175.76 174.08 1x5k s VAL 111 N 8.83 4.03 -0.35 0.00 1.01 -0.37 -4.86 120.40 128.69 1x5k s VAL 111 Ca 0.93 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 1x5k s VAL 111 Cb -0.26 -4.78 0.01 0.00 0.00 0.00 0.00 36.38 31.35 1x5k s VAL 111 CO 0.32 -1.60 1.27 -1.58 0.00 0.00 0.00 175.10 173.51 1x5k s GLN 112 N 4.88 3.84 -0.14 2.72 0.74 -1.26 -2.42 119.66 128.02 1x5k s GLN 112 Ca 0.30 1.08 -0.01 0.00 0.05 0.00 0.00 55.36 56.77 1x5k s GLN 112 Cb -0.12 -3.89 0.04 0.00 1.10 0.00 0.00 33.01 30.14 1x5k s GLN 112 CO 0.14 -1.21 -0.01 0.12 -0.55 0.00 0.00 175.29 173.78 1x5k s PHE 113 N 4.50 1.13 0.19 1.67 5.36 -1.08 -5.03 117.98 124.72 1x5k s PHE 113 Ca 0.55 -0.68 -0.30 0.00 -0.96 0.00 0.00 56.93 55.53 1x5k s PHE 113 Cb -0.14 -1.05 -0.08 0.00 -0.34 0.00 0.00 43.02 41.41 1x5k s PHE 113 CO 0.25 -0.51 1.16 0.50 -1.46 0.00 0.00 175.22 175.16 1x5k s ARG 114 N 1.82 4.53 0.36 10.12 3.52 -1.26 -3.05 118.95 135.00 1x5k s ARG 114 Ca 0.02 1.82 -0.24 0.00 -0.13 0.00 0.00 55.73 57.21 1x5k s ARG 114 Cb -0.15 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 29.90 1x5k s ARG 114 CO -0.07 -0.02 0.94 0.95 -0.81 0.00 0.00 175.30 176.29 1x5k s THR 115 N -0.20 4.29 0.00 4.11 -4.23 -1.23 -5.00 115.64 113.38 1x5k s THR 115 Ca 0.51 1.67 0.00 0.00 -1.18 0.00 0.00 61.69 62.69 1x5k s THR 115 Cb -0.32 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.68 1x5k s THR 115 CO 0.37 -0.04 0.00 -0.81 -0.54 0.00 0.00 174.62 173.60 1x5k n PRO 116 N 0.09 0.18 -4.12 3.99 -0.04 -1.26 -3.54 135.00 130.31 1x5k n PRO 116 Ca 0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1x5k n PRO 116 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.21 0.69 -0.15 0.54 -0.14 -1.26 -3.39 119.74 114.81 1x5k s LYS 117 Ca 0.00 -1.23 -0.13 0.00 -1.36 0.00 0.00 55.97 53.25 1x5k s LYS 117 Cb 0.00 0.02 -0.10 0.00 -1.68 0.00 0.00 37.83 36.07 1x5k s LYS 117 CO 0.00 -0.06 0.07 0.00 -0.76 0.00 0.00 175.35 174.60 1x5k h ALA 118 N 3.18 0.07 -2.47 5.17 0.00 -1.99 -3.46 119.26 119.77 1x5k h ALA 118 Ca -0.35 -0.61 -0.53 0.00 0.00 0.00 0.00 54.91 53.42 1x5k h ALA 118 Cb 1.16 0.42 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1x5k h ALA 118 CO 0.64 0.41 0.80 -1.12 0.00 0.00 0.00 179.25 179.98 1x5k s SER 119 N -6.07 6.80 0.00 0.00 0.01 -1.26 -4.91 113.70 108.27 1x5k s SER 119 Ca -0.16 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.37 1x5k s SER 119 Cb 0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1x5k s SER 119 CO 0.34 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1x5k n GLY 120 N 3.62 -1.04 3.56 3.44 0.00 -1.26 -5.08 105.19 108.43 1x5k n GLY 120 Ca 0.13 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.95 2.59 -0.55 1.61 0.04 -1.26 -4.91 135.00 131.56 1x5k s PRO 121 Ca 0.00 0.14 0.04 0.00 0.04 0.00 0.00 61.00 61.23 1x5k s PRO 121 Cb 0.00 -4.74 0.14 0.00 0.04 0.00 0.00 34.50 29.94 1x5k s PRO 121 CO 0.00 -3.07 0.30 0.45 0.04 0.00 0.00 177.00 174.72 1x5k s SER 122 N 8.09 4.39 -0.07 6.66 0.15 -1.26 -5.06 113.70 126.59 1x5k s SER 122 Ca 0.69 -3.16 0.00 0.00 0.70 0.00 0.00 55.95 54.18 1x5k s SER 122 Cb -0.10 -1.63 0.02 0.00 -1.71 0.00 0.00 66.02 62.61 1x5k s SER 122 CO 0.10 -0.20 -0.05 -0.55 1.20 0.00 0.00 173.24 173.73 1x5k s SER 123 N -0.49 1.50 0.00 5.45 0.15 -1.26 -5.27 113.70 113.78 1x5k s SER 123 Ca 0.18 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1x5k s SER 123 Cb -0.22 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1x5k s SER 123 CO -0.03 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.92