#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 -0.14 1.02 1.61 1.04 -1.26 -5.16 113.70 110.81 1x5k s SER 2 Ca 0.00 -0.48 -0.15 0.00 0.48 0.00 0.00 55.95 55.80 1x5k s SER 2 Cb 0.00 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.69 1x5k s SER 2 CO 0.00 -0.96 0.22 -1.20 0.98 0.00 0.00 173.24 172.28 1x5k n SER 3 N -0.62 -2.27 -3.29 7.02 7.64 -1.26 -5.03 113.62 115.81 1x5k n SER 3 Ca -0.06 0.15 -0.06 0.00 1.01 0.00 0.00 58.87 59.91 1x5k n SER 3 Cb 0.60 -1.10 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 1x5k n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5k s GLY 4 N -1.93 -0.59 -0.28 0.23 0.00 -1.26 -5.13 107.32 98.37 1x5k s GLY 4 Ca 0.56 1.01 -0.07 0.00 0.00 0.00 0.00 44.72 46.23 1x5k s GLY 4 CO 0.67 2.91 0.07 -0.56 0.00 0.00 0.00 173.10 176.19 1x5k s SER 5 N 2.62 5.10 -0.23 1.64 0.01 -1.26 -5.06 113.70 116.52 1x5k s SER 5 Ca 0.14 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 56.81 1x5k s SER 5 Cb -0.15 -1.90 0.10 0.00 0.21 0.00 0.00 66.02 64.29 1x5k s SER 5 CO -0.19 -0.13 0.50 -0.55 0.41 0.00 0.00 173.24 173.28 1x5k s SER 6 N 1.55 -0.59 0.00 2.44 0.15 -1.26 -5.14 113.70 110.85 1x5k s SER 6 Ca 0.04 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1x5k s SER 6 Cb -0.16 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.78 1x5k s SER 6 CO 0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1x5k n GLY 7 N 5.31 4.36 3.30 9.45 0.00 -1.26 -5.08 105.19 121.27 1x5k n GLY 7 Ca -0.11 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.80 4.24 -0.08 2.61 -4.23 -1.26 -5.05 115.64 111.06 1x5k s THR 8 Ca 0.00 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1x5k s THR 8 Cb 0.00 -3.49 0.04 0.00 1.34 0.00 0.00 72.50 70.39 1x5k s THR 8 CO 0.00 -0.37 0.18 0.00 -0.54 0.00 0.00 174.62 173.89 1x5k s ALA 9 N 1.46 -0.34 0.29 3.99 0.00 -1.26 -5.02 121.76 120.88 1x5k s ALA 9 Ca 0.02 0.76 0.17 0.00 0.00 0.00 0.00 51.96 52.91 1x5k s ALA 9 Cb -0.21 -0.55 1.06 0.00 0.00 0.00 0.00 23.12 23.42 1x5k s ALA 9 CO 0.04 -0.21 1.24 -2.39 0.00 0.00 0.00 175.76 174.43 1x5k n HIS 10 N 4.33 0.90 -0.56 0.00 -0.00 -1.26 -4.77 115.22 113.86 1x5k n HIS 10 Ca -0.24 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.39 1x5k n HIS 10 Cb 0.52 -1.33 0.00 0.00 -0.00 0.00 0.00 29.99 29.18 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 -1.21 -1.94 3.51 -1.39 0.00 -1.26 -5.10 105.19 97.80 1x5k n GLY 11 Ca 0.30 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.16 4.78 -2.04 2.61 -4.23 -1.26 -4.90 115.64 108.44 1x5k s THR 12 Ca 0.00 0.08 0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1x5k s THR 12 Cb 0.00 -4.26 0.28 0.00 1.34 0.00 0.00 72.50 69.87 1x5k s THR 12 CO 0.00 -0.68 1.35 0.35 -0.54 0.00 0.00 174.62 175.10 1x5k n THR 13 N 5.88 0.10 -4.01 3.99 -2.24 -1.26 -4.84 114.28 111.90 1x5k n THR 13 Ca -0.02 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 1x5k n THR 13 Cb 0.47 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 1x5k n THR 13 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1x5k s PHE 14 N -1.90 3.04 0.33 4.78 -0.12 -1.26 -5.14 117.98 117.71 1x5k s PHE 14 Ca 0.17 -0.17 0.10 0.00 -0.05 0.00 0.00 56.93 56.98 1x5k s PHE 14 Cb 0.08 -1.53 -0.06 0.00 -0.63 0.00 0.00 43.02 40.88 1x5k s PHE 14 CO 0.13 0.41 -0.11 -2.00 -0.05 0.00 0.00 175.22 173.60 1x5k s GLU 15 N -3.90 1.82 -0.21 1.99 2.56 -1.26 -5.10 118.70 114.60 1x5k s GLU 15 Ca 0.36 -1.87 -0.01 0.00 0.00 0.00 0.00 54.97 53.45 1x5k s GLU 15 Cb -0.07 -1.75 0.06 0.00 2.00 0.00 0.00 34.13 34.36 1x5k s GLU 15 CO 0.26 0.19 -0.02 -0.51 -0.56 0.00 0.00 175.26 174.62 1x5k s LEU 16 N -3.60 1.94 0.64 2.70 1.43 -1.26 -5.06 118.68 115.47 1x5k s LEU 16 Ca 0.32 -1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 1x5k s LEU 16 Cb 0.00 -0.92 -0.10 0.00 0.03 0.00 0.00 46.19 45.20 1x5k s LEU 16 CO 0.16 -0.26 0.15 1.33 0.23 0.00 0.00 176.35 177.97 1x5k n VAL 17 N 4.84 1.07 -2.08 -1.59 0.24 -1.26 -3.83 118.33 115.72 1x5k n VAL 17 Ca -0.11 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.30 1x5k n VAL 17 Cb 0.46 -0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 32.41 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 -1.90 3.29 -0.04 7.34 0.04 -1.26 -4.85 135.00 137.61 1x5k s PRO 18 Ca 0.60 1.21 0.09 0.00 0.04 0.00 0.00 61.00 62.94 1x5k s PRO 18 Cb -0.41 -4.19 0.33 0.00 0.04 0.00 0.00 34.50 30.28 1x5k s PRO 18 CO 0.63 -1.91 1.18 0.25 0.04 0.00 0.00 177.00 177.18 1x5k n THR 19 N 7.31 0.76 -4.84 1.26 -2.24 -1.26 -3.84 114.28 111.44 1x5k n THR 19 Ca 0.21 -0.52 -0.25 0.00 -2.27 0.00 0.00 64.05 61.22 1x5k n THR 19 Cb 0.48 -0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.53 1x5k n THR 19 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5k s SER 20 N -0.75 2.09 0.99 3.42 1.04 -1.26 -4.74 113.70 114.49 1x5k s SER 20 Ca 0.23 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 1x5k s SER 20 Cb 0.15 -0.35 0.19 0.00 0.10 0.00 0.00 66.02 66.11 1x5k s SER 20 CO 0.12 0.20 1.09 -2.16 0.98 0.00 0.00 173.24 173.47 1x5k s PRO 21 N -0.27 0.46 0.95 4.02 0.04 -1.26 -4.74 135.00 134.20 1x5k s PRO 21 Ca 0.03 0.54 -0.16 0.00 0.04 0.00 0.00 61.00 61.45 1x5k s PRO 21 Cb -0.08 -1.74 0.24 0.00 0.04 0.00 0.00 34.50 32.95 1x5k s PRO 21 CO 0.00 -2.72 0.84 -0.35 0.04 0.00 0.00 177.00 174.82 1x5k n PRO 22 N -4.17 -2.66 -4.09 0.56 -0.04 -1.26 -4.50 135.00 118.84 1x5k n PRO 22 Ca 0.05 -1.34 -0.11 0.00 -0.04 0.00 0.00 63.50 62.05 1x5k n PRO 22 Cb 0.57 -1.26 -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 -4.91 1.51 -1.33 0.54 1.02 -0.30 -4.92 119.74 111.35 1x5k s LYS 23 Ca 0.55 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.93 1x5k s LYS 23 Cb -0.05 0.40 0.01 0.00 -0.52 0.00 0.00 37.83 37.66 1x5k s LYS 23 CO 0.42 -0.59 0.48 -0.25 -0.92 0.00 0.00 175.35 174.49 1x5k n ASP 24 N -0.58 -1.91 -4.58 2.83 9.92 -1.26 -1.34 116.55 119.64 1x5k n ASP 24 Ca 0.00 -1.10 -0.43 0.00 -0.53 0.00 0.00 54.79 52.74 1x5k n ASP 24 Cb 0.63 -2.68 -0.04 0.00 -0.64 0.00 0.00 41.12 38.39 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5k s VAL 25 N -3.84 4.58 0.08 2.53 1.01 -1.26 -3.96 120.40 119.54 1x5k s VAL 25 Ca 0.19 0.89 0.07 0.00 0.00 0.00 0.00 61.98 63.14 1x5k s VAL 25 Cb -0.08 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1x5k s VAL 25 CO 0.91 -0.64 -0.19 0.42 0.00 0.00 0.00 175.10 175.60 1x5k s THR 26 N 3.49 1.55 -0.12 3.92 -4.23 0.74 -5.02 115.64 115.97 1x5k s THR 26 Ca 0.36 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1x5k s THR 26 Cb -0.11 -1.41 0.03 0.00 1.34 0.00 0.00 72.50 72.35 1x5k s THR 26 CO 0.22 -0.03 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.55 1x5k s VAL 27 N -1.09 0.66 0.46 2.29 1.01 -1.26 -0.80 120.40 121.67 1x5k s VAL 27 Ca 0.05 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1x5k s VAL 27 Cb -0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1x5k s VAL 27 CO 0.03 0.19 0.01 0.68 0.00 0.00 0.00 175.10 176.01 1x5k s VAL 28 N 1.84 1.49 0.07 2.92 -7.23 -0.58 -5.00 120.40 113.93 1x5k s VAL 28 Ca 0.03 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.30 1x5k s VAL 28 Cb -0.14 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1x5k s VAL 28 CO -0.07 0.00 -0.27 -0.55 -0.31 0.00 0.00 175.10 173.91 1x5k s SER 29 N -3.78 3.21 0.78 4.85 0.15 -1.26 -1.06 113.70 116.58 1x5k s SER 29 Ca 0.20 -0.64 -0.14 0.00 0.70 0.00 0.00 55.95 56.06 1x5k s SER 29 Cb 0.05 -0.26 0.05 0.00 -1.71 0.00 0.00 66.02 64.15 1x5k s SER 29 CO 0.10 0.23 1.06 1.17 1.20 0.00 0.00 173.24 177.00 1x5k n LYS 30 N 1.48 0.32 0.00 5.44 3.00 -1.03 -4.89 118.16 122.49 1x5k n LYS 30 Ca -0.17 0.18 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1x5k n LYS 30 Cb 0.52 -2.32 0.39 0.00 0.00 0.00 0.00 35.03 33.62 1x5k n LYS 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1x5k n GLU 31 N -2.54 0.48 0.00 1.64 2.13 -1.26 -4.00 120.64 117.09 1x5k n GLU 31 Ca 0.13 -0.25 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1x5k n GLU 31 Cb 0.50 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1x5k n GLU 31 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x5k n GLY 32 N 1.39 -1.35 2.98 8.31 0.00 -1.26 -5.01 105.19 110.25 1x5k n GLY 32 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.22 0.43 0.12 1.61 2.47 -1.26 -5.03 119.74 117.87 1x5k s LYS 33 Ca 0.00 0.46 -0.13 0.00 -1.56 0.00 0.00 55.97 54.74 1x5k s LYS 33 Cb 0.00 -0.16 -0.06 0.00 -1.46 0.00 0.00 37.83 36.14 1x5k s LYS 33 CO 0.00 -0.84 1.45 -1.00 0.16 0.00 0.00 175.35 175.12 1x5k h PRO 34 N 8.12 0.82 0.00 4.03 0.13 -1.89 -2.81 132.00 140.40 1x5k h PRO 34 Ca -0.14 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1x5k h PRO 34 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x5k h PRO 34 CO 0.25 1.07 0.00 1.63 -0.23 0.00 0.00 178.00 180.72 1x5k n LYS 35 N -4.17 0.06 -4.85 0.86 5.02 -1.26 -4.45 118.16 109.37 1x5k n LYS 35 Ca -0.03 0.27 -0.33 0.00 -2.02 0.00 0.00 58.31 56.20 1x5k n LYS 35 Cb 0.51 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 1x5k n LYS 35 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1x5k s THR 36 N -2.82 3.12 0.07 -0.18 2.01 -1.06 -2.68 115.64 114.11 1x5k s THR 36 Ca 0.07 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1x5k s THR 36 Cb 0.07 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1x5k s THR 36 CO 0.17 0.58 -0.07 0.27 -0.69 0.00 0.00 174.62 174.89 1x5k s ILE 37 N -0.55 0.60 -0.20 1.82 -4.36 -0.57 -2.46 121.20 115.47 1x5k s ILE 37 Ca 0.08 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 58.85 1x5k s ILE 37 Cb -0.12 -1.28 0.02 0.00 1.25 0.00 0.00 42.46 42.33 1x5k s ILE 37 CO 0.01 -0.71 -0.17 -0.63 0.24 0.00 0.00 174.94 173.69 1x5k s ILE 38 N -2.85 2.26 -0.48 8.37 1.09 -0.23 -2.08 121.20 127.29 1x5k s ILE 38 Ca 0.04 -0.97 -0.16 0.00 -1.10 0.00 0.00 60.65 58.45 1x5k s ILE 38 Cb 0.00 -2.01 0.07 0.00 -1.06 0.00 0.00 42.46 39.46 1x5k s ILE 38 CO -0.03 0.45 0.44 -0.69 -0.10 0.00 0.00 174.94 175.00 1x5k s VAL 39 N 1.29 5.17 -0.22 2.92 1.01 -0.80 -1.52 120.40 128.26 1x5k s VAL 39 Ca 0.03 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1x5k s VAL 39 Cb -0.14 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1x5k s VAL 39 CO -0.11 -0.62 0.25 0.20 0.00 0.00 0.00 175.10 174.83 1x5k s ASN 40 N 2.62 6.26 0.28 3.32 0.01 0.02 -2.11 114.94 125.35 1x5k s ASN 40 Ca 0.06 0.29 0.04 0.00 -0.71 0.00 0.00 52.86 52.55 1x5k s ASN 40 Cb -0.23 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 1x5k s ASN 40 CO 0.08 0.02 0.16 -2.67 -1.51 0.00 0.00 177.10 173.18 1x5k n TRP 41 N 4.26 -0.24 -3.82 2.20 2.14 -0.21 -0.18 117.44 121.58 1x5k n TRP 41 Ca -0.12 -2.06 -0.12 0.00 2.07 0.00 0.00 57.50 57.26 1x5k n TRP 41 Cb 0.52 0.10 -0.12 0.00 -0.81 0.00 0.00 31.31 31.00 1x5k n TRP 41 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1x5k s GLN 42 N -3.11 0.28 0.85 -2.67 0.74 -0.45 -4.75 119.66 110.55 1x5k s GLN 42 Ca 0.23 0.09 -0.11 0.00 0.05 0.00 0.00 55.36 55.61 1x5k s GLN 42 Cb 0.01 0.13 0.10 0.00 1.10 0.00 0.00 33.01 34.35 1x5k s GLN 42 CO 0.16 -0.05 1.09 -1.25 -0.55 0.00 0.00 175.29 174.69 1x5k s PRO 43 N -0.28 1.63 0.71 1.67 0.04 -1.26 -1.15 135.00 136.35 1x5k s PRO 43 Ca -0.04 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 61.83 1x5k s PRO 43 Cb -0.03 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1x5k s PRO 43 CO 0.01 -2.02 1.10 -1.25 0.04 0.00 0.00 177.00 174.88 1x5k s PRO 44 N -4.92 2.56 -0.01 0.56 0.04 -1.26 -4.59 135.00 127.38 1x5k s PRO 44 Ca 0.63 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1x5k s PRO 44 Cb -0.18 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.48 1x5k s PRO 44 CO 0.57 -1.42 0.82 0.43 0.04 0.00 0.00 177.00 177.43 1x5k n SER 45 N -2.91 0.76 -0.06 6.66 7.64 -1.26 -3.71 113.62 120.75 1x5k n SER 45 Ca 0.10 -2.03 -0.12 0.00 1.01 0.00 0.00 58.87 57.83 1x5k n SER 45 Cb 0.52 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 1x5k n SER 45 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x5k n GLU 46 N -0.17 0.28 -3.70 1.43 1.02 -1.26 -4.99 120.64 113.25 1x5k n GLU 46 Ca 0.02 0.12 -0.26 0.00 -0.02 0.00 0.00 57.16 57.02 1x5k n GLU 46 Cb 0.17 -0.97 -0.06 0.00 -0.02 0.00 0.00 31.44 30.56 1x5k n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5k n ALA 47 N -3.68 -1.29 -0.56 0.62 0.00 -1.24 -4.62 120.51 109.73 1x5k n ALA 47 Ca -0.22 -0.22 0.42 0.00 0.00 0.00 0.00 53.44 53.42 1x5k n ALA 47 Cb 0.59 -1.14 0.66 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.71 0.02 -4.28 0.00 3.02 -1.26 -4.36 115.26 106.70 1x5k n ASN 48 Ca -0.08 0.86 -0.15 0.00 -0.03 0.00 0.00 54.58 55.18 1x5k n ASN 48 Cb 0.40 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 39.04 1x5k n ASN 48 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1x5k s GLY 49 N -3.75 1.34 -0.12 7.41 0.00 -1.25 -4.56 107.32 106.39 1x5k s GLY 49 Ca -0.04 -1.65 -0.29 0.00 0.00 0.00 0.00 44.72 42.74 1x5k s GLY 49 CO 0.72 -1.60 1.95 1.25 0.00 0.00 0.00 173.10 175.43 1x5k s LYS 50 N -3.86 3.71 -0.20 2.90 2.20 -1.26 -4.92 119.74 118.31 1x5k s LYS 50 Ca 0.25 2.16 -0.29 0.00 -0.36 0.00 0.00 55.97 57.72 1x5k s LYS 50 Cb 0.05 -4.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.15 1x5k s LYS 50 CO 0.05 -1.43 1.56 0.42 -0.36 0.00 0.00 175.35 175.60 1x5k s ILE 51 N 5.93 3.77 -0.09 5.43 -1.09 -1.26 -4.26 121.20 129.63 1x5k s ILE 51 Ca 0.88 0.89 0.13 0.00 -2.23 0.00 0.00 60.65 60.32 1x5k s ILE 51 Cb -0.34 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1x5k s ILE 51 CO 0.36 -0.26 1.34 0.71 -1.23 0.00 0.00 174.94 175.85 1x5k h THR 52 N 5.99 1.02 0.00 2.92 1.35 -1.85 -3.44 112.91 118.89 1x5k h THR 52 Ca -0.33 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 1x5k h THR 52 Cb 1.15 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 1x5k h THR 52 CO 1.00 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 177.46 1x5k n GLY 53 N 1.27 -0.90 3.21 5.82 0.00 -1.18 -4.26 105.19 109.15 1x5k n GLY 53 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.00 -0.05 0.05 1.61 1.51 -1.23 -2.90 117.35 113.34 1x5k s TYR 54 Ca 0.00 -0.07 0.09 0.00 -1.01 0.00 0.00 57.07 56.09 1x5k s TYR 54 Cb 0.00 0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.86 1x5k s TYR 54 CO 0.00 -0.43 -0.26 0.42 -1.11 0.00 0.00 175.55 174.18 1x5k s ILE 55 N -2.16 2.22 -0.07 2.71 1.01 -1.00 -0.58 121.20 123.32 1x5k s ILE 55 Ca -0.08 -1.38 0.04 0.00 0.00 0.00 0.00 60.65 59.23 1x5k s ILE 55 Cb -0.03 -1.87 -0.00 0.00 0.01 0.00 0.00 42.46 40.57 1x5k s ILE 55 CO -0.01 0.36 -0.20 -0.63 0.00 0.00 0.00 174.94 174.45 1x5k s ILE 56 N -0.83 1.68 -0.25 2.92 1.01 -0.43 -2.42 121.20 122.89 1x5k s ILE 56 Ca 0.12 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1x5k s ILE 56 Cb -0.10 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1x5k s ILE 56 CO 0.02 0.48 -0.09 -0.31 0.00 0.00 0.00 174.94 175.05 1x5k s TYR 57 N 0.18 3.08 0.04 3.97 1.51 -0.26 -0.22 117.35 125.66 1x5k s TYR 57 Ca -0.10 -1.75 0.09 0.00 -1.01 0.00 0.00 57.07 54.30 1x5k s TYR 57 Cb -0.14 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1x5k s TYR 57 CO 0.05 -0.78 -0.25 1.52 -1.11 0.00 0.00 175.55 174.98 1x5k s TYR 58 N 1.27 2.17 -0.18 2.71 -0.85 -1.25 -1.57 117.35 119.64 1x5k s TYR 58 Ca -0.01 -0.40 -0.29 0.00 -0.52 0.00 0.00 57.07 55.84 1x5k s TYR 58 Cb -0.17 -1.31 0.13 0.00 0.38 0.00 0.00 41.96 40.99 1x5k s TYR 58 CO -0.05 0.10 1.03 -1.12 -1.52 0.00 0.00 175.55 173.98 1x5k s SER 59 N -1.16 -0.36 0.51 -0.18 0.01 -1.10 -3.27 113.70 108.14 1x5k s SER 59 Ca 0.10 0.44 0.24 0.00 1.31 0.00 0.00 55.95 58.05 1x5k s SER 59 Cb -0.10 0.36 1.35 0.00 0.21 0.00 0.00 66.02 67.85 1x5k s SER 59 CO 0.02 -0.30 2.06 0.71 0.41 0.00 0.00 173.24 176.14 1x5k h THR 60 N 2.68 0.71 -3.15 1.44 1.35 -1.89 -3.13 112.91 110.92 1x5k h THR 60 Ca -0.19 -0.54 -0.59 0.00 -0.55 0.00 0.00 66.41 64.54 1x5k h THR 60 Cb 1.17 1.33 -0.05 0.00 -1.73 0.00 0.00 68.15 68.86 1x5k h THR 60 CO 0.28 0.13 -0.13 -1.81 -0.25 0.00 0.00 175.52 173.74 1x5k s ASP 61 N -6.36 6.89 -0.00 5.36 1.11 -1.26 -4.81 116.67 117.59 1x5k s ASP 61 Ca -0.03 1.05 0.21 0.00 0.18 0.00 0.00 52.55 53.96 1x5k s ASP 61 Cb 0.14 -2.30 -0.22 0.00 1.07 0.00 0.00 42.92 41.61 1x5k s ASP 61 CO 0.61 0.25 0.86 0.55 1.18 0.00 0.00 175.17 178.62 1x5k n VAL 62 N 2.11 0.00 -0.02 -1.27 3.14 -1.26 -4.33 118.33 116.70 1x5k n VAL 62 Ca -0.11 -0.07 0.03 0.00 -2.96 0.00 0.00 64.34 61.22 1x5k n VAL 62 Cb 0.52 0.83 -0.08 0.00 -1.06 0.00 0.00 33.84 34.05 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 -1.61 2.52 -4.52 6.55 0.23 -1.26 -5.02 115.26 112.15 1x5k n ASN 63 Ca 0.03 0.00 -0.51 0.00 -0.53 0.00 0.00 54.58 53.57 1x5k n ASN 63 Cb 0.36 1.29 -0.05 0.00 -2.08 0.00 0.00 39.78 39.31 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 -2.01 -2.02 -1.61 -2.53 0.00 -1.26 -4.74 120.51 106.33 1x5k n ALA 64 Ca -0.06 0.49 -0.54 0.00 0.00 0.00 0.00 53.44 53.33 1x5k n ALA 64 Cb 0.43 -1.86 -0.06 0.00 0.00 0.00 0.00 19.45 17.95 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 1.50 1.05 -0.23 0.00 4.71 -1.26 -4.72 120.64 121.69 1x5k n GLU 65 Ca 0.17 0.38 0.29 0.00 -0.01 0.00 0.00 57.16 57.99 1x5k n GLU 65 Cb 0.20 -2.02 0.48 0.00 -1.01 0.00 0.00 31.44 29.09 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 3.76 0.02 -0.25 -3.67 6.09 -1.96 1.30 117.51 122.79 1x5k h ILE 66 Ca -0.48 0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 62.91 1x5k h ILE 66 Cb 1.34 0.04 -0.00 0.00 0.47 0.00 0.00 36.82 38.67 1x5k h ILE 66 CO 0.81 0.00 -0.25 1.12 -3.07 0.00 0.00 178.15 176.77 1x5k h HIS 67 N 0.00 0.74 -0.03 2.19 2.07 -2.00 -3.00 115.15 115.12 1x5k h HIS 67 Ca 0.50 -0.22 -0.01 0.00 -2.85 0.00 0.00 60.37 57.80 1x5k h HIS 67 Cb 2.88 -0.16 -0.00 0.00 2.57 0.00 0.00 27.41 32.70 1x5k h HIS 67 CO 0.00 0.93 -0.02 0.22 -3.07 0.00 0.00 177.93 175.99 1x5k h ASP 68 N 0.33 0.03 -4.18 3.10 3.58 0.14 -3.43 116.42 115.99 1x5k h ASP 68 Ca 0.04 -0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.95 1x5k h ASP 68 Cb 0.80 -0.01 0.17 0.00 1.72 0.00 0.00 39.33 42.02 1x5k h ASP 68 CO 0.06 0.06 0.39 0.26 -2.88 0.00 0.00 179.24 177.13 1x5k s TRP 69 N -5.02 1.91 0.52 0.28 0.52 -1.14 -4.99 118.94 111.02 1x5k s TRP 69 Ca -0.05 1.62 -0.14 0.00 0.02 0.00 0.00 56.10 57.54 1x5k s TRP 69 Cb 0.17 -3.53 -0.07 0.00 -1.15 0.00 0.00 33.47 28.89 1x5k s TRP 69 CO 0.68 -2.82 0.96 0.54 0.02 0.00 0.00 176.95 176.33 1x5k s VAL 70 N -1.95 4.61 -0.32 4.03 0.11 -1.20 -4.97 120.40 120.71 1x5k s VAL 70 Ca 0.75 1.05 -0.06 0.00 -2.93 0.00 0.00 61.98 60.79 1x5k s VAL 70 Cb -0.31 -3.75 0.03 0.00 -1.53 0.00 0.00 36.38 30.82 1x5k s VAL 70 CO 0.47 -0.75 0.09 -0.63 -3.33 0.00 0.00 175.10 170.95 1x5k s ILE 71 N -2.69 3.77 -0.80 7.04 1.01 -1.26 -3.81 121.20 124.46 1x5k s ILE 71 Ca 0.57 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1x5k s ILE 71 Cb -0.10 -3.07 0.20 0.00 0.01 0.00 0.00 42.46 39.50 1x5k s ILE 71 CO 0.36 -0.08 0.68 -1.61 0.00 0.00 0.00 174.94 174.28 1x5k s GLU 72 N 1.42 3.18 0.12 2.79 0.41 0.69 -4.96 118.70 122.35 1x5k s GLU 72 Ca -0.00 -2.79 -0.31 0.00 -0.41 0.00 0.00 54.97 51.46 1x5k s GLU 72 Cb -0.19 -4.05 -0.08 0.00 -1.78 0.00 0.00 34.13 28.04 1x5k s GLU 72 CO 0.02 -1.23 1.36 -1.25 -0.49 0.00 0.00 175.26 173.67 1x5k s PRO 73 N -0.48 4.34 -0.51 0.39 0.04 -1.26 -1.32 135.00 136.20 1x5k s PRO 73 Ca 0.21 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.20 1x5k s PRO 73 Cb -0.13 -3.25 0.13 0.00 0.04 0.00 0.00 34.50 31.28 1x5k s PRO 73 CO -0.08 -0.39 0.38 0.08 0.04 0.00 0.00 177.00 177.03 1x5k s VAL 74 N 0.99 4.22 1.10 -0.36 1.01 0.25 -4.98 120.40 122.63 1x5k s VAL 74 Ca 0.63 -1.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.48 1x5k s VAL 74 Cb -0.36 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.37 1x5k s VAL 74 CO 0.31 -0.80 0.23 1.33 0.00 0.00 0.00 175.10 176.17 1x5k n VAL 75 N 4.69 0.00 -1.86 2.92 0.24 -1.26 -3.48 118.33 119.57 1x5k n VAL 75 Ca -0.05 -0.30 0.06 0.00 -2.04 0.00 0.00 64.34 62.02 1x5k n VAL 75 Cb 0.41 -0.67 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 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 1.76 -0.83 1.35 7.63 0.00 -1.26 -3.53 105.19 110.32 1x5k n GLY 76 Ca 0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.91 3.18 -4.61 1.61 6.94 -1.26 -4.18 115.26 113.03 1x5k n ASN 77 Ca 0.00 -2.56 -0.41 0.00 -0.02 0.00 0.00 54.58 51.60 1x5k n ASN 77 Cb 0.20 -0.62 0.02 0.00 -2.36 0.00 0.00 39.78 37.02 1x5k n ASN 77 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1x5k n ARG 78 N -0.03 1.27 -0.03 -3.83 3.00 -1.23 -4.91 116.66 110.89 1x5k n ARG 78 Ca 0.20 0.46 0.05 0.00 -0.00 0.00 0.00 57.85 58.55 1x5k n ARG 78 Cb 0.86 -2.06 0.06 0.00 0.00 0.00 0.00 32.46 31.32 1x5k n ARG 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1x5k n LEU 79 N 0.28 2.00 -4.01 6.15 4.77 -1.26 -4.77 117.00 120.16 1x5k n LEU 79 Ca 0.10 -1.24 -0.11 0.00 -0.03 0.00 0.00 56.01 54.73 1x5k n LEU 79 Cb 0.41 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.34 1x5k n LEU 79 CO 0.55 0.43 -0.38 0.28 -1.33 0.00 0.00 177.39 176.94 1x5k s THR 80 N -0.81 0.31 0.15 -5.08 -1.32 -1.26 -1.04 115.64 106.58 1x5k s THR 80 Ca 0.13 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 59.73 1x5k s THR 80 Cb 0.08 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.62 1x5k s THR 80 CO 0.12 -0.42 -0.19 -2.28 -2.21 0.00 0.00 174.62 169.64 1x5k s HIS 81 N -1.36 1.78 -0.37 9.09 2.46 -0.90 -4.96 115.29 121.02 1x5k s HIS 81 Ca -0.13 -0.46 0.02 0.00 0.47 0.00 0.00 55.06 54.97 1x5k s HIS 81 Cb -0.10 -0.91 0.11 0.00 -0.13 0.00 0.00 32.58 31.55 1x5k s HIS 81 CO -0.00 0.28 0.12 -0.65 -2.47 0.00 0.00 174.74 172.02 1x5k s GLN 82 N -2.55 1.29 0.09 2.88 -0.21 -1.26 -1.90 119.66 117.99 1x5k s GLN 82 Ca 0.13 -1.77 -0.09 0.00 0.02 0.00 0.00 55.36 53.65 1x5k s GLN 82 Cb -0.07 -2.72 -0.06 0.00 1.00 0.00 0.00 33.01 31.16 1x5k s GLN 82 CO 0.06 -1.01 0.40 0.42 -2.12 0.00 0.00 175.29 173.03 1x5k s ILE 83 N 0.85 5.10 0.32 1.08 1.01 -0.88 -4.95 121.20 123.73 1x5k s ILE 83 Ca 0.13 0.39 0.05 0.00 0.00 0.00 0.00 60.65 61.22 1x5k s ILE 83 Cb -0.20 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1x5k s ILE 83 CO -0.11 0.25 0.20 0.00 0.00 0.00 0.00 174.94 175.29 1x5k s GLN 84 N -2.02 1.67 -1.17 2.79 1.03 -1.26 -1.51 119.66 119.19 1x5k s GLN 84 Ca 0.34 -1.97 -0.03 0.00 0.04 0.00 0.00 55.36 53.74 1x5k s GLN 84 Cb -0.14 0.05 -0.02 0.00 0.03 0.00 0.00 33.01 32.93 1x5k s GLN 84 CO 0.19 -0.53 0.91 0.39 -2.54 0.00 0.00 175.29 173.70 1x5k n GLU 85 N -0.61 -4.61 -4.34 9.60 -0.58 -1.19 -4.94 120.64 113.97 1x5k n GLU 85 Ca 0.03 0.79 -0.24 0.00 -0.42 0.00 0.00 57.16 57.32 1x5k n GLU 85 Cb 0.64 -5.63 -0.08 0.00 -0.57 0.00 0.00 31.44 25.79 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 -6.11 2.98 0.46 -4.62 1.43 -1.09 -5.09 118.68 106.64 1x5k s LEU 86 Ca 0.18 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 1x5k s LEU 86 Cb -0.03 -1.43 -0.08 0.00 0.03 0.00 0.00 46.19 44.68 1x5k s LEU 86 CO 0.76 -0.12 0.92 -0.89 0.23 0.00 0.00 176.35 177.25 1x5k s THR 87 N -2.46 4.56 0.44 5.49 2.01 -1.26 -4.71 115.64 119.71 1x5k s THR 87 Ca 0.33 1.15 0.08 0.00 0.31 0.00 0.00 61.69 63.56 1x5k s THR 87 Cb -0.03 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1x5k s THR 87 CO 0.19 -0.55 0.42 -0.76 -0.69 0.00 0.00 174.62 173.23 1x5k s LEU 88 N -3.77 3.34 -1.70 4.42 1.43 -1.26 -4.59 118.68 116.55 1x5k s LEU 88 Ca 0.58 -0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 52.75 1x5k s LEU 88 Cb -0.10 -2.01 0.15 0.00 0.03 0.00 0.00 46.19 44.26 1x5k s LEU 88 CO 0.27 -0.75 0.68 -0.67 0.23 0.00 0.00 176.35 176.11 1x5k n ASP 89 N -1.64 -2.54 -3.73 2.29 2.03 -1.21 -4.93 116.55 106.83 1x5k n ASP 89 Ca 0.04 -1.07 -0.12 0.00 0.52 0.00 0.00 54.79 54.17 1x5k n ASP 89 Cb 0.62 -2.53 -0.12 0.00 -0.72 0.00 0.00 41.12 38.36 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 -3.41 -0.03 -0.33 5.18 2.01 -1.26 -4.98 115.64 112.82 1x5k s THR 90 Ca 0.65 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 1x5k s THR 90 Cb -0.36 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 1x5k s THR 90 CO 0.95 0.05 1.69 -2.16 -0.69 0.00 0.00 174.62 174.45 1x5k s PRO 91 N 1.17 3.45 -0.08 4.92 0.04 -1.26 -2.95 135.00 140.30 1x5k s PRO 91 Ca -0.08 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.29 1x5k s PRO 91 Cb -0.09 -4.14 -0.03 0.00 0.04 0.00 0.00 34.50 30.28 1x5k s PRO 91 CO -0.08 -1.71 0.03 0.71 0.04 0.00 0.00 177.00 175.98 1x5k s TYR 92 N 6.33 3.23 -0.09 0.56 1.51 -0.95 -4.82 117.35 123.12 1x5k s TYR 92 Ca 0.75 0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 57.01 1x5k s TYR 92 Cb -0.21 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1x5k s TYR 92 CO 0.33 0.52 0.04 0.71 -1.11 0.00 0.00 175.55 176.04 1x5k s TYR 93 N -0.95 3.28 0.07 2.71 1.51 -1.18 -0.35 117.35 122.43 1x5k s TYR 93 Ca 0.15 0.28 0.06 0.00 -1.01 0.00 0.00 57.07 56.55 1x5k s TYR 93 Cb -0.11 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1x5k s TYR 93 CO 0.04 0.54 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.80 1x5k s PHE 94 N -0.94 1.45 -0.03 2.71 0.08 -0.74 -2.71 117.98 117.80 1x5k s PHE 94 Ca 0.14 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.77 1x5k s PHE 94 Cb -0.12 -0.82 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1x5k s PHE 94 CO 0.03 0.10 0.05 0.15 -0.10 0.00 0.00 175.22 175.46 1x5k s LYS 95 N -1.62 -0.03 0.15 0.44 1.02 -0.61 -0.59 119.74 118.50 1x5k s LYS 95 Ca 0.02 0.25 0.06 0.00 0.02 0.00 0.00 55.97 56.33 1x5k s LYS 95 Cb -0.09 -0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 36.89 1x5k s LYS 95 CO 0.03 -0.20 0.02 0.42 -0.92 0.00 0.00 175.35 174.69 1x5k s ILE 96 N 1.32 3.90 -0.22 2.17 1.01 -1.26 -1.10 121.20 127.01 1x5k s ILE 96 Ca -0.06 -1.27 -0.20 0.00 0.00 0.00 0.00 60.65 59.12 1x5k s ILE 96 Cb -0.13 -2.94 0.06 0.00 0.01 0.00 0.00 42.46 39.46 1x5k s ILE 96 CO -0.03 -0.06 0.59 -1.58 0.00 0.00 0.00 174.94 173.86 1x5k s GLN 97 N -2.82 0.68 -0.22 2.79 0.74 -1.02 -2.65 119.66 117.17 1x5k s GLN 97 Ca 0.27 0.84 -0.10 0.00 0.05 0.00 0.00 55.36 56.42 1x5k s GLN 97 Cb -0.10 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.27 1x5k s GLN 97 CO 0.19 -0.09 0.14 0.00 -0.55 0.00 0.00 175.29 174.98 1x5k s ALA 98 N 0.42 3.61 0.08 1.58 0.00 -1.26 -2.39 121.76 123.80 1x5k s ALA 98 Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1x5k s ALA 98 Cb -0.04 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1x5k s ALA 98 CO -0.01 -0.03 -0.10 -0.98 0.00 0.00 0.00 175.76 174.65 1x5k s ARG 99 N 0.74 0.76 0.37 0.00 1.70 -1.14 -2.33 118.95 119.05 1x5k s ARG 99 Ca 0.07 -1.05 0.01 0.00 -0.47 0.00 0.00 55.73 54.28 1x5k s ARG 99 Cb -0.12 -0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 33.79 1x5k s ARG 99 CO 0.02 0.07 0.02 0.09 -1.08 0.00 0.00 175.30 174.42 1x5k n ASN 100 N 0.80 2.65 -0.33 -2.89 3.02 0.58 -2.98 115.26 116.10 1x5k n ASN 100 Ca -0.18 -2.68 0.23 0.00 -0.03 0.00 0.00 54.58 51.92 1x5k n ASN 100 Cb 0.57 0.38 0.51 0.00 -0.61 0.00 0.00 39.78 40.63 1x5k n ASN 100 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x5k h SER 101 N 0.99 0.45 0.00 6.41 0.02 -1.96 -2.82 113.55 116.65 1x5k h SER 101 Ca -0.30 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1x5k h SER 101 Cb 0.96 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1x5k h SER 101 CO 0.50 0.07 0.00 0.29 -1.14 0.00 0.00 176.83 176.54 1x5k n LYS 102 N -4.66 0.00 -0.92 3.45 4.01 -1.26 -5.05 118.16 113.74 1x5k n LYS 102 Ca 0.26 0.39 0.00 0.00 -0.51 0.00 0.00 58.31 58.45 1x5k n LYS 102 Cb 0.91 -1.17 0.00 0.00 -0.51 0.00 0.00 35.03 34.26 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 0.44 2.27 3.94 0.72 0.00 -1.07 -5.10 105.19 106.40 1x5k n GLY 103 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.58 2.64 0.00 1.61 1.00 -1.26 -0.30 119.30 121.40 1x5k s MET 104 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 55.69 54.26 1x5k s MET 104 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 34.83 32.29 1x5k s MET 104 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.02 175.16 1x5k n GLY 105 N -1.71 5.11 3.77 -0.03 0.00 -0.98 -4.77 105.19 106.58 1x5k n GLY 105 Ca 0.06 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 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 2.06 3.32 -0.00 1.61 0.04 -1.26 -4.90 135.00 135.87 1x5k s PRO 106 Ca 0.00 1.60 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 1x5k s PRO 106 Cb 0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1x5k s PRO 106 CO 0.00 -0.87 0.42 -1.64 0.04 0.00 0.00 177.00 174.94 1x5k s MET 107 N -3.34 3.95 0.81 4.56 -1.94 -1.26 -4.60 119.30 117.47 1x5k s MET 107 Ca 0.72 0.43 -0.12 0.00 -1.71 0.00 0.00 55.69 55.02 1x5k s MET 107 Cb -0.24 -3.23 0.07 0.00 2.01 0.00 0.00 34.83 33.45 1x5k s MET 107 CO 0.28 0.67 1.11 -1.54 -0.01 0.00 0.00 175.02 175.53 1x5k s SER 108 N -1.02 4.47 0.81 3.03 1.04 -1.08 -5.02 113.70 115.93 1x5k s SER 108 Ca 0.24 1.15 -0.12 0.00 0.48 0.00 0.00 55.95 57.70 1x5k s SER 108 Cb -0.17 -1.84 0.08 0.00 0.10 0.00 0.00 66.02 64.20 1x5k s SER 108 CO 0.14 -1.97 1.16 -1.83 0.98 0.00 0.00 173.24 171.71 1x5k s GLU 109 N -5.26 1.74 -0.31 4.02 1.03 -1.26 -4.71 118.70 113.94 1x5k s GLU 109 Ca 0.61 1.55 -0.29 0.00 0.03 0.00 0.00 54.97 56.87 1x5k s GLU 109 Cb -0.13 -1.81 -0.01 0.00 -0.80 0.00 0.00 34.13 31.38 1x5k s GLU 109 CO 0.53 -2.10 1.59 0.00 -1.33 0.00 0.00 175.26 173.96 1x5k s ALA 110 N -2.45 3.09 -0.64 -0.84 0.00 -1.26 -4.67 121.76 115.00 1x5k s ALA 110 Ca 0.68 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.60 1x5k s ALA 110 Cb -0.24 -3.92 0.04 0.00 0.00 0.00 0.00 23.12 19.01 1x5k s ALA 110 CO 0.52 -2.26 1.08 0.08 0.00 0.00 0.00 175.76 175.18 1x5k s VAL 111 N 5.72 4.13 -0.38 0.00 1.01 0.24 -4.80 120.40 126.32 1x5k s VAL 111 Ca 0.70 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 1x5k s VAL 111 Cb -0.20 -4.72 0.01 0.00 0.00 0.00 0.00 36.38 31.47 1x5k s VAL 111 CO 0.31 -1.45 1.29 -1.58 0.00 0.00 0.00 175.10 173.66 1x5k s GLN 112 N 4.63 3.77 -0.15 2.72 0.74 -1.26 -1.78 119.66 128.32 1x5k s GLN 112 Ca 0.31 0.99 0.00 0.00 0.05 0.00 0.00 55.36 56.71 1x5k s GLN 112 Cb -0.12 -3.92 0.03 0.00 1.10 0.00 0.00 33.01 30.10 1x5k s GLN 112 CO 0.16 -1.31 -0.10 0.12 -0.55 0.00 0.00 175.29 173.62 1x5k s PHE 113 N 4.70 1.90 0.15 1.67 2.19 0.52 -4.95 117.98 124.16 1x5k s PHE 113 Ca 0.55 -1.11 -0.30 0.00 0.33 0.00 0.00 56.93 56.40 1x5k s PHE 113 Cb -0.13 -1.43 -0.08 0.00 -1.31 0.00 0.00 43.02 40.07 1x5k s PHE 113 CO 0.28 -0.63 1.24 0.50 1.83 0.00 0.00 175.22 178.44 1x5k s ARG 114 N 1.57 4.44 0.51 10.12 3.52 -1.26 -2.25 118.95 135.61 1x5k s ARG 114 Ca 0.03 1.90 -0.20 0.00 -0.13 0.00 0.00 55.73 57.34 1x5k s ARG 114 Cb -0.14 -3.26 -0.07 0.00 -1.56 0.00 0.00 34.95 29.92 1x5k s ARG 114 CO -0.09 -0.19 1.08 0.95 -0.81 0.00 0.00 175.30 176.23 1x5k s THR 115 N 0.37 3.54 0.00 4.11 -4.23 -1.15 -4.97 115.64 113.30 1x5k s THR 115 Ca 0.56 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 1x5k s THR 115 Cb -0.33 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1x5k s THR 115 CO 0.34 -0.22 0.00 -0.81 -0.54 0.00 0.00 174.62 173.40 1x5k n PRO 116 N -1.16 0.28 -3.98 3.99 -0.04 -1.26 -3.67 135.00 129.15 1x5k n PRO 116 Ca 0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 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 -1.08 0.53 -0.02 0.54 -0.14 -1.26 -3.33 119.74 114.98 1x5k s LYS 117 Ca 0.00 -0.84 -0.27 0.00 -1.36 0.00 0.00 55.97 53.50 1x5k s LYS 117 Cb 0.00 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 36.31 1x5k s LYS 117 CO 0.00 -0.11 0.85 0.00 -0.76 0.00 0.00 175.35 175.32 1x5k s ALA 118 N -2.66 3.25 -0.01 5.17 0.00 -1.26 -4.87 121.76 121.38 1x5k s ALA 118 Ca -0.05 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1x5k s ALA 118 Cb -0.01 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1x5k s ALA 118 CO -0.05 -0.15 -0.07 -1.12 0.00 0.00 0.00 175.76 174.38 1x5k s SER 119 N 0.79 0.84 0.00 0.00 0.01 -1.26 -5.10 113.70 108.98 1x5k s SER 119 Ca 0.45 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1x5k s SER 119 Cb -0.20 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1x5k s SER 119 CO 0.24 0.07 0.02 0.61 0.41 0.00 0.00 173.24 174.59 1x5k n GLY 120 N 3.03 1.60 3.56 3.44 0.00 -1.26 -4.65 105.19 110.91 1x5k n GLY 120 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.04 2.56 -0.20 1.61 0.04 -1.26 -4.94 135.00 132.78 1x5k s PRO 121 Ca 0.00 -0.33 -0.03 0.00 0.04 0.00 0.00 61.00 60.68 1x5k s PRO 121 Cb 0.00 -5.07 -0.01 0.00 0.04 0.00 0.00 34.50 29.46 1x5k s PRO 121 CO 0.00 -3.39 -0.06 0.45 0.04 0.00 0.00 177.00 174.04 1x5k s SER 122 N 7.96 4.25 0.58 6.66 0.15 -1.26 -5.09 113.70 126.94 1x5k s SER 122 Ca 0.70 -0.37 -0.19 0.00 0.70 0.00 0.00 55.95 56.79 1x5k s SER 122 Cb -0.06 -1.71 -0.06 0.00 -1.71 0.00 0.00 66.02 62.48 1x5k s SER 122 CO -0.00 0.03 0.86 -1.54 1.20 0.00 0.00 173.24 173.78 1x5k n SER 123 N 4.45 0.34 0.00 5.45 3.41 -1.26 -5.23 113.62 120.78 1x5k n SER 123 Ca -0.18 0.80 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1x5k n SER 123 Cb 0.51 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1x5k n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49