#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k n SER 2 N 0.00 -3.14 -4.59 1.61 2.88 -1.26 -4.81 113.62 104.30 1x5k n SER 2 Ca 0.00 -0.94 -0.42 0.00 -1.33 0.00 0.00 58.87 56.18 1x5k n SER 2 Cb 0.00 -3.16 -0.03 0.00 -0.75 0.00 0.00 64.21 60.27 1x5k n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5k s SER 3 N -3.52 5.64 0.00 -3.46 0.15 -1.26 -4.71 113.70 106.54 1x5k s SER 3 Ca 0.57 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.61 1x5k s SER 3 Cb -0.30 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1x5k s SER 3 CO 0.89 -1.90 0.00 0.61 1.20 0.00 0.00 173.24 174.04 1x5k n GLY 4 N 5.57 -0.61 0.85 9.45 0.00 -1.26 -4.96 105.19 114.23 1x5k n GLY 4 Ca 0.26 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1x5k n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5k n SER 5 N -1.05 0.95 -4.90 1.61 3.41 -1.26 -5.10 113.62 107.27 1x5k n SER 5 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1x5k n SER 5 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1x5k n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5k s SER 6 N -4.63 4.72 -0.31 4.04 0.01 -1.26 -5.02 113.70 111.24 1x5k s SER 6 Ca 0.00 -1.14 -0.12 0.00 1.31 0.00 0.00 55.95 56.01 1x5k s SER 6 Cb 0.00 0.24 0.19 0.00 0.21 0.00 0.00 66.02 66.65 1x5k s SER 6 CO 0.00 -1.04 1.09 -0.83 0.41 0.00 0.00 173.24 172.87 1x5k s GLY 7 N -4.28 -1.45 -0.97 3.44 0.00 -1.26 -4.96 107.32 97.85 1x5k s GLY 7 Ca 0.39 1.55 -0.12 0.00 0.00 0.00 0.00 44.72 46.54 1x5k s GLY 7 CO 0.24 4.34 0.31 -0.37 0.00 0.00 0.00 173.10 177.61 1x5k n THR 8 N 3.88 0.00 -4.37 0.90 5.66 -1.26 -4.87 114.28 114.22 1x5k n THR 8 Ca 0.06 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.79 1x5k n THR 8 Cb 0.63 -0.26 -0.11 0.00 -1.55 0.00 0.00 70.33 69.05 1x5k n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5k s ALA 9 N -2.45 2.73 -0.13 1.79 0.00 -1.26 -5.02 121.76 117.42 1x5k s ALA 9 Ca 0.43 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 1x5k s ALA 9 Cb -0.25 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1x5k s ALA 9 CO 0.53 0.43 2.51 0.72 0.00 0.00 0.00 175.76 179.95 1x5k n HIS 10 N 0.09 0.53 -0.04 0.00 8.25 -1.26 -4.93 115.22 117.86 1x5k n HIS 10 Ca -0.11 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 55.89 1x5k n HIS 10 Cb 0.56 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 1.42 -3.93 2.74 -1.41 0.00 -1.26 -4.97 105.19 97.79 1x5k n GLY 11 Ca 0.23 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.88 0.46 0.06 2.61 -4.23 -1.26 -5.03 115.64 107.38 1x5k s THR 12 Ca 0.00 -0.32 -0.25 0.00 -1.18 0.00 0.00 61.69 59.94 1x5k s THR 12 Cb 0.00 -0.86 -0.17 0.00 1.34 0.00 0.00 72.50 72.82 1x5k s THR 12 CO 0.00 -0.05 1.60 0.74 -0.54 0.00 0.00 174.62 176.37 1x5k h THR 13 N 6.44 0.92 -1.02 3.99 2.02 -2.04 -3.44 112.91 119.78 1x5k h THR 13 Ca -0.18 -0.23 -0.79 0.00 0.77 0.00 0.00 66.41 65.99 1x5k h THR 13 Cb 1.12 1.06 0.05 0.00 -1.74 0.00 0.00 68.15 68.64 1x5k h THR 13 CO 0.31 0.05 0.07 0.33 0.37 0.00 0.00 175.52 176.66 1x5k n PHE 14 N -5.12 0.66 -3.92 3.16 7.35 -1.26 -4.95 117.46 113.38 1x5k n PHE 14 Ca -0.09 1.05 -0.22 0.00 -0.76 0.00 0.00 57.45 57.43 1x5k n PHE 14 Cb 0.14 -2.10 -0.04 0.00 0.35 0.00 0.00 39.48 37.83 1x5k n PHE 14 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1x5k s GLU 15 N 0.01 2.63 -0.11 -4.13 2.56 -1.26 -5.13 118.70 113.27 1x5k s GLU 15 Ca 0.91 -1.36 -0.01 0.00 0.00 0.00 0.00 54.97 54.51 1x5k s GLU 15 Cb -1.26 -2.39 0.03 0.00 2.00 0.00 0.00 34.13 32.52 1x5k s GLU 15 CO 0.57 0.12 -0.01 -0.51 -0.56 0.00 0.00 175.26 174.87 1x5k s LEU 16 N -3.94 0.87 0.55 2.70 1.43 -1.00 -5.10 118.68 114.19 1x5k s LEU 16 Ca 0.39 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.98 1x5k s LEU 16 Cb -0.05 -0.57 -0.06 0.00 0.03 0.00 0.00 46.19 45.54 1x5k s LEU 16 CO 0.25 -0.20 1.13 1.33 0.23 0.00 0.00 176.35 179.09 1x5k n VAL 17 N 5.07 3.53 -2.08 -1.59 0.24 -1.26 -4.07 118.33 118.18 1x5k n VAL 17 Ca -0.09 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 1x5k n VAL 17 Cb 0.49 -1.35 -0.03 0.00 -1.47 0.00 0.00 33.84 31.49 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 -2.67 3.27 -0.06 7.34 0.04 -1.26 -4.85 135.00 136.80 1x5k s PRO 18 Ca 0.72 1.19 0.08 0.00 0.04 0.00 0.00 61.00 63.02 1x5k s PRO 18 Cb -0.44 -4.19 0.32 0.00 0.04 0.00 0.00 34.50 30.23 1x5k s PRO 18 CO 0.50 -1.94 1.12 -2.37 0.04 0.00 0.00 177.00 174.34 1x5k n THR 19 N 7.31 0.86 -5.13 1.26 5.66 -1.26 -3.94 114.28 119.05 1x5k n THR 19 Ca 0.21 -0.53 -0.30 0.00 -3.05 0.00 0.00 64.05 60.39 1x5k n THR 19 Cb 0.48 -0.14 -0.16 0.00 -1.55 0.00 0.00 70.33 68.95 1x5k n THR 19 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1x5k s SER 20 N -0.61 2.75 0.94 1.09 0.15 -1.26 -4.72 113.70 112.04 1x5k s SER 20 Ca 0.22 -0.45 -0.12 0.00 0.70 0.00 0.00 55.95 56.31 1x5k s SER 20 Cb 0.15 -0.67 0.15 0.00 -1.71 0.00 0.00 66.02 63.94 1x5k s SER 20 CO 0.10 0.23 1.09 -2.16 1.20 0.00 0.00 173.24 173.70 1x5k s PRO 21 N -0.19 0.94 0.89 5.44 0.04 -1.26 -4.69 135.00 136.17 1x5k s PRO 21 Ca -0.01 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 1x5k s PRO 21 Cb -0.12 -1.78 0.12 0.00 0.04 0.00 0.00 34.50 32.76 1x5k s PRO 21 CO 0.02 -2.43 1.09 -1.25 0.04 0.00 0.00 177.00 174.48 1x5k s PRO 22 N -4.94 1.32 0.43 0.56 0.04 -1.26 -4.33 135.00 126.81 1x5k s PRO 22 Ca 0.64 0.84 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1x5k s PRO 22 Cb -0.18 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1x5k s PRO 22 CO 0.57 -2.21 0.09 0.15 0.04 0.00 0.00 177.00 175.64 1x5k s LYS 23 N -4.93 1.98 -1.52 4.56 1.02 -0.42 -4.82 119.74 115.61 1x5k s LYS 23 Ca 0.63 -2.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.29 1x5k s LYS 23 Cb -0.18 -0.89 0.08 0.00 -0.52 0.00 0.00 37.83 36.32 1x5k s LYS 23 CO 0.57 -0.42 0.86 -0.25 -0.92 0.00 0.00 175.35 175.19 1x5k n ASP 24 N -1.25 -3.64 -4.59 2.83 8.00 -1.26 0.32 116.55 116.95 1x5k n ASP 24 Ca -0.09 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.15 1x5k n ASP 24 Cb 0.66 -3.66 -0.03 0.00 -0.02 0.00 0.00 41.12 38.07 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 -3.41 3.68 -0.01 2.53 1.01 -1.26 -3.92 120.40 119.02 1x5k s VAL 25 Ca 0.52 0.64 0.05 0.00 0.00 0.00 0.00 61.98 63.19 1x5k s VAL 25 Cb -0.27 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1x5k s VAL 25 CO 0.85 -0.77 -0.16 0.42 0.00 0.00 0.00 175.10 175.45 1x5k s THR 26 N 6.47 1.24 -0.18 3.92 -4.23 -0.24 -5.02 115.64 117.60 1x5k s THR 26 Ca 0.66 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 1x5k s THR 26 Cb -0.15 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 72.70 1x5k s THR 26 CO 0.30 0.35 -0.03 -0.69 -0.54 0.00 0.00 174.62 174.01 1x5k s VAL 27 N -0.33 1.02 0.39 2.29 1.01 -1.26 -0.94 120.40 122.58 1x5k s VAL 27 Ca 0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1x5k s VAL 27 Cb -0.06 -1.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 1x5k s VAL 27 CO -0.00 0.01 0.02 0.68 0.00 0.00 0.00 175.10 175.81 1x5k s VAL 28 N 1.66 2.13 0.00 2.92 -7.23 0.96 -4.98 120.40 115.86 1x5k s VAL 28 Ca -0.01 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1x5k s VAL 28 Cb -0.16 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 1x5k s VAL 28 CO -0.07 -0.05 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.10 1x5k s SER 29 N -3.72 4.95 0.67 4.85 0.15 -1.26 0.28 113.70 119.62 1x5k s SER 29 Ca 0.36 -0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.78 1x5k s SER 29 Cb 0.07 -1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.11 1x5k s SER 29 CO 0.19 0.28 0.92 1.17 1.20 0.00 0.00 173.24 176.99 1x5k n LYS 30 N 1.43 0.63 -2.85 5.44 3.00 -0.53 -4.82 118.16 120.45 1x5k n LYS 30 Ca -0.15 0.27 -0.44 0.00 -0.00 0.00 0.00 58.31 57.99 1x5k n LYS 30 Cb 0.53 -2.16 -0.00 0.00 0.00 0.00 0.00 35.03 33.39 1x5k n LYS 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1x5k s GLU 31 N -3.05 4.01 0.00 1.64 2.12 -1.26 -3.73 118.70 118.43 1x5k s GLU 31 Ca 0.74 -2.34 0.00 0.00 0.36 0.00 0.00 54.97 53.73 1x5k s GLU 31 Cb -0.37 -5.16 0.00 0.00 0.26 0.00 0.00 34.13 28.85 1x5k s GLU 31 CO 0.49 -1.89 0.00 0.41 -0.54 0.00 0.00 175.26 173.74 1x5k n GLY 32 N 4.60 1.27 2.96 -1.50 0.00 -1.26 -5.09 105.19 106.17 1x5k n GLY 32 Ca 0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 1.75 0.13 1.61 2.36 -1.24 -5.00 119.74 119.34 1x5k s LYS 33 Ca 0.00 -0.96 -0.12 0.00 -2.55 0.00 0.00 55.97 52.34 1x5k s LYS 33 Cb 0.00 -2.55 -0.06 0.00 -1.05 0.00 0.00 37.83 34.18 1x5k s LYS 33 CO 0.00 -0.55 1.46 -1.00 1.55 0.00 0.00 175.35 176.81 1x5k h PRO 34 N 7.95 0.87 0.00 4.03 0.13 -1.85 -2.87 132.00 140.26 1x5k h PRO 34 Ca -0.20 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1x5k h PRO 34 Cb 1.08 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1x5k h PRO 34 CO 0.43 1.10 0.00 0.87 -0.23 0.00 0.00 178.00 180.17 1x5k h LYS 35 N 0.66 0.00 -5.69 0.86 1.57 -1.90 -3.41 116.57 108.66 1x5k h LYS 35 Ca 0.06 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.18 1x5k h LYS 35 Cb 0.94 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.09 1x5k h LYS 35 CO 0.09 0.00 -0.61 0.99 -0.57 0.00 0.00 179.45 179.35 1x5k s THR 36 N -3.72 4.40 -0.01 -0.16 2.01 -1.08 -2.36 115.64 114.71 1x5k s THR 36 Ca -0.03 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 1x5k s THR 36 Cb 0.08 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 1x5k s THR 36 CO 0.26 0.56 0.07 0.27 -0.69 0.00 0.00 174.62 175.09 1x5k s ILE 37 N -0.41 0.04 -0.07 1.82 -4.36 -0.25 -1.46 121.20 116.52 1x5k s ILE 37 Ca 0.08 -0.35 -0.01 0.00 -0.26 0.00 0.00 60.65 60.11 1x5k s ILE 37 Cb -0.12 -0.21 -0.03 0.00 1.25 0.00 0.00 42.46 43.34 1x5k s ILE 37 CO 0.02 -0.19 -0.01 -0.63 0.24 0.00 0.00 174.94 174.37 1x5k s ILE 38 N -0.59 4.19 -0.28 8.37 1.09 0.14 -1.91 121.20 132.21 1x5k s ILE 38 Ca -0.07 -0.35 0.01 0.00 -1.10 0.00 0.00 60.65 59.15 1x5k s ILE 38 Cb -0.04 -2.78 0.08 0.00 -1.06 0.00 0.00 42.46 38.66 1x5k s ILE 38 CO 0.00 0.56 0.00 -0.69 -0.10 0.00 0.00 174.94 174.71 1x5k s VAL 39 N -0.91 1.62 -0.27 2.92 1.01 -0.79 -0.03 120.40 123.96 1x5k s VAL 39 Ca 0.14 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.43 1x5k s VAL 39 Cb -0.11 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1x5k s VAL 39 CO 0.04 -0.36 0.20 0.20 0.00 0.00 0.00 175.10 175.18 1x5k s ASN 40 N 1.30 6.08 0.43 3.32 0.01 -0.12 -2.76 114.94 123.19 1x5k s ASN 40 Ca 0.02 0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.27 1x5k s ASN 40 Cb -0.19 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 1x5k s ASN 40 CO -0.11 -0.03 0.13 -1.66 -1.51 0.00 0.00 177.10 173.93 1x5k s TRP 41 N 1.56 1.78 0.08 2.20 -2.14 -0.59 -1.08 118.94 120.76 1x5k s TRP 41 Ca 0.08 -1.31 0.03 0.00 2.66 0.00 0.00 56.10 57.56 1x5k s TRP 41 Cb -0.15 -1.17 -0.03 0.00 -3.10 0.00 0.00 33.47 29.01 1x5k s TRP 41 CO 0.09 -0.31 -0.09 -0.65 -2.66 0.00 0.00 176.95 173.33 1x5k s GLN 42 N -3.68 0.75 0.62 3.25 -1.52 0.15 -4.77 119.66 114.46 1x5k s GLN 42 Ca 0.21 -1.08 -0.17 0.00 -1.95 0.00 0.00 55.36 52.38 1x5k s GLN 42 Cb 0.02 -0.40 -0.02 0.00 -0.22 0.00 0.00 33.01 32.39 1x5k s GLN 42 CO 0.14 0.05 1.12 -1.25 -0.25 0.00 0.00 175.29 175.10 1x5k s PRO 43 N -2.66 2.99 0.54 2.91 0.04 -1.26 -1.31 135.00 136.26 1x5k s PRO 43 Ca 0.02 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 1x5k s PRO 43 Cb -0.03 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1x5k s PRO 43 CO -0.01 -1.11 1.13 -1.25 0.04 0.00 0.00 177.00 175.80 1x5k s PRO 44 N -3.81 3.36 0.28 0.56 0.04 -1.26 -4.43 135.00 129.74 1x5k s PRO 44 Ca 0.69 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 1x5k s PRO 44 Cb -0.22 -2.01 0.40 0.00 0.04 0.00 0.00 34.50 32.72 1x5k s PRO 44 CO 0.36 -0.84 1.85 1.03 0.04 0.00 0.00 177.00 179.43 1x5k h SER 45 N 1.20 0.81 -1.31 6.66 0.87 -1.91 -3.22 113.55 116.65 1x5k h SER 45 Ca -0.50 -0.12 -0.75 0.00 -1.23 0.00 0.00 61.79 59.18 1x5k h SER 45 Cb 1.26 -0.21 -0.14 0.00 -0.44 0.00 0.00 62.40 62.87 1x5k h SER 45 CO 0.57 0.76 2.18 -0.62 -0.53 0.00 0.00 176.83 179.18 1x5k n GLU 46 N -4.30 4.04 -0.19 2.24 4.71 -1.26 -4.75 120.64 121.13 1x5k n GLU 46 Ca 0.05 -3.51 -0.04 0.00 -0.01 0.00 0.00 57.16 53.65 1x5k n GLU 46 Cb 0.19 -2.80 0.06 0.00 -1.01 0.00 0.00 31.44 27.89 1x5k n GLU 46 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1x5k h ALA 47 N 5.26 0.73 -3.57 0.62 0.00 -1.94 -3.40 119.26 116.96 1x5k h ALA 47 Ca 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 1x5k h ALA 47 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x5k h ALA 47 CO 1.56 -0.02 -0.00 0.09 0.00 0.00 0.00 179.25 180.88 1x5k n ASN 48 N -4.83 -0.58 0.00 0.00 3.02 -1.26 -4.06 115.26 107.54 1x5k n ASN 48 Ca 0.05 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1x5k n ASN 48 Cb 0.13 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 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 -0.27 2.41 3.60 7.41 0.00 -1.26 -2.37 105.19 114.71 1x5k n GLY 49 Ca -0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 3.53 -0.29 1.61 2.20 -1.26 -4.94 119.74 118.58 1x5k s LYS 50 Ca 0.00 1.14 -0.28 0.00 -0.36 0.00 0.00 55.97 56.47 1x5k s LYS 50 Cb 0.00 -4.07 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 1x5k s LYS 50 CO 0.00 -1.62 1.89 0.42 -0.36 0.00 0.00 175.35 175.67 1x5k s ILE 51 N 5.83 3.37 0.05 5.43 -1.09 -1.26 -4.08 121.20 129.46 1x5k s ILE 51 Ca 0.67 0.38 -0.16 0.00 -2.23 0.00 0.00 60.65 59.32 1x5k s ILE 51 Cb -0.17 -3.49 -0.21 0.00 -1.58 0.00 0.00 42.46 37.01 1x5k s ILE 51 CO 0.32 -0.30 1.19 0.71 -1.23 0.00 0.00 174.94 175.63 1x5k h THR 52 N 6.84 1.34 -0.26 2.92 1.35 -1.85 -3.46 112.91 119.79 1x5k h THR 52 Ca -0.36 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1x5k h THR 52 Cb 1.18 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.95 1x5k h THR 52 CO 1.01 0.63 0.00 0.61 -0.25 0.00 0.00 175.52 177.52 1x5k n GLY 53 N 0.95 2.37 3.37 5.82 0.00 -1.20 -4.06 105.19 112.45 1x5k n GLY 53 Ca -0.10 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.66 -0.39 0.02 1.61 1.51 -1.24 -3.44 117.35 113.75 1x5k s TYR 54 Ca 0.00 0.19 0.05 0.00 -1.01 0.00 0.00 57.07 56.30 1x5k s TYR 54 Cb 0.00 0.40 -0.02 0.00 -0.11 0.00 0.00 41.96 42.23 1x5k s TYR 54 CO 0.00 -0.75 -0.15 0.42 -1.11 0.00 0.00 175.55 173.96 1x5k s ILE 55 N -3.48 1.20 -0.07 2.71 1.01 -0.98 -0.02 121.20 121.58 1x5k s ILE 55 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1x5k s ILE 55 Cb 0.00 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1x5k s ILE 55 CO -0.10 0.17 -0.20 -0.63 0.00 0.00 0.00 174.94 174.18 1x5k s ILE 56 N -0.63 2.53 -0.08 2.92 1.01 -0.38 -2.35 121.20 124.22 1x5k s ILE 56 Ca 0.04 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1x5k s ILE 56 Cb -0.07 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1x5k s ILE 56 CO 0.01 0.57 -0.19 -0.31 0.00 0.00 0.00 174.94 175.01 1x5k s TYR 57 N -0.23 2.05 0.07 3.97 1.51 -0.40 -0.33 117.35 123.99 1x5k s TYR 57 Ca -0.01 -0.78 -0.10 0.00 -1.01 0.00 0.00 57.07 55.17 1x5k s TYR 57 Cb -0.13 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1x5k s TYR 57 CO 0.03 -0.33 0.22 1.52 -1.11 0.00 0.00 175.55 175.88 1x5k s TYR 58 N 0.40 0.06 0.10 2.71 -0.85 -1.25 0.33 117.35 118.86 1x5k s TYR 58 Ca -0.15 -0.37 -0.26 0.00 -0.52 0.00 0.00 57.07 55.76 1x5k s TYR 58 Cb -0.16 -0.01 0.08 0.00 0.38 0.00 0.00 41.96 42.25 1x5k s TYR 58 CO 0.06 -0.51 0.98 0.45 -1.52 0.00 0.00 175.55 175.01 1x5k s SER 59 N -2.48 -0.20 -0.11 -0.18 0.15 -1.19 -2.81 113.70 106.87 1x5k s SER 59 Ca 0.00 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.37 1x5k s SER 59 Cb 0.02 0.43 0.14 0.00 -1.71 0.00 0.00 66.02 64.91 1x5k s SER 59 CO -0.08 -0.78 1.38 0.35 1.20 0.00 0.00 173.24 175.31 1x5k n THR 60 N -0.42 1.69 -3.57 6.45 -2.24 -1.26 -3.56 114.28 111.36 1x5k n THR 60 Ca -0.07 -0.57 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 1x5k n THR 60 Cb 0.61 -0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 1x5k n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5k s ASP 61 N 0.60 -0.32 0.00 3.42 -1.08 -1.26 -5.04 116.67 112.99 1x5k s ASP 61 Ca 0.14 0.28 0.18 0.00 -0.52 0.00 0.00 52.55 52.63 1x5k s ASP 61 Cb 0.11 0.28 -0.10 0.00 -1.46 0.00 0.00 42.92 41.75 1x5k s ASP 61 CO 0.02 -0.35 0.86 0.55 0.52 0.00 0.00 175.17 176.77 1x5k n VAL 62 N 0.51 0.00 0.32 1.11 3.14 -1.26 -4.28 118.33 117.87 1x5k n VAL 62 Ca -0.08 -0.19 0.11 0.00 -2.96 0.00 0.00 64.34 61.21 1x5k n VAL 62 Cb 0.59 1.11 -0.15 0.00 -1.06 0.00 0.00 33.84 34.32 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 -0.76 0.37 -4.59 6.55 3.02 -1.26 -4.99 115.26 113.61 1x5k n ASN 63 Ca 0.06 -0.33 -0.43 0.00 -0.03 0.00 0.00 54.58 53.85 1x5k n ASN 63 Cb 0.34 1.66 -0.00 0.00 -0.61 0.00 0.00 39.78 41.16 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5k n ALA 64 N -2.00 -0.05 -1.74 5.41 0.00 -1.26 -4.85 120.51 116.02 1x5k n ALA 64 Ca -0.01 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1x5k n ALA 64 Cb 0.48 -2.04 -0.02 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.78 4.12 0.41 0.00 8.01 -1.26 -4.81 118.70 123.38 1x5k s GLU 65 Ca 0.61 2.60 0.32 0.00 0.01 0.00 0.00 54.97 58.51 1x5k s GLU 65 Cb -0.62 -3.06 1.35 0.00 -4.31 0.00 0.00 34.13 27.49 1x5k s GLU 65 CO 0.59 -0.72 1.35 1.51 0.01 0.00 0.00 175.26 178.00 1x5k n ILE 66 N 3.38 -0.16 -0.10 -1.63 0.13 -1.26 0.22 119.36 119.93 1x5k n ILE 66 Ca 0.13 1.50 -0.11 0.00 -1.10 0.00 0.00 62.75 63.17 1x5k n ILE 66 Cb 0.36 -2.46 -0.03 0.00 -0.84 0.00 0.00 39.64 36.66 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 0.59 -0.43 9.51 2.07 -2.01 -2.76 115.15 122.12 1x5k h HIS 67 Ca 0.78 -0.10 0.11 0.00 -2.85 0.00 0.00 60.37 58.31 1x5k h HIS 67 Cb 2.67 -0.15 -0.02 0.00 2.57 0.00 0.00 27.41 32.48 1x5k h HIS 67 CO -0.00 0.67 0.30 -0.44 -3.07 0.00 0.00 177.93 175.38 1x5k h ASP 68 N 0.34 0.08 -3.46 3.10 3.32 0.23 -3.42 116.42 116.60 1x5k h ASP 68 Ca 0.09 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.61 1x5k h ASP 68 Cb 0.43 -0.01 0.08 0.00 0.22 0.00 0.00 39.33 40.05 1x5k h ASP 68 CO 0.02 0.05 0.83 0.26 -1.72 0.00 0.00 179.24 178.67 1x5k s TRP 69 N -5.10 2.81 0.58 4.55 0.52 -1.04 -4.97 118.94 116.29 1x5k s TRP 69 Ca -0.06 0.93 -0.18 0.00 0.02 0.00 0.00 56.10 56.82 1x5k s TRP 69 Cb 0.19 -3.98 -0.04 0.00 -1.15 0.00 0.00 33.47 28.49 1x5k s TRP 69 CO 0.72 -3.18 1.14 0.54 0.02 0.00 0.00 176.95 176.19 1x5k s VAL 70 N -0.23 3.08 -0.31 4.03 0.11 -1.12 -4.89 120.40 121.07 1x5k s VAL 70 Ca 0.60 0.63 -0.07 0.00 -2.93 0.00 0.00 61.98 60.21 1x5k s VAL 70 Cb -0.46 -3.21 0.02 0.00 -1.53 0.00 0.00 36.38 31.20 1x5k s VAL 70 CO 0.49 -0.19 0.09 -0.63 -3.33 0.00 0.00 175.10 171.53 1x5k s ILE 71 N -1.88 3.87 -0.83 7.04 1.01 -1.26 -3.79 121.20 125.37 1x5k s ILE 71 Ca 0.72 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 1x5k s ILE 71 Cb -0.24 -3.07 0.21 0.00 0.01 0.00 0.00 42.46 39.37 1x5k s ILE 71 CO 0.32 -0.01 0.72 -1.61 0.00 0.00 0.00 174.94 174.35 1x5k s GLU 72 N 1.46 3.26 -0.06 2.79 8.01 0.55 -4.94 118.70 129.76 1x5k s GLU 72 Ca 0.01 -2.87 -0.30 0.00 0.01 0.00 0.00 54.97 51.82 1x5k s GLU 72 Cb -0.18 -4.07 -0.05 0.00 -4.31 0.00 0.00 34.13 25.53 1x5k s GLU 72 CO 0.02 -1.24 1.50 -1.25 0.01 0.00 0.00 175.26 174.30 1x5k s PRO 73 N -0.63 4.22 -0.21 0.39 0.04 -1.26 -1.25 135.00 136.29 1x5k s PRO 73 Ca 0.23 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 63.13 1x5k s PRO 73 Cb -0.12 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 1x5k s PRO 73 CO -0.08 -0.74 0.36 0.08 0.04 0.00 0.00 177.00 176.66 1x5k s VAL 74 N 3.46 5.22 0.74 -0.36 1.01 0.98 -5.01 120.40 126.45 1x5k s VAL 74 Ca 0.67 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 1x5k s VAL 74 Cb -0.30 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.42 1x5k s VAL 74 CO 0.25 0.27 1.10 0.68 0.00 0.00 0.00 175.10 177.40 1x5k s VAL 75 N 1.27 3.32 0.13 2.92 -7.23 -1.26 -3.70 120.40 115.84 1x5k s VAL 75 Ca 0.17 0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 1x5k s VAL 75 Cb -0.15 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.47 1x5k s VAL 75 CO 0.07 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 1x5k n GLY 76 N -2.66 -0.85 1.89 2.32 0.00 -1.26 -3.49 105.19 101.14 1x5k n GLY 76 Ca 0.07 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.13 6.08 -4.75 1.61 6.94 -1.26 -4.41 115.26 115.35 1x5k n ASN 77 Ca 0.00 -2.87 -0.40 0.00 -0.02 0.00 0.00 54.58 51.30 1x5k n ASN 77 Cb 0.25 -1.14 -0.05 0.00 -2.36 0.00 0.00 39.78 36.48 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1x5k s ARG 78 N -1.09 4.50 0.00 -3.83 3.52 -1.23 -4.95 118.95 115.87 1x5k s ARG 78 Ca 0.31 1.07 0.17 0.00 -0.13 0.00 0.00 55.73 57.14 1x5k s ARG 78 Cb 0.21 -3.35 0.44 0.00 -1.56 0.00 0.00 34.95 30.69 1x5k s ARG 78 CO -0.03 0.31 1.36 1.28 -0.81 0.00 0.00 175.30 177.41 1x5k n LEU 79 N 2.69 3.33 -4.16 -0.88 4.77 -1.26 -4.73 117.00 116.77 1x5k n LEU 79 Ca -0.03 -1.88 -0.25 0.00 -0.03 0.00 0.00 56.01 53.83 1x5k n LEU 79 Cb 0.50 -0.32 -0.15 0.00 -2.33 0.00 0.00 43.42 41.12 1x5k n LEU 79 CO 0.47 0.81 -0.50 0.28 -1.33 0.00 0.00 177.39 177.12 1x5k s THR 80 N -1.05 1.35 0.01 -5.08 -1.32 -1.26 -1.54 115.64 106.75 1x5k s THR 80 Ca 0.34 -0.73 0.03 0.00 -1.21 0.00 0.00 61.69 60.12 1x5k s THR 80 Cb 0.18 -1.13 -0.01 0.00 -1.51 0.00 0.00 72.50 70.04 1x5k s THR 80 CO 0.24 0.38 -0.08 -2.28 -2.21 0.00 0.00 174.62 170.67 1x5k s HIS 81 N -0.37 0.72 -0.34 9.09 2.46 -1.11 -4.98 115.29 120.76 1x5k s HIS 81 Ca 0.06 -0.22 -0.01 0.00 0.47 0.00 0.00 55.06 55.35 1x5k s HIS 81 Cb -0.07 -0.45 0.08 0.00 -0.13 0.00 0.00 32.58 32.00 1x5k s HIS 81 CO -0.00 -0.02 0.07 -0.65 -2.47 0.00 0.00 174.74 171.67 1x5k s GLN 82 N -0.56 2.17 -0.18 2.88 1.11 -1.26 -1.88 119.66 121.93 1x5k s GLN 82 Ca 0.00 -1.52 -0.09 0.00 0.01 0.00 0.00 55.36 53.76 1x5k s GLN 82 Cb -0.05 -3.31 -0.05 0.00 -1.01 0.00 0.00 33.01 28.60 1x5k s GLN 82 CO 0.00 -0.80 0.13 0.42 0.01 0.00 0.00 175.29 175.05 1x5k s ILE 83 N 1.17 5.41 0.26 1.08 1.01 -0.80 -4.94 121.20 124.38 1x5k s ILE 83 Ca 0.01 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1x5k s ILE 83 Cb -0.21 -3.44 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 1x5k s ILE 83 CO -0.03 0.48 0.03 0.00 0.00 0.00 0.00 174.94 175.42 1x5k n GLN 84 N 3.14 1.12 -2.59 2.79 6.02 -1.26 -1.09 117.38 125.51 1x5k n GLN 84 Ca -0.17 -1.99 -0.20 0.00 -0.01 0.00 0.00 57.00 54.62 1x5k n GLN 84 Cb 0.53 0.72 0.00 0.00 1.02 0.00 0.00 30.24 32.51 1x5k n GLN 84 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1x5k n GLU 85 N -0.63 -2.61 -3.15 -1.09 -0.58 -1.20 -4.92 120.64 106.46 1x5k n GLU 85 Ca -0.09 0.93 -0.25 0.00 -0.42 0.00 0.00 57.16 57.33 1x5k n GLU 85 Cb 0.35 -5.64 -0.01 0.00 -0.57 0.00 0.00 31.44 25.57 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 -6.18 3.90 0.80 -4.62 1.43 -1.00 -5.09 118.68 107.94 1x5k s LEU 86 Ca 0.09 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1x5k s LEU 86 Cb -0.04 -3.50 0.07 0.00 0.03 0.00 0.00 46.19 42.75 1x5k s LEU 86 CO 0.11 -0.37 1.13 -0.89 0.23 0.00 0.00 176.35 176.56 1x5k s THR 87 N -2.43 2.60 0.37 5.49 2.01 -1.26 -4.60 115.64 117.83 1x5k s THR 87 Ca 0.42 0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.69 1x5k s THR 87 Cb -0.10 -3.08 -0.07 0.00 0.01 0.00 0.00 72.50 69.26 1x5k s THR 87 CO 0.38 -0.25 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.28 1x5k s LEU 88 N -5.67 2.75 -1.06 4.42 1.43 -1.26 -4.72 118.68 114.57 1x5k s LEU 88 Ca 0.61 -1.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.33 1x5k s LEU 88 Cb -0.13 -0.86 0.06 0.00 0.03 0.00 0.00 46.19 45.29 1x5k s LEU 88 CO 0.52 -0.39 0.32 -0.67 0.23 0.00 0.00 176.35 176.36 1x5k n ASP 89 N -0.87 -3.05 -3.77 2.29 2.03 -1.21 -4.92 116.55 107.07 1x5k n ASP 89 Ca -0.05 -0.21 -0.14 0.00 0.52 0.00 0.00 54.79 54.92 1x5k n ASP 89 Cb 0.66 -2.58 -0.15 0.00 -0.72 0.00 0.00 41.12 38.33 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 -2.73 -0.04 -0.06 5.18 2.01 -1.26 -4.98 115.64 113.75 1x5k s THR 90 Ca 0.30 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 1x5k s THR 90 Cb -0.16 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1x5k s THR 90 CO 0.37 0.07 1.50 -2.16 -0.69 0.00 0.00 174.62 173.71 1x5k s PRO 91 N 0.99 4.22 -0.10 4.92 0.04 -1.26 -3.06 135.00 140.76 1x5k s PRO 91 Ca -0.08 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1x5k s PRO 91 Cb -0.10 -3.82 -0.00 0.00 0.04 0.00 0.00 34.50 30.62 1x5k s PRO 91 CO -0.04 -0.74 -0.23 0.71 0.04 0.00 0.00 177.00 176.73 1x5k s TYR 92 N 3.46 2.57 -0.23 0.56 1.51 -1.05 -4.80 117.35 119.36 1x5k s TYR 92 Ca 0.67 -0.96 -0.10 0.00 -1.01 0.00 0.00 57.07 55.67 1x5k s TYR 92 Cb -0.30 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 1x5k s TYR 92 CO 0.25 -0.37 0.13 0.71 -1.11 0.00 0.00 175.55 175.17 1x5k s TYR 93 N 0.26 3.27 0.15 2.71 1.51 -1.23 -1.70 117.35 122.31 1x5k s TYR 93 Ca -0.16 0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.09 1x5k s TYR 93 Cb -0.17 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.40 1x5k s TYR 93 CO 0.08 0.02 0.01 -0.06 -1.11 0.00 0.00 175.55 174.49 1x5k s PHE 94 N 1.03 2.92 -0.00 2.71 0.08 -0.66 -3.17 117.98 120.88 1x5k s PHE 94 Ca 0.07 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.03 1x5k s PHE 94 Cb -0.14 -1.44 -0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1x5k s PHE 94 CO 0.04 0.50 -0.03 0.15 -0.10 0.00 0.00 175.22 175.78 1x5k s LYS 95 N -2.74 0.26 -0.02 0.44 1.02 0.15 -1.42 119.74 117.43 1x5k s LYS 95 Ca 0.27 -0.10 0.07 0.00 0.02 0.00 0.00 55.97 56.23 1x5k s LYS 95 Cb -0.10 -0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 36.92 1x5k s LYS 95 CO 0.19 0.06 -0.24 0.42 -0.92 0.00 0.00 175.35 174.86 1x5k s ILE 96 N -0.00 2.26 -0.05 2.17 1.01 -1.26 -1.27 121.20 124.04 1x5k s ILE 96 Ca 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 1x5k s ILE 96 Cb -0.02 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1x5k s ILE 96 CO -0.00 0.56 0.18 -1.58 0.00 0.00 0.00 174.94 174.10 1x5k s GLN 97 N -0.69 0.27 -0.07 2.79 0.74 -0.99 -2.08 119.66 119.64 1x5k s GLN 97 Ca 0.10 0.13 -0.03 0.00 0.05 0.00 0.00 55.36 55.61 1x5k s GLN 97 Cb -0.10 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 1x5k s GLN 97 CO -0.00 -0.04 0.07 0.00 -0.55 0.00 0.00 175.29 174.76 1x5k s ALA 98 N -0.20 3.54 -0.01 1.58 0.00 -1.26 -2.31 121.76 123.11 1x5k s ALA 98 Ca -0.03 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 1x5k s ALA 98 Cb -0.03 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1x5k s ALA 98 CO 0.01 0.63 0.15 -0.98 0.00 0.00 0.00 175.76 175.56 1x5k s ARG 99 N -1.20 0.45 0.38 0.00 1.70 -1.22 -1.25 118.95 117.82 1x5k s ARG 99 Ca 0.17 -0.31 0.01 0.00 -0.47 0.00 0.00 55.73 55.13 1x5k s ARG 99 Cb -0.12 0.19 -0.00 0.00 -0.57 0.00 0.00 34.95 34.45 1x5k s ARG 99 CO 0.07 -0.11 0.03 0.09 -1.08 0.00 0.00 175.30 174.30 1x5k n ASN 100 N 1.64 2.62 -0.32 -2.89 3.02 0.71 -2.85 115.26 117.19 1x5k n ASN 100 Ca -0.21 -2.76 0.19 0.00 -0.03 0.00 0.00 54.58 51.76 1x5k n ASN 100 Cb 0.56 0.42 0.39 0.00 -0.61 0.00 0.00 39.78 40.54 1x5k n ASN 100 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x5k h SER 101 N 1.05 0.29 0.00 6.41 0.87 -1.96 -2.50 113.55 117.71 1x5k h SER 101 Ca -0.32 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1x5k h SER 101 Cb 1.00 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1x5k h SER 101 CO 0.52 -0.14 0.00 0.29 -0.53 0.00 0.00 176.83 176.97 1x5k n LYS 102 N -5.13 0.00 0.00 2.24 4.76 -1.26 -5.02 118.16 113.75 1x5k n LYS 102 Ca 0.27 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1x5k n LYS 102 Cb 0.84 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 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 -0.87 3.17 3.67 0.72 0.00 -0.94 -5.11 105.19 105.82 1x5k n GLY 103 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 1.78 2.37 0.00 1.61 -1.94 -1.26 -0.21 119.30 121.66 1x5k s MET 104 Ca 0.00 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 52.63 1x5k s MET 104 Cb 0.00 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.62 1x5k s MET 104 CO 0.00 0.38 0.00 0.41 -0.01 0.00 0.00 175.02 175.80 1x5k n GLY 105 N -0.87 2.98 3.77 -0.03 0.00 -0.38 -4.84 105.19 105.82 1x5k n GLY 105 Ca -0.07 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 1x5k n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 106 N -0.69 4.21 0.54 1.61 0.04 -1.25 -4.82 135.00 134.64 1x5k s PRO 106 Ca 0.00 1.96 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 1x5k s PRO 106 Cb 0.00 -2.86 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 1x5k s PRO 106 CO 0.00 -0.22 1.02 -1.64 0.04 0.00 0.00 177.00 176.20 1x5k s MET 107 N -2.03 3.68 0.86 4.56 -1.94 -1.26 -4.42 119.30 118.75 1x5k s MET 107 Ca 0.53 1.09 -0.12 0.00 -1.71 0.00 0.00 55.69 55.48 1x5k s MET 107 Cb -0.34 -2.09 0.15 0.00 2.01 0.00 0.00 34.83 34.56 1x5k s MET 107 CO 0.43 -0.51 1.21 0.45 -0.01 0.00 0.00 175.02 176.59 1x5k s SER 108 N -2.87 3.75 0.40 3.03 0.15 -0.88 -4.89 113.70 112.38 1x5k s SER 108 Ca 0.61 0.26 -0.24 0.00 0.70 0.00 0.00 55.95 57.28 1x5k s SER 108 Cb -0.13 -0.51 -0.09 0.00 -1.71 0.00 0.00 66.02 63.59 1x5k s SER 108 CO 0.33 -2.31 1.06 -1.61 1.20 0.00 0.00 173.24 171.90 1x5k s GLU 109 N -5.63 4.16 -0.12 5.44 0.41 -1.26 -4.77 118.70 116.92 1x5k s GLU 109 Ca 0.69 1.56 -0.33 0.00 -0.41 0.00 0.00 54.97 56.48 1x5k s GLU 109 Cb -0.06 -2.57 -0.10 0.00 -1.78 0.00 0.00 34.13 29.61 1x5k s GLU 109 CO 0.50 -0.15 1.99 0.00 -0.49 0.00 0.00 175.26 177.10 1x5k n ALA 110 N -0.02 1.14 -2.60 5.21 0.00 -1.26 -4.81 120.51 118.17 1x5k n ALA 110 Ca 0.05 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 1x5k n ALA 110 Cb 0.49 -2.60 -0.07 0.00 0.00 0.00 0.00 19.45 17.27 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 5.21 4.97 -0.16 0.00 1.01 -0.51 -4.92 120.40 126.01 1x5k s VAL 111 Ca 0.96 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 1x5k s VAL 111 Cb -0.62 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 31.59 1x5k s VAL 111 CO 0.48 -0.59 1.13 -1.58 0.00 0.00 0.00 175.10 174.54 1x5k s GLN 112 N 2.41 4.29 -0.17 2.72 0.74 -1.26 -1.66 119.66 126.73 1x5k s GLN 112 Ca 0.15 1.51 -0.04 0.00 0.05 0.00 0.00 55.36 57.03 1x5k s GLN 112 Cb -0.18 -3.65 0.06 0.00 1.10 0.00 0.00 33.01 30.34 1x5k s GLN 112 CO 0.14 -0.58 0.08 0.12 -0.55 0.00 0.00 175.29 174.50 1x5k s PHE 113 N 2.95 0.34 0.21 1.67 2.19 -0.69 -5.01 117.98 119.64 1x5k s PHE 113 Ca 0.50 -0.38 -0.30 0.00 0.33 0.00 0.00 56.93 57.08 1x5k s PHE 113 Cb -0.19 -0.74 -0.09 0.00 -1.31 0.00 0.00 43.02 40.69 1x5k s PHE 113 CO 0.13 -0.51 1.22 0.50 1.83 0.00 0.00 175.22 178.39 1x5k s ARG 114 N 2.09 4.47 0.33 10.12 3.52 -1.26 -2.54 118.95 135.68 1x5k s ARG 114 Ca 0.02 1.94 -0.27 0.00 -0.13 0.00 0.00 55.73 57.29 1x5k s ARG 114 Cb -0.16 -3.21 -0.09 0.00 -1.56 0.00 0.00 34.95 29.92 1x5k s ARG 114 CO -0.08 -0.11 1.02 0.95 -0.81 0.00 0.00 175.30 176.27 1x5k s THR 115 N -0.19 3.82 0.00 4.11 -4.23 -1.17 -4.97 115.64 113.00 1x5k s THR 115 Ca 0.53 1.57 0.00 0.00 -1.18 0.00 0.00 61.69 62.61 1x5k s THR 115 Cb -0.34 -3.90 0.00 0.00 1.34 0.00 0.00 72.50 69.60 1x5k s THR 115 CO 0.39 0.18 0.00 -0.81 -0.54 0.00 0.00 174.62 173.84 1x5k n PRO 116 N 0.57 0.26 -4.19 3.99 -0.04 -1.26 -3.55 135.00 130.78 1x5k n PRO 116 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 1x5k n PRO 116 Cb 0.48 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.84 1x5k n PRO 116 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x5k s LYS 117 N -1.10 0.96 -0.07 0.54 -0.14 -1.26 -3.29 119.74 115.38 1x5k s LYS 117 Ca 0.00 -1.44 -0.00 0.00 -1.36 0.00 0.00 55.97 53.17 1x5k s LYS 117 Cb 0.00 -0.07 0.05 0.00 -1.68 0.00 0.00 37.83 36.13 1x5k s LYS 117 CO 0.00 -0.14 1.94 0.00 -0.76 0.00 0.00 175.35 176.38 1x5k n ALA 118 N -0.13 4.15 0.01 5.17 0.00 -1.26 -4.33 120.51 124.12 1x5k n ALA 118 Ca -0.08 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 1x5k n ALA 118 Cb 0.63 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 1x5k n ALA 118 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x5k h SER 119 N 1.03 -0.09 -5.19 0.00 4.64 -2.00 -3.49 113.55 108.45 1x5k h SER 119 Ca 0.07 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1x5k h SER 119 Cb 1.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1x5k h SER 119 CO 0.17 0.47 -0.42 0.61 -0.87 0.00 0.00 176.83 176.79 1x5k n GLY 120 N 0.47 -1.28 0.18 -0.77 0.00 -1.26 -4.95 105.19 97.57 1x5k n GLY 120 Ca -0.08 1.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.92 1x5k n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5k h PRO 121 N 1.73 0.54 -6.07 1.61 0.13 -1.96 -3.44 132.00 124.53 1x5k h PRO 121 Ca 0.00 -0.28 -0.59 0.00 -0.87 0.00 0.00 66.00 64.26 1x5k h PRO 121 Cb 0.96 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 31.83 1x5k h PRO 121 CO 0.20 0.87 -0.85 -1.12 -0.23 0.00 0.00 178.00 176.87 1x5k s SER 122 N -6.34 2.47 -0.16 1.44 0.01 -1.26 -5.06 113.70 104.80 1x5k s SER 122 Ca -0.13 -0.47 -0.24 0.00 1.31 0.00 0.00 55.95 56.42 1x5k s SER 122 Cb 0.07 -0.23 -0.21 0.00 0.21 0.00 0.00 66.02 65.86 1x5k s SER 122 CO 0.79 0.20 0.48 0.28 0.41 0.00 0.00 173.24 175.40 1x5k h SER 123 N 5.16 0.00 0.00 2.44 0.02 -2.02 -3.49 113.55 115.66 1x5k h SER 123 Ca -0.41 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 59.81 1x5k h SER 123 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1x5k h SER 123 CO 0.45 1.16 0.00 0.61 -1.14 0.00 0.00 176.83 177.91