#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 -1.49 -4.83 1.61 7.64 -1.26 -4.88 113.62 110.41 1x5k n SER 2 Ca 0.00 -1.22 -0.33 0.00 1.01 0.00 0.00 58.87 58.32 1x5k n SER 2 Cb 0.00 -1.77 -0.06 0.00 -1.01 0.00 0.00 64.21 61.37 1x5k n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5k s SER 3 N -3.48 6.89 0.00 6.43 0.01 -1.26 -5.00 113.70 117.29 1x5k s SER 3 Ca 0.66 1.42 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1x5k s SER 3 Cb -0.38 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1x5k s SER 3 CO 1.01 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 175.08 1x5k n GLY 4 N -0.20 1.05 3.19 3.44 0.00 -1.26 -5.17 105.19 106.24 1x5k n GLY 4 Ca 0.03 0.23 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1x5k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5k s SER 5 N 0.00 2.05 -0.10 1.61 0.01 -1.26 -5.12 113.70 110.88 1x5k s SER 5 Ca 0.00 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 1x5k s SER 5 Cb 0.00 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 1x5k s SER 5 CO 0.00 0.12 0.98 -0.55 0.41 0.00 0.00 173.24 174.20 1x5k s SER 6 N -1.00 7.22 0.00 2.44 0.15 -1.26 -4.84 113.70 116.41 1x5k s SER 6 Ca 0.05 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1x5k s SER 6 Cb -0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1x5k s SER 6 CO 0.01 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1x5k n GLY 7 N 3.12 0.12 0.67 9.45 0.00 -1.26 -5.11 105.19 112.18 1x5k n GLY 7 Ca 0.08 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 1x5k n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x5k n THR 8 N 0.00 0.90 -1.39 2.61 -1.04 -1.26 -5.04 114.28 109.06 1x5k n THR 8 Ca 0.00 0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.65 1x5k n THR 8 Cb 0.00 -1.74 0.02 0.00 -1.82 0.00 0.00 70.33 66.78 1x5k n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x5k n ALA 9 N -3.64 -1.93 0.35 2.41 0.00 -1.26 -4.92 120.51 111.52 1x5k n ALA 9 Ca -0.15 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1x5k n ALA 9 Cb 0.47 -1.67 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 1x5k n ALA 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1x5k h HIS 10 N 0.40 -0.85 -0.26 0.00 -0.00 -2.03 -3.43 115.15 108.99 1x5k h HIS 10 Ca -0.42 -0.02 -0.25 0.00 -0.00 0.00 0.00 60.37 59.69 1x5k h HIS 10 Cb 1.42 0.28 -0.22 0.00 -0.00 0.00 0.00 27.41 28.89 1x5k h HIS 10 CO 0.31 -0.53 -0.58 0.41 -0.00 0.00 0.00 177.93 177.54 1x5k n GLY 11 N -0.58 1.47 0.10 5.26 0.00 -1.26 -4.98 105.19 105.20 1x5k n GLY 11 Ca -0.11 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 1x5k n GLY 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x5k n THR 12 N -0.57 1.49 -1.23 2.61 -1.04 -1.26 -4.95 114.28 109.33 1x5k n THR 12 Ca -0.01 0.03 -0.46 0.00 -2.04 0.00 0.00 64.05 61.57 1x5k n THR 12 Cb 0.84 -2.16 -0.05 0.00 -1.82 0.00 0.00 70.33 67.15 1x5k n THR 12 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x5k n THR 13 N -4.48 0.77 -2.06 12.58 -2.24 -1.26 -4.77 114.28 112.83 1x5k n THR 13 Ca -0.25 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 60.91 1x5k n THR 13 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.39 2.06 0.91 4.78 -0.71 -1.26 -4.97 117.98 118.39 1x5k s PHE 14 Ca 0.66 0.38 -0.10 0.00 -1.04 0.00 0.00 56.93 56.83 1x5k s PHE 14 Cb -0.94 -3.91 0.14 0.00 -1.21 0.00 0.00 43.02 37.10 1x5k s PHE 14 CO 0.48 -3.41 1.14 -2.00 -1.34 0.00 0.00 175.22 170.09 1x5k s GLU 15 N 4.28 1.06 -0.22 1.99 2.56 -1.26 -5.01 118.70 122.09 1x5k s GLU 15 Ca 0.72 1.52 -0.00 0.00 0.00 0.00 0.00 54.97 57.21 1x5k s GLU 15 Cb -0.30 -1.73 0.02 0.00 2.00 0.00 0.00 34.13 34.12 1x5k s GLU 15 CO 0.28 -2.60 -0.12 -0.51 -0.56 0.00 0.00 175.26 171.76 1x5k s LEU 16 N -6.58 2.76 0.73 2.70 2.01 -1.22 -5.10 118.68 113.98 1x5k s LEU 16 Ca 0.66 -0.77 -0.16 0.00 0.01 0.00 0.00 54.13 53.88 1x5k s LEU 16 Cb -0.22 -1.59 -0.00 0.00 0.01 0.00 0.00 46.19 44.38 1x5k s LEU 16 CO 0.58 -0.07 0.88 1.33 1.01 0.00 0.00 176.35 180.08 1x5k n VAL 17 N 4.65 2.53 -2.05 -1.59 0.24 -1.26 -4.34 118.33 116.50 1x5k n VAL 17 Ca -0.18 -0.37 -0.40 0.00 -2.04 0.00 0.00 64.34 61.35 1x5k n VAL 17 Cb 0.48 -1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 31.80 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 -3.24 2.82 0.00 7.34 0.04 -1.26 -4.82 135.00 135.88 1x5k s PRO 18 Ca 0.71 0.79 0.16 0.00 0.04 0.00 0.00 61.00 62.71 1x5k s PRO 18 Cb -0.34 -4.33 0.69 0.00 0.04 0.00 0.00 34.50 30.56 1x5k s PRO 18 CO 0.52 -2.49 1.48 0.25 0.04 0.00 0.00 177.00 176.80 1x5k n THR 19 N 7.24 0.17 -5.05 1.26 -2.24 -1.26 -3.83 114.28 110.57 1x5k n THR 19 Ca 0.21 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1x5k n THR 19 Cb 0.51 0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.71 1x5k n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x5k s SER 20 N -1.41 3.57 0.86 3.42 0.15 -1.26 -4.60 113.70 114.44 1x5k s SER 20 Ca 0.26 -0.36 -0.11 0.00 0.70 0.00 0.00 55.95 56.43 1x5k s SER 20 Cb 0.13 -0.94 0.11 0.00 -1.71 0.00 0.00 66.02 63.62 1x5k s SER 20 CO 0.20 0.27 1.09 -2.16 1.20 0.00 0.00 173.24 173.85 1x5k s PRO 21 N -0.31 1.53 0.73 5.44 0.04 -1.26 -4.69 135.00 136.48 1x5k s PRO 21 Ca 0.02 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1x5k s PRO 21 Cb -0.13 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.62 1x5k s PRO 21 CO 0.02 -2.08 1.10 -1.25 0.04 0.00 0.00 177.00 174.83 1x5k s PRO 22 N -4.92 2.45 0.50 0.56 0.04 -1.26 -4.32 135.00 128.04 1x5k s PRO 22 Ca 0.63 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.94 1x5k s PRO 22 Cb -0.18 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1x5k s PRO 22 CO 0.57 -1.51 0.23 1.63 0.04 0.00 0.00 177.00 177.96 1x5k n LYS 23 N -3.13 0.78 -2.20 4.56 5.02 -0.25 -4.67 118.16 118.26 1x5k n LYS 23 Ca 0.10 -3.31 -0.14 0.00 -2.02 0.00 0.00 58.31 52.93 1x5k n LYS 23 Cb 0.53 0.57 -0.02 0.00 -0.02 0.00 0.00 35.03 36.09 1x5k n LYS 23 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1x5k n ASP 24 N -1.63 -4.22 -4.59 4.39 -0.08 -1.26 0.95 116.55 110.11 1x5k n ASP 24 Ca -0.09 0.19 -0.42 0.00 -1.51 0.00 0.00 54.79 52.97 1x5k n ASP 24 Cb 0.59 -3.64 -0.03 0.00 2.34 0.00 0.00 41.12 40.39 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1x5k s VAL 25 N -2.60 3.37 0.03 5.18 1.01 -1.26 -3.47 120.40 122.66 1x5k s VAL 25 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1x5k s VAL 25 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1x5k s VAL 25 CO 0.00 -0.44 -0.06 0.42 0.00 0.00 0.00 175.10 175.02 1x5k s THR 26 N 7.84 0.43 -0.21 3.92 -4.23 0.27 -4.99 115.64 118.67 1x5k s THR 26 Ca 0.81 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1x5k s THR 26 Cb -0.21 -0.48 0.05 0.00 1.34 0.00 0.00 72.50 73.20 1x5k s THR 26 CO 0.31 -0.27 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.36 1x5k s VAL 27 N -1.05 1.50 0.56 2.29 1.01 -1.26 -0.15 120.40 123.29 1x5k s VAL 27 Ca -0.08 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.90 1x5k s VAL 27 Cb -0.08 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.66 1x5k s VAL 27 CO 0.00 0.04 0.34 1.33 0.00 0.00 0.00 175.10 176.81 1x5k n VAL 28 N 4.71 0.00 -4.02 2.92 0.24 -0.15 -5.00 118.33 117.03 1x5k n VAL 28 Ca -0.13 -2.29 -0.24 0.00 -2.04 0.00 0.00 64.34 59.65 1x5k n VAL 28 Cb 0.46 0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.85 1x5k n VAL 28 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x5k s SER 29 N -4.23 4.56 -0.07 -1.34 1.04 -1.26 -1.92 113.70 110.47 1x5k s SER 29 Ca 0.26 -0.98 -0.03 0.00 0.48 0.00 0.00 55.95 55.67 1x5k s SER 29 Cb -0.02 -0.53 -0.04 0.00 0.10 0.00 0.00 66.02 65.54 1x5k s SER 29 CO 0.16 -0.53 0.08 -0.75 0.98 0.00 0.00 173.24 173.18 1x5k s LYS 30 N -3.94 3.18 -0.58 4.02 2.20 -1.20 -4.66 119.74 118.77 1x5k s LYS 30 Ca 0.42 -0.33 -0.25 0.00 -0.36 0.00 0.00 55.97 55.45 1x5k s LYS 30 Cb 0.02 -2.96 0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1x5k s LYS 30 CO 0.23 0.72 1.04 -2.00 -0.36 0.00 0.00 175.35 174.98 1x5k s GLU 31 N -1.18 3.35 0.00 4.03 2.12 -1.26 -3.56 118.70 122.20 1x5k s GLU 31 Ca 0.17 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1x5k s GLU 31 Cb -0.12 -4.07 0.00 0.00 0.26 0.00 0.00 34.13 30.20 1x5k s GLU 31 CO 0.06 -1.62 0.00 0.41 -0.54 0.00 0.00 175.26 173.58 1x5k n GLY 32 N 5.14 0.69 2.82 -1.50 0.00 -1.26 -5.05 105.19 106.04 1x5k n GLY 32 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 0.97 0.45 1.61 2.36 -1.23 -4.97 119.74 118.93 1x5k s LYS 33 Ca 0.00 -1.21 0.31 0.00 -2.55 0.00 0.00 55.97 52.52 1x5k s LYS 33 Cb 0.00 -2.33 1.27 0.00 -1.05 0.00 0.00 37.83 35.72 1x5k s LYS 33 CO 0.00 -0.92 1.90 -1.00 1.55 0.00 0.00 175.35 176.89 1x5k h PRO 34 N 7.98 0.00 -0.00 4.03 0.13 -1.89 -2.31 132.00 139.94 1x5k h PRO 34 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1x5k h PRO 34 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1x5k h PRO 34 CO 0.47 0.00 -0.25 1.63 -0.23 0.00 0.00 178.00 179.62 1x5k n LYS 35 N -2.80 0.41 -4.20 0.86 5.02 -1.26 -4.48 118.16 111.71 1x5k n LYS 35 Ca 0.01 -0.18 -0.30 0.00 -2.02 0.00 0.00 58.31 55.82 1x5k n LYS 35 Cb 0.27 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.72 3.54 0.06 -0.18 2.01 -0.87 -1.86 115.64 115.62 1x5k s THR 36 Ca 0.20 -1.21 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 1x5k s THR 36 Cb 0.19 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 70.04 1x5k s THR 36 CO 0.56 0.10 0.24 0.27 -0.69 0.00 0.00 174.62 175.10 1x5k s ILE 37 N -1.26 0.11 -0.16 1.82 -4.36 -0.54 -3.21 121.20 113.59 1x5k s ILE 37 Ca 0.23 -0.88 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 1x5k s ILE 37 Cb -0.11 -1.03 0.00 0.00 1.25 0.00 0.00 42.46 42.57 1x5k s ILE 37 CO 0.15 -0.49 -0.16 -0.63 0.24 0.00 0.00 174.94 174.05 1x5k s ILE 38 N -2.93 2.51 -0.45 8.37 1.09 -0.81 -1.88 121.20 127.10 1x5k s ILE 38 Ca -0.02 -0.81 -0.11 0.00 -1.10 0.00 0.00 60.65 58.60 1x5k s ILE 38 Cb 0.01 -2.06 0.09 0.00 -1.06 0.00 0.00 42.46 39.43 1x5k s ILE 38 CO -0.06 0.52 0.33 -0.69 -0.10 0.00 0.00 174.94 174.94 1x5k s VAL 39 N 0.94 4.59 0.32 2.92 1.01 -0.76 -0.98 120.40 128.43 1x5k s VAL 39 Ca -0.03 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.51 1x5k s VAL 39 Cb -0.15 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1x5k s VAL 39 CO -0.03 -0.60 0.60 0.20 0.00 0.00 0.00 175.10 175.27 1x5k s ASN 40 N 2.47 6.45 0.09 3.32 -0.87 0.78 -2.91 114.94 124.27 1x5k s ASN 40 Ca 0.04 0.78 -0.16 0.00 -1.57 0.00 0.00 52.86 51.95 1x5k s ASN 40 Cb -0.24 -2.17 0.06 0.00 -0.02 0.00 0.00 41.25 38.87 1x5k s ASN 40 CO 0.03 -0.24 0.77 -2.67 -2.57 0.00 0.00 177.10 172.41 1x5k n TRP 41 N -1.05 -0.88 -3.89 2.20 2.14 -0.73 -0.57 117.44 114.66 1x5k n TRP 41 Ca -0.01 -0.77 -0.09 0.00 2.07 0.00 0.00 57.50 58.71 1x5k n TRP 41 Cb 0.54 0.37 -0.07 0.00 -0.81 0.00 0.00 31.31 31.34 1x5k n TRP 41 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1x5k s GLN 42 N -2.03 0.90 0.57 -2.67 -0.21 0.27 -4.78 119.66 111.71 1x5k s GLN 42 Ca 0.17 -1.02 -0.18 0.00 0.02 0.00 0.00 55.36 54.35 1x5k s GLN 42 Cb -0.02 0.34 -0.04 0.00 1.00 0.00 0.00 33.01 34.29 1x5k s GLN 42 CO 0.03 -0.30 1.12 -1.25 -2.12 0.00 0.00 175.29 172.77 1x5k s PRO 43 N -3.89 3.23 0.86 2.91 0.04 -1.26 -1.10 135.00 135.79 1x5k s PRO 43 Ca 0.08 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1x5k s PRO 43 Cb 0.05 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.70 1x5k s PRO 43 CO -0.08 -0.94 1.09 -1.25 0.04 0.00 0.00 177.00 175.86 1x5k s PRO 44 N -3.48 1.57 0.35 0.56 0.04 -1.26 -4.27 135.00 128.51 1x5k s PRO 44 Ca 0.71 0.93 0.22 0.00 0.04 0.00 0.00 61.00 62.91 1x5k s PRO 44 Cb -0.23 -1.84 0.21 0.00 0.04 0.00 0.00 34.50 32.68 1x5k s PRO 44 CO 0.30 -2.06 1.40 0.77 0.04 0.00 0.00 177.00 177.46 1x5k h SER 45 N -1.42 0.00 -1.00 6.66 0.02 -1.90 -3.29 113.55 112.62 1x5k h SER 45 Ca -0.48 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.82 1x5k h SER 45 Cb 1.27 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.51 1x5k h SER 45 CO 0.53 0.04 0.83 -0.62 -1.14 0.00 0.00 176.83 176.47 1x5k n GLU 46 N -2.97 2.65 -0.35 3.45 1.02 -1.26 -4.69 120.64 118.48 1x5k n GLU 46 Ca 0.02 -3.27 0.24 0.00 -0.02 0.00 0.00 57.16 54.14 1x5k n GLU 46 Cb 0.55 -2.28 0.49 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.88 2.12 -3.41 0.62 0.00 -1.93 -3.39 119.26 115.14 1x5k h ALA 47 Ca 0.61 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1x5k h ALA 47 Cb 1.07 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1x5k h ALA 47 CO 1.53 -0.64 0.00 0.09 0.00 0.00 0.00 179.25 180.23 1x5k n ASN 48 N -4.82 -0.49 0.00 0.00 3.02 -1.26 -4.13 115.26 107.58 1x5k n ASN 48 Ca 0.29 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1x5k n ASN 48 Cb 0.96 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 -0.24 3.50 3.54 7.41 0.00 -1.26 -3.42 105.19 114.71 1x5k n GLY 49 Ca 0.00 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 1x5k n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5k n LYS 50 N -0.91 1.04 -3.52 1.61 3.00 -1.26 -4.93 118.16 113.19 1x5k n LYS 50 Ca 0.00 0.37 -0.39 0.00 -0.00 0.00 0.00 58.31 58.29 1x5k n LYS 50 Cb 0.00 -1.71 -0.10 0.00 0.00 0.00 0.00 35.03 33.22 1x5k n LYS 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1x5k s ILE 51 N -1.16 5.26 -0.07 3.15 -1.09 -1.26 -4.59 121.20 121.44 1x5k s ILE 51 Ca 0.61 0.06 -0.26 0.00 -2.23 0.00 0.00 60.65 58.83 1x5k s ILE 51 Cb -0.69 -3.66 -0.23 0.00 -1.58 0.00 0.00 42.46 36.30 1x5k s ILE 51 CO 0.59 0.10 1.02 0.71 -1.23 0.00 0.00 174.94 176.13 1x5k h THR 52 N 5.44 1.58 -0.46 2.92 1.35 -1.89 -3.46 112.91 118.39 1x5k h THR 52 Ca -0.33 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1x5k h THR 52 Cb 1.17 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.36 1x5k h THR 52 CO 0.61 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.97 1x5k n GLY 53 N 0.96 2.39 3.28 5.82 0.00 -1.15 -4.30 105.19 112.19 1x5k n GLY 53 Ca -0.09 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1x5k n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5k s TYR 54 N -2.14 -0.16 -0.02 1.61 1.51 -1.25 -2.79 117.35 114.12 1x5k s TYR 54 Ca 0.00 -0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.11 1x5k s TYR 54 Cb 0.00 0.16 -0.01 0.00 -0.11 0.00 0.00 41.96 41.99 1x5k s TYR 54 CO 0.00 -0.57 -0.22 0.42 -1.11 0.00 0.00 175.55 174.07 1x5k s ILE 55 N -2.90 1.74 -0.11 2.71 1.01 -0.32 -0.34 121.20 122.99 1x5k s ILE 55 Ca -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1x5k s ILE 55 Cb 0.00 -1.45 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 1x5k s ILE 55 CO -0.06 0.49 -0.21 -0.63 0.00 0.00 0.00 174.94 174.54 1x5k s ILE 56 N -0.41 2.35 -0.16 2.92 1.01 -0.18 -1.83 121.20 124.90 1x5k s ILE 56 Ca 0.06 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1x5k s ILE 56 Cb -0.09 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1x5k s ILE 56 CO 0.00 0.55 -0.19 -0.31 0.00 0.00 0.00 174.94 174.99 1x5k s TYR 57 N 0.33 2.73 -0.02 3.97 1.51 -0.49 -0.36 117.35 125.02 1x5k s TYR 57 Ca -0.16 -1.35 0.02 0.00 -1.01 0.00 0.00 57.07 54.57 1x5k s TYR 57 Cb -0.17 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.81 1x5k s TYR 57 CO 0.08 -0.64 -0.08 1.52 -1.11 0.00 0.00 175.55 175.32 1x5k s TYR 58 N 0.97 0.83 -0.03 2.71 -0.85 -1.25 -1.38 117.35 118.36 1x5k s TYR 58 Ca -0.03 -0.19 -0.23 0.00 -0.52 0.00 0.00 57.07 56.10 1x5k s TYR 58 Cb -0.15 -0.58 0.05 0.00 0.38 0.00 0.00 41.96 41.66 1x5k s TYR 58 CO -0.05 -0.07 0.51 0.45 -1.52 0.00 0.00 175.55 174.88 1x5k s SER 59 N 0.07 -0.44 0.24 -0.18 0.15 -1.15 -3.58 113.70 108.81 1x5k s SER 59 Ca -0.01 0.40 -0.07 0.00 0.70 0.00 0.00 55.95 56.97 1x5k s SER 59 Cb -0.07 0.44 0.23 0.00 -1.71 0.00 0.00 66.02 64.91 1x5k s SER 59 CO 0.00 -0.55 1.91 0.71 1.20 0.00 0.00 173.24 176.51 1x5k h THR 60 N 3.35 1.24 -3.41 6.45 1.35 -1.90 -3.23 112.91 116.76 1x5k h THR 60 Ca -0.28 -0.46 -0.54 0.00 -0.55 0.00 0.00 66.41 64.58 1x5k h THR 60 Cb 1.16 -0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 67.43 1x5k h THR 60 CO 0.40 0.24 0.01 -1.81 -0.25 0.00 0.00 175.52 174.10 1x5k s ASP 61 N -6.07 6.98 0.01 5.36 1.01 -1.26 -4.74 116.67 117.95 1x5k s ASP 61 Ca -0.13 1.26 0.22 0.00 0.71 0.00 0.00 52.55 54.61 1x5k s ASP 61 Cb 0.17 -2.36 -0.09 0.00 1.01 0.00 0.00 42.92 41.65 1x5k s ASP 61 CO 0.81 0.11 0.94 0.55 0.21 0.00 0.00 175.17 177.79 1x5k n VAL 62 N 0.95 0.03 0.43 -1.27 3.14 -1.26 -4.17 118.33 116.18 1x5k n VAL 62 Ca -0.05 -0.10 0.07 0.00 -2.96 0.00 0.00 64.34 61.30 1x5k n VAL 62 Cb 0.51 0.64 -0.09 0.00 -1.06 0.00 0.00 33.84 33.84 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 -1.67 1.01 -4.61 6.55 4.13 -1.26 -5.00 115.26 114.41 1x5k n ASN 63 Ca 0.03 -0.54 -0.48 0.00 1.68 0.00 0.00 54.58 55.27 1x5k n ASN 63 Cb 0.38 1.24 -0.04 0.00 -1.54 0.00 0.00 39.78 39.82 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x5k n ALA 64 N -1.57 -0.16 -1.57 5.41 0.00 -1.26 -4.80 120.51 116.55 1x5k n ALA 64 Ca 0.01 0.45 -0.51 0.00 0.00 0.00 0.00 53.44 53.38 1x5k n ALA 64 Cb 0.28 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 1x5k n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x5k n GLU 65 N 1.92 0.97 -0.35 0.00 1.02 -1.26 -4.73 120.64 118.21 1x5k n GLU 65 Ca 0.14 0.35 0.36 0.00 -0.02 0.00 0.00 57.16 57.99 1x5k n GLU 65 Cb 0.26 -1.89 0.62 0.00 -0.02 0.00 0.00 31.44 30.41 1x5k n GLU 65 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1x5k h ILE 66 N 2.93 0.08 -0.31 -3.67 6.09 -1.96 1.20 117.51 121.87 1x5k h ILE 66 Ca -0.46 0.00 -0.12 0.00 -1.37 0.00 0.00 64.86 62.91 1x5k h ILE 66 Cb 1.35 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 1x5k h ILE 66 CO 0.72 0.00 -0.29 1.12 -3.07 0.00 0.00 178.15 176.63 1x5k h HIS 67 N 0.00 0.89 0.00 2.19 2.07 -2.00 -2.87 115.15 115.43 1x5k h HIS 67 Ca 0.61 -0.26 -0.01 0.00 -2.85 0.00 0.00 60.37 57.86 1x5k h HIS 67 Cb 2.95 -0.19 -0.00 0.00 2.57 0.00 0.00 27.41 32.74 1x5k h HIS 67 CO 0.00 1.02 -0.03 0.22 -3.07 0.00 0.00 177.93 176.07 1x5k h ASP 68 N 0.50 0.00 -3.98 3.10 1.82 0.12 -3.43 116.42 114.56 1x5k h ASP 68 Ca 0.05 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.18 1x5k h ASP 68 Cb 0.86 0.00 0.06 0.00 0.68 0.00 0.00 39.33 40.94 1x5k h ASP 68 CO 0.07 0.03 0.51 0.26 -1.61 0.00 0.00 179.24 178.50 1x5k s TRP 69 N -4.37 2.91 0.57 0.28 0.52 -1.08 -5.01 118.94 112.76 1x5k s TRP 69 Ca -0.04 1.52 -0.16 0.00 0.02 0.00 0.00 56.10 57.44 1x5k s TRP 69 Cb 0.14 -3.43 -0.05 0.00 -1.15 0.00 0.00 33.47 28.98 1x5k s TRP 69 CO 0.52 -1.56 1.03 0.54 0.02 0.00 0.00 176.95 177.51 1x5k s VAL 70 N -1.46 4.06 -0.34 4.03 0.11 -1.24 -4.95 120.40 120.63 1x5k s VAL 70 Ca 0.61 0.97 -0.05 0.00 -2.93 0.00 0.00 61.98 60.58 1x5k s VAL 70 Cb -0.31 -3.50 0.05 0.00 -1.53 0.00 0.00 36.38 31.09 1x5k s VAL 70 CO 0.38 -0.59 0.08 -0.63 -3.33 0.00 0.00 175.10 171.02 1x5k s ILE 71 N -2.54 3.51 -0.76 7.04 1.01 -1.26 -3.90 121.20 124.29 1x5k s ILE 71 Ca 0.62 -1.30 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1x5k s ILE 71 Cb -0.14 -3.03 0.19 0.00 0.01 0.00 0.00 42.46 39.49 1x5k s ILE 71 CO 0.36 -0.21 0.62 -1.61 0.00 0.00 0.00 174.94 174.10 1x5k s GLU 72 N 1.33 3.02 0.33 2.79 0.41 0.51 -4.96 118.70 122.13 1x5k s GLU 72 Ca -0.02 -2.75 -0.28 0.00 -0.41 0.00 0.00 54.97 51.51 1x5k s GLU 72 Cb -0.20 -3.96 -0.10 0.00 -1.78 0.00 0.00 34.13 28.09 1x5k s GLU 72 CO 0.01 -1.22 1.22 -1.25 -0.49 0.00 0.00 175.26 173.53 1x5k s PRO 73 N -0.42 4.38 -0.21 0.39 0.04 -1.26 -1.01 135.00 136.90 1x5k s PRO 73 Ca 0.20 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.23 1x5k s PRO 73 Cb -0.15 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 1x5k s PRO 73 CO -0.07 -0.10 -0.02 0.08 0.04 0.00 0.00 177.00 176.93 1x5k s VAL 74 N -1.20 3.68 0.68 -0.36 1.01 0.54 -4.95 120.40 119.80 1x5k s VAL 74 Ca 0.49 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1x5k s VAL 74 Cb -0.36 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 1x5k s VAL 74 CO 0.47 0.42 1.05 0.68 0.00 0.00 0.00 175.10 177.72 1x5k s VAL 75 N 1.24 4.20 0.10 2.92 -7.23 -1.26 -3.74 120.40 116.63 1x5k s VAL 75 Ca 0.03 0.71 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1x5k s VAL 75 Cb -0.14 -3.53 0.00 0.00 0.56 0.00 0.00 36.38 33.26 1x5k s VAL 75 CO 0.00 -0.93 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 1x5k n GLY 76 N -2.22 -0.99 1.65 2.32 0.00 -1.26 -3.47 105.19 101.21 1x5k n GLY 76 Ca 0.07 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.67 5.09 -4.78 1.61 0.23 -1.26 -4.47 115.26 108.00 1x5k n ASN 77 Ca 0.00 -2.76 -0.37 0.00 -0.53 0.00 0.00 54.58 50.92 1x5k n ASN 77 Cb 0.20 -0.91 -0.03 0.00 -2.08 0.00 0.00 39.78 36.96 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1x5k s ARG 78 N -1.25 4.06 -0.03 -3.83 3.52 -1.23 -4.96 118.95 115.23 1x5k s ARG 78 Ca 0.21 1.59 0.06 0.00 -0.13 0.00 0.00 55.73 57.46 1x5k s ARG 78 Cb 0.17 -2.51 0.11 0.00 -1.56 0.00 0.00 34.95 31.15 1x5k s ARG 78 CO 0.01 -0.25 1.07 1.28 -0.81 0.00 0.00 175.30 176.60 1x5k n LEU 79 N -0.17 2.20 -3.93 -0.88 4.77 -1.26 -4.77 117.00 112.96 1x5k n LEU 79 Ca 0.06 -2.28 -0.14 0.00 -0.03 0.00 0.00 56.01 53.62 1x5k n LEU 79 Cb 0.49 -0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1x5k n LEU 79 CO 0.46 0.57 -0.38 0.28 -1.33 0.00 0.00 177.39 176.99 1x5k s THR 80 N -1.48 0.24 0.05 -5.08 -1.32 -1.26 -1.78 115.64 105.00 1x5k s THR 80 Ca 0.10 -0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.35 1x5k s THR 80 Cb 0.08 -0.23 -0.03 0.00 -1.51 0.00 0.00 72.50 70.82 1x5k s THR 80 CO 0.02 -0.02 -0.10 -2.28 -2.21 0.00 0.00 174.62 170.03 1x5k s HIS 81 N -0.29 0.85 -0.32 9.09 2.46 -1.15 -4.97 115.29 120.96 1x5k s HIS 81 Ca -0.01 -0.47 0.01 0.00 0.47 0.00 0.00 55.06 55.05 1x5k s HIS 81 Cb -0.03 -0.49 0.08 0.00 -0.13 0.00 0.00 32.58 32.01 1x5k s HIS 81 CO -0.00 -0.04 0.03 -0.65 -2.47 0.00 0.00 174.74 171.61 1x5k s GLN 82 N -1.58 2.03 -0.23 2.88 -0.21 -1.26 -1.84 119.66 119.46 1x5k s GLN 82 Ca -0.07 -1.57 -0.10 0.00 0.02 0.00 0.00 55.36 53.64 1x5k s GLN 82 Cb -0.10 -3.20 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 1x5k s GLN 82 CO 0.01 -0.79 0.15 0.42 -2.12 0.00 0.00 175.29 172.96 1x5k s ILE 83 N 1.10 5.37 0.35 1.08 1.01 -0.79 -4.93 121.20 124.39 1x5k s ILE 83 Ca 0.01 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1x5k s ILE 83 Cb -0.20 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.79 1x5k s ILE 83 CO -0.05 0.37 0.12 0.00 0.00 0.00 0.00 174.94 175.39 1x5k n GLN 84 N 4.07 1.08 -3.25 2.79 6.02 -1.26 -1.47 117.38 125.35 1x5k n GLN 84 Ca -0.15 -2.38 -0.23 0.00 -0.01 0.00 0.00 57.00 54.22 1x5k n GLN 84 Cb 0.52 0.47 0.05 0.00 1.02 0.00 0.00 30.24 32.30 1x5k n GLN 84 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1x5k n GLU 85 N -1.07 -6.03 -3.94 -1.09 1.02 -1.19 -4.92 120.64 103.42 1x5k n GLU 85 Ca -0.08 0.87 -0.29 0.00 -0.02 0.00 0.00 57.16 57.64 1x5k n GLU 85 Cb 0.42 -5.81 -0.04 0.00 -0.02 0.00 0.00 31.44 26.00 1x5k n GLU 85 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x5k s LEU 86 N -6.93 4.33 0.48 -4.62 1.43 -0.78 -5.08 118.68 107.50 1x5k s LEU 86 Ca 0.42 0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 53.53 1x5k s LEU 86 Cb -0.19 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.03 1x5k s LEU 86 CO 0.52 0.11 1.00 -0.89 0.23 0.00 0.00 176.35 177.32 1x5k s THR 87 N -1.62 4.15 0.59 5.49 2.01 -1.26 -4.60 115.64 120.40 1x5k s THR 87 Ca 0.35 1.25 0.07 0.00 0.31 0.00 0.00 61.69 63.66 1x5k s THR 87 Cb -0.12 -3.55 0.09 0.00 0.01 0.00 0.00 72.50 68.93 1x5k s THR 87 CO 0.28 -0.38 0.81 -0.76 -0.69 0.00 0.00 174.62 173.89 1x5k s LEU 88 N -3.58 3.14 -1.49 4.42 1.43 -1.26 -4.49 118.68 116.85 1x5k s LEU 88 Ca 0.63 -0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 1x5k s LEU 88 Cb -0.12 -1.88 0.13 0.00 0.03 0.00 0.00 46.19 44.35 1x5k s LEU 88 CO 0.21 -1.39 0.32 -0.67 0.23 0.00 0.00 176.35 175.05 1x5k n ASP 89 N -2.34 -0.69 -3.71 2.29 2.03 -1.24 -4.88 116.55 108.00 1x5k n ASP 89 Ca 0.14 -1.07 -0.13 0.00 0.52 0.00 0.00 54.79 54.26 1x5k n ASP 89 Cb 0.61 -1.35 -0.13 0.00 -0.72 0.00 0.00 41.12 39.53 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 -3.36 -0.15 -0.38 5.18 2.01 -1.26 -4.99 115.64 112.69 1x5k s THR 90 Ca 0.45 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.35 1x5k s THR 90 Cb -0.26 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 1x5k s THR 90 CO 0.86 0.08 1.72 -2.16 -0.69 0.00 0.00 174.62 174.42 1x5k s PRO 91 N 1.60 3.32 -0.19 4.92 0.04 -1.26 -3.07 135.00 140.36 1x5k s PRO 91 Ca -0.06 1.23 -0.08 0.00 0.04 0.00 0.00 61.00 62.13 1x5k s PRO 91 Cb -0.11 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1x5k s PRO 91 CO -0.09 -1.88 0.08 0.71 0.04 0.00 0.00 177.00 175.87 1x5k s TYR 92 N 6.78 3.31 -0.33 0.56 1.51 -1.06 -4.86 117.35 123.26 1x5k s TYR 92 Ca 0.74 0.16 -0.14 0.00 -1.01 0.00 0.00 57.07 56.83 1x5k s TYR 92 Cb -0.19 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1x5k s TYR 92 CO 0.32 0.21 0.29 0.71 -1.11 0.00 0.00 175.55 175.97 1x5k s TYR 93 N 0.33 3.22 0.22 2.71 1.51 -1.22 -1.82 117.35 122.30 1x5k s TYR 93 Ca 0.05 -0.03 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 1x5k s TYR 93 Cb -0.12 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.14 1x5k s TYR 93 CO -0.01 -0.35 0.13 -0.06 -1.11 0.00 0.00 175.55 174.15 1x5k s PHE 94 N 1.88 3.02 -0.12 2.71 0.40 -0.85 -2.91 117.98 122.11 1x5k s PHE 94 Ca 0.09 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.19 1x5k s PHE 94 Cb -0.17 -1.39 0.03 0.00 0.51 0.00 0.00 43.02 42.00 1x5k s PHE 94 CO 0.11 0.54 0.34 0.15 0.70 0.00 0.00 175.22 177.06 1x5k s LYS 95 N -3.53 0.43 0.17 0.44 1.02 -0.48 -0.28 119.74 117.52 1x5k s LYS 95 Ca 0.31 0.43 0.10 0.00 0.02 0.00 0.00 55.97 56.83 1x5k s LYS 95 Cb -0.08 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 1x5k s LYS 95 CO 0.23 -0.06 -0.17 0.42 -0.92 0.00 0.00 175.35 174.85 1x5k s ILE 96 N 0.06 2.77 -0.20 2.17 1.01 -1.26 -1.39 121.20 124.36 1x5k s ILE 96 Ca -0.01 -1.78 -0.16 0.00 0.00 0.00 0.00 60.65 58.70 1x5k s ILE 96 Cb -0.03 -2.33 0.06 0.00 0.01 0.00 0.00 42.46 40.17 1x5k s ILE 96 CO 0.01 -0.07 0.52 -1.58 0.00 0.00 0.00 174.94 173.82 1x5k s GLN 97 N -2.61 0.57 -0.22 2.79 0.74 -0.76 -2.11 119.66 118.06 1x5k s GLN 97 Ca 0.22 0.81 -0.09 0.00 0.05 0.00 0.00 55.36 56.34 1x5k s GLN 97 Cb -0.09 0.20 -0.05 0.00 1.10 0.00 0.00 33.01 34.18 1x5k s GLN 97 CO 0.12 -0.10 0.13 0.00 -0.55 0.00 0.00 175.29 174.88 1x5k s ALA 98 N 0.72 3.54 0.10 1.58 0.00 -1.26 -1.17 121.76 125.28 1x5k s ALA 98 Ca -0.04 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1x5k s ALA 98 Cb -0.05 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1x5k s ALA 98 CO -0.05 -0.07 -0.17 -0.98 0.00 0.00 0.00 175.76 174.49 1x5k s ARG 99 N 0.82 1.01 0.43 0.00 1.70 -1.12 -2.72 118.95 119.06 1x5k s ARG 99 Ca 0.06 -1.12 0.03 0.00 -0.47 0.00 0.00 55.73 54.23 1x5k s ARG 99 Cb -0.13 -1.09 -0.03 0.00 -0.57 0.00 0.00 34.95 33.13 1x5k s ARG 99 CO 0.02 0.24 0.08 -0.80 -1.08 0.00 0.00 175.30 173.76 1x5k s ASN 100 N -2.01 3.19 0.45 -2.89 0.01 0.09 -2.92 114.94 110.86 1x5k s ASN 100 Ca 0.05 -1.62 0.30 0.00 -0.71 0.00 0.00 52.86 50.88 1x5k s ASN 100 Cb -0.09 0.41 1.40 0.00 0.41 0.00 0.00 41.25 43.38 1x5k s ASN 100 CO 0.03 -0.85 1.67 -1.28 -1.51 0.00 0.00 177.10 175.16 1x5k h SER 101 N 1.69 0.23 0.00 -1.22 0.87 -1.97 -2.32 113.55 110.83 1x5k h SER 101 Ca -0.39 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1x5k h SER 101 Cb 1.28 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1x5k h SER 101 CO 0.64 -0.08 0.00 0.29 -0.53 0.00 0.00 176.83 177.15 1x5k n LYS 102 N -4.54 0.00 0.00 2.24 4.01 -1.26 -5.05 118.16 113.56 1x5k n LYS 102 Ca 0.34 0.32 0.00 0.00 -0.51 0.00 0.00 58.31 58.46 1x5k n LYS 102 Cb 1.35 -1.17 0.00 0.00 -0.51 0.00 0.00 35.03 34.69 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 0.07 3.51 3.54 0.72 0.00 -0.88 -5.11 105.19 107.04 1x5k n GLY 103 Ca 0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1x5k n GLY 103 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x5k s MET 104 N 2.07 1.93 0.00 1.61 -1.94 -1.26 -0.73 119.30 120.98 1x5k s MET 104 Ca 0.00 -1.45 0.00 0.00 -1.71 0.00 0.00 55.69 52.53 1x5k s MET 104 Cb 0.00 -2.02 0.00 0.00 2.01 0.00 0.00 34.83 34.82 1x5k s MET 104 CO 0.00 0.39 0.00 0.41 -0.01 0.00 0.00 175.02 175.81 1x5k n GLY 105 N -0.25 3.01 3.73 -0.03 0.00 -1.10 -4.82 105.19 105.73 1x5k n GLY 105 Ca -0.09 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 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 2.75 1.56 -0.23 1.61 0.04 -1.25 -4.90 135.00 134.57 1x5k s PRO 106 Ca 0.00 0.93 -0.07 0.00 0.04 0.00 0.00 61.00 61.89 1x5k s PRO 106 Cb 0.00 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1x5k s PRO 106 CO 0.00 -2.06 0.07 -1.64 0.04 0.00 0.00 177.00 173.41 1x5k s MET 107 N -4.93 3.73 0.95 4.56 -1.94 -1.26 -4.56 119.30 115.85 1x5k s MET 107 Ca 0.63 -0.45 -0.12 0.00 -1.71 0.00 0.00 55.69 54.04 1x5k s MET 107 Cb -0.18 -3.29 0.07 0.00 2.01 0.00 0.00 34.83 33.44 1x5k s MET 107 CO 0.57 -0.07 0.60 -1.13 -0.01 0.00 0.00 175.02 174.98 1x5k n SER 108 N 4.56 -1.44 -4.77 3.03 3.41 -0.90 -4.90 113.62 112.61 1x5k n SER 108 Ca -0.16 0.34 -0.40 0.00 -0.26 0.00 0.00 58.87 58.39 1x5k n SER 108 Cb 0.52 -1.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.18 1x5k n SER 108 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1x5k s GLU 109 N -3.91 4.19 -0.22 4.33 -1.05 -1.26 -4.68 118.70 116.10 1x5k s GLU 109 Ca 0.60 2.27 -0.36 0.00 -0.15 0.00 0.00 54.97 57.33 1x5k s GLU 109 Cb -0.21 -2.96 -0.12 0.00 -0.44 0.00 0.00 34.13 30.39 1x5k s GLU 109 CO 0.65 -0.35 1.95 0.00 0.95 0.00 0.00 175.26 178.47 1x5k n ALA 110 N 0.53 0.71 -2.84 -0.84 0.00 -1.26 -4.80 120.51 112.02 1x5k n ALA 110 Ca 0.01 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 1x5k n ALA 110 Cb 0.42 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.36 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 5.08 4.45 -0.68 0.00 1.01 0.62 -4.86 120.40 126.01 1x5k s VAL 111 Ca 0.99 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 62.36 1x5k s VAL 111 Cb -0.82 -4.60 0.01 0.00 0.00 0.00 0.00 36.38 30.98 1x5k s VAL 111 CO 0.54 -1.30 1.45 -1.58 0.00 0.00 0.00 175.10 174.21 1x5k s GLN 112 N 3.74 3.06 -0.25 2.72 0.74 -1.26 -2.01 119.66 126.40 1x5k s GLN 112 Ca 0.22 0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.70 1x5k s GLN 112 Cb -0.17 -4.23 0.03 0.00 1.10 0.00 0.00 33.01 29.74 1x5k s GLN 112 CO 0.11 -2.27 -0.07 0.12 -0.55 0.00 0.00 175.29 172.63 1x5k s PHE 113 N 6.67 3.08 -0.15 1.67 2.19 -0.76 -4.97 117.98 125.71 1x5k s PHE 113 Ca 0.46 -1.67 -0.29 0.00 0.33 0.00 0.00 56.93 55.76 1x5k s PHE 113 Cb -0.10 -2.04 -0.02 0.00 -1.31 0.00 0.00 43.02 39.55 1x5k s PHE 113 CO 0.18 -0.76 1.41 0.50 1.83 0.00 0.00 175.22 178.38 1x5k s ARG 114 N 1.29 4.14 0.48 10.12 3.52 -1.26 -2.57 118.95 134.68 1x5k s ARG 114 Ca -0.01 1.77 -0.24 0.00 -0.13 0.00 0.00 55.73 57.12 1x5k s ARG 114 Cb -0.17 -3.86 -0.08 0.00 -1.56 0.00 0.00 34.95 29.28 1x5k s ARG 114 CO -0.05 -0.85 1.31 0.25 -0.81 0.00 0.00 175.30 175.15 1x5k n THR 115 N 5.59 3.08 -0.18 4.11 -2.24 -1.17 -4.98 114.28 118.49 1x5k n THR 115 Ca 0.15 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1x5k n THR 115 Cb 0.44 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1x5k n THR 115 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x5k n PRO 116 N -0.41 0.25 -4.08 -0.78 -0.04 -1.26 -3.94 135.00 124.74 1x5k n PRO 116 Ca 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1x5k n PRO 116 Cb 0.42 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.78 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 -1.11 0.59 0.00 0.54 -0.14 -1.26 -3.61 119.74 114.75 1x5k s LYS 117 Ca 0.00 -1.08 -0.03 0.00 -1.36 0.00 0.00 55.97 53.50 1x5k s LYS 117 Cb 0.00 0.05 -0.14 0.00 -1.68 0.00 0.00 37.83 36.06 1x5k s LYS 117 CO 0.00 -0.06 2.80 0.00 -0.76 0.00 0.00 175.35 177.33 1x5k n ALA 118 N 0.50 5.17 -1.37 5.17 0.00 -1.26 -4.58 120.51 124.14 1x5k n ALA 118 Ca -0.16 -0.94 -0.24 0.00 0.00 0.00 0.00 53.44 52.09 1x5k n ALA 118 Cb 0.59 -1.70 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 1x5k n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5k n SER 119 N 2.04 6.37 -0.89 0.00 2.88 -1.26 -4.99 113.62 117.76 1x5k n SER 119 Ca 0.22 -3.13 0.11 0.00 -1.33 0.00 0.00 58.87 54.75 1x5k n SER 119 Cb 0.71 -1.22 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 1x5k n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5k n GLY 120 N 0.94 -1.20 3.77 0.46 0.00 -1.26 -4.76 105.19 103.14 1x5k n GLY 120 Ca 0.46 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1x5k n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 121 N -2.13 3.31 -0.38 1.61 0.04 -1.26 -5.00 135.00 131.18 1x5k s PRO 121 Ca 0.00 1.59 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 1x5k s PRO 121 Cb 0.00 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1x5k s PRO 121 CO 0.00 -0.88 0.50 -1.12 0.04 0.00 0.00 177.00 175.54 1x5k s SER 122 N -1.84 6.27 0.02 6.66 0.01 -1.26 -5.04 113.70 118.52 1x5k s SER 122 Ca 0.72 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1x5k s SER 122 Cb -0.24 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 1x5k s SER 122 CO 0.28 -0.54 -0.04 -0.94 0.41 0.00 0.00 173.24 172.41 1x5k s SER 123 N 1.81 0.33 0.00 2.44 1.04 -1.26 -5.25 113.70 112.81 1x5k s SER 123 Ca 0.17 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1x5k s SER 123 Cb -0.16 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1x5k s SER 123 CO 0.14 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.69