#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p0k s GLU 22 N 0.00 4.24 0.15 5.56 2.02 -1.26 -4.96 118.70 124.44 1p0k s GLU 22 Ca 0.00 0.94 0.26 0.00 0.02 0.00 0.00 54.97 56.19 1p0k s GLU 22 Cb 0.00 -2.61 0.69 0.00 0.10 0.00 0.00 34.13 32.31 1p0k s GLU 22 CO 0.00 0.23 1.63 0.25 0.02 0.00 0.00 175.26 177.39 1p0k n THR 23 N 0.13 0.42 -0.07 3.63 -2.24 -1.26 -4.69 114.28 110.20 1p0k n THR 23 Ca 0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1p0k n THR 23 Cb 0.52 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1p0k n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p0k n GLY 24 N 1.35 1.87 0.30 3.38 0.00 -1.26 -0.99 105.19 109.84 1p0k n GLY 24 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.24 1p0k n GLY 24 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1p0k h LEU 25 N 0.00 0.00 -0.81 0.99 3.38 -1.96 -0.76 115.31 116.15 1p0k h LEU 25 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p0k h LEU 25 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1p0k h LEU 25 CO 0.00 0.04 0.00 0.44 0.09 0.00 0.00 178.44 179.01 1p0k h ASP 26 N 0.00 0.00 -0.03 -0.43 3.45 -2.00 -1.81 116.42 115.60 1p0k h ASP 26 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1p0k h ASP 26 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1p0k h ASP 26 CO 0.01 0.00 0.00 0.47 -1.57 0.00 0.00 179.24 178.15 1p0k n ASP 27 N -2.33 0.43 -4.41 6.45 10.43 -0.29 -4.77 116.55 122.06 1p0k n ASP 27 Ca 0.02 -1.40 -0.33 0.00 2.57 0.00 0.00 54.79 55.64 1p0k n ASP 27 Cb 0.23 -0.02 -0.13 0.00 1.84 0.00 0.00 41.12 43.04 1p0k n ASP 27 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1p0k s ILE 28 N -1.96 3.39 -0.12 0.53 1.09 -0.68 -0.78 121.20 122.67 1p0k s ILE 28 Ca 0.33 -0.53 -0.01 0.00 -1.10 0.00 0.00 60.65 59.35 1p0k s ILE 28 Cb 0.16 -2.47 0.03 0.00 -1.06 0.00 0.00 42.46 39.12 1p0k s ILE 28 CO 0.26 0.50 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.65 1p0k s THR 29 N 0.51 0.99 0.52 2.92 2.01 -0.70 -4.99 115.64 116.91 1p0k s THR 29 Ca -0.06 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 1p0k s THR 29 Cb -0.15 -1.06 -0.06 0.00 0.01 0.00 0.00 72.50 71.24 1p0k s THR 29 CO 0.03 0.31 1.17 -0.36 -0.69 0.00 0.00 174.62 175.08 1p0k s PHE 30 N 1.71 2.70 -0.16 4.92 0.40 -1.26 -0.53 117.98 125.75 1p0k s PHE 30 Ca 0.04 1.53 -0.28 0.00 -0.60 0.00 0.00 56.93 57.62 1p0k s PHE 30 Cb -0.13 -3.38 -0.01 0.00 0.51 0.00 0.00 43.02 40.01 1p0k s PHE 30 CO -0.08 -1.70 0.97 0.08 0.70 0.00 0.00 175.22 175.19 1p0k s VAL 31 N -1.63 4.78 0.28 -0.44 1.01 -0.46 -4.85 120.40 119.08 1p0k s VAL 31 Ca 0.70 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 64.30 1p0k s VAL 31 Cb -0.28 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.73 1p0k s VAL 31 CO 0.32 -0.05 1.63 -2.28 0.00 0.00 0.00 175.10 174.72 1p0k s HIS 32 N 2.44 2.76 -0.29 5.22 2.46 -1.26 -4.88 115.29 121.75 1p0k s HIS 32 Ca 0.44 0.69 -0.07 0.00 0.47 0.00 0.00 55.06 56.59 1p0k s HIS 32 Cb -0.17 -4.10 0.01 0.00 -0.13 0.00 0.00 32.58 28.19 1p0k s HIS 32 CO 0.13 -3.79 0.07 0.08 -2.47 0.00 0.00 174.74 168.76 1p0k s VAL 33 N 0.20 3.96 0.20 0.89 1.01 -1.26 -5.00 120.40 120.40 1p0k s VAL 33 Ca 0.66 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1p0k s VAL 33 Cb -0.49 -3.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 1p0k s VAL 33 CO 0.45 0.11 1.45 0.28 0.00 0.00 0.00 175.10 177.40 1p0k h SER 34 N 8.23 0.16 -2.13 3.32 0.02 -1.94 -3.38 113.55 117.82 1p0k h SER 34 Ca -0.32 -0.12 -0.58 0.00 -0.84 0.00 0.00 61.79 59.93 1p0k h SER 34 Cb 1.13 -0.05 -0.41 0.00 0.14 0.00 0.00 62.40 63.21 1p0k h SER 34 CO 0.60 0.88 -0.80 0.18 -1.14 0.00 0.00 176.83 176.55 1p0k n LEU 35 N -3.69 2.56 0.13 5.07 4.77 -1.26 -4.95 117.00 119.63 1p0k n LEU 35 Ca -0.02 -5.22 0.15 0.00 -0.03 0.00 0.00 56.01 50.89 1p0k n LEU 35 Cb 0.75 -0.16 0.70 0.00 -2.33 0.00 0.00 43.42 42.37 1p0k n LEU 35 CO 0.46 2.11 1.14 1.55 -1.33 0.00 0.00 177.39 181.32 1p0k h PRO 36 N 3.90 0.00 -6.28 3.23 0.13 -1.82 -3.46 132.00 127.70 1p0k h PRO 36 Ca 0.15 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.81 1p0k h PRO 36 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1p0k h PRO 36 CO 0.70 0.00 -0.80 -3.47 -0.23 0.00 0.00 178.00 174.20 1p0k n ASP 37 N -4.34 -2.96 -3.85 1.44 4.64 -1.26 -4.56 116.55 105.66 1p0k n ASP 37 Ca 0.04 -0.83 -0.12 0.00 -1.38 0.00 0.00 54.79 52.49 1p0k n ASP 37 Cb 0.37 -3.78 -0.13 0.00 -1.04 0.00 0.00 41.12 36.54 1p0k n ASP 37 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1p0k s LEU 38 N -7.04 1.64 -0.09 -2.67 0.20 -1.26 -5.09 118.68 104.37 1p0k s LEU 38 Ca 0.37 0.14 -0.05 0.00 0.69 0.00 0.00 54.13 55.28 1p0k s LEU 38 Cb -0.19 0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 45.89 1p0k s LEU 38 CO 0.84 -0.07 0.10 0.00 -0.29 0.00 0.00 176.35 176.92 1p0k s ALA 39 N -0.12 3.69 0.52 5.97 0.00 -1.26 -4.95 121.76 125.61 1p0k s ALA 39 Ca -0.02 -0.72 0.33 0.00 0.00 0.00 0.00 51.96 51.56 1p0k s ALA 39 Cb -0.02 -1.79 1.48 0.00 0.00 0.00 0.00 23.12 22.80 1p0k s ALA 39 CO 0.00 0.63 1.82 1.25 0.00 0.00 0.00 175.76 179.46 1p0k h LEU 40 N 4.87 0.06 -0.12 0.00 5.85 -1.96 0.53 115.31 124.54 1p0k h LEU 40 Ca -0.53 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1p0k h LEU 40 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1p0k h LEU 40 CO 0.58 0.01 0.00 -1.84 -0.34 0.00 0.00 178.44 176.85 1p0k n GLU 41 N -4.26 0.17 0.00 1.25 0.00 -1.26 -3.06 120.64 113.48 1p0k n GLU 41 Ca 0.24 0.21 0.12 0.00 0.00 0.00 0.00 57.16 57.73 1p0k n GLU 41 Cb 1.13 -1.73 0.27 0.00 0.00 0.00 0.00 31.44 31.12 1p0k n GLU 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1p0k n GLN 42 N -2.03 0.34 -2.35 3.44 6.02 0.18 -4.90 117.38 118.07 1p0k n GLN 42 Ca 0.05 -0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.41 1p0k n GLN 42 Cb 0.36 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 1p0k n GLN 42 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1p0k s VAL 43 N -2.80 3.97 -0.26 5.09 1.01 -1.17 -4.88 120.40 121.35 1p0k s VAL 43 Ca 0.16 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.43 1p0k s VAL 43 Cb 0.18 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1p0k s VAL 43 CO 0.64 0.01 0.02 -0.62 0.00 0.00 0.00 175.10 175.15 1p0k s ASP 44 N 1.58 4.74 -0.14 3.32 2.15 0.83 -4.99 116.67 124.17 1p0k s ASP 44 Ca 0.60 -0.59 0.17 0.00 0.43 0.00 0.00 52.55 53.16 1p0k s ASP 44 Cb -0.28 -1.81 0.71 0.00 -0.30 0.00 0.00 42.92 41.24 1p0k s ASP 44 CO 0.25 -0.11 1.62 2.30 -0.17 0.00 0.00 175.17 179.06 1p0k n ILE 45 N 4.82 2.01 -2.12 4.11 -5.35 -1.26 -3.24 119.36 118.33 1p0k n ILE 45 Ca -0.16 -1.29 -0.35 0.00 -0.27 0.00 0.00 62.75 60.69 1p0k n ILE 45 Cb 0.49 0.04 0.02 0.00 -1.74 0.00 0.00 39.64 38.45 1p0k n ILE 45 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1p0k s SER 46 N -0.98 5.53 0.06 7.28 1.04 -1.25 -3.56 113.70 121.83 1p0k s SER 46 Ca 0.50 2.15 -0.00 0.00 0.48 0.00 0.00 55.95 59.08 1p0k s SER 46 Cb 0.34 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1p0k s SER 46 CO 0.21 -1.35 0.09 1.07 0.98 0.00 0.00 173.24 174.25 1p0k n THR 47 N -1.59 0.00 -3.89 2.02 5.66 0.34 -4.45 114.28 112.38 1p0k n THR 47 Ca 0.11 -0.32 -0.12 0.00 -3.05 0.00 0.00 64.05 60.68 1p0k n THR 47 Cb 0.51 0.20 -0.14 0.00 -1.55 0.00 0.00 70.33 69.35 1p0k n THR 47 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1p0k s LYS 48 N -2.14 0.03 -0.41 1.09 1.02 -1.26 -1.43 119.74 116.65 1p0k s LYS 48 Ca 0.05 -0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.07 1p0k s LYS 48 Cb -0.00 -0.02 0.11 0.00 -0.52 0.00 0.00 37.83 37.39 1p0k s LYS 48 CO 0.04 0.01 0.13 0.42 -0.92 0.00 0.00 175.35 175.02 1p0k s ILE 49 N -0.02 2.40 0.00 2.17 1.01 -0.37 -4.78 121.20 121.60 1p0k s ILE 49 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 60.65 57.95 1p0k s ILE 49 Cb -0.00 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1p0k s ILE 49 CO -0.00 -0.67 0.00 0.61 0.00 0.00 0.00 174.94 174.88 1p0k n GLY 50 N 3.84 3.53 0.11 6.18 0.00 -1.26 -1.47 105.19 116.11 1p0k n GLY 50 Ca 0.04 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1p0k n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p0k n GLU 51 N 13.22 0.31 -2.84 1.61 2.13 -1.26 -4.93 120.64 128.88 1p0k n GLU 51 Ca 0.00 -0.22 -0.35 0.00 0.66 0.00 0.00 57.16 57.25 1p0k n GLU 51 Cb 0.00 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.15 1p0k n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1p0k s LEU 52 N -2.84 4.18 -0.11 4.31 1.43 -0.54 -5.06 118.68 120.04 1p0k s LEU 52 Ca 0.14 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1p0k s LEU 52 Cb 0.17 -4.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 1p0k s LEU 52 CO 0.70 -0.18 -0.14 -0.44 0.23 0.00 0.00 176.35 176.52 1p0k s SER 53 N -1.86 3.98 -0.02 2.29 0.01 -1.26 -1.24 113.70 115.59 1p0k s SER 53 Ca 0.54 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.54 1p0k s SER 53 Cb -0.14 -1.45 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1p0k s SER 53 CO 0.19 0.20 -0.16 -0.55 0.41 0.00 0.00 173.24 173.34 1p0k s SER 54 N 0.13 1.88 0.06 2.44 0.15 -0.51 -4.99 113.70 112.85 1p0k s SER 54 Ca -0.07 -0.29 0.25 0.00 0.70 0.00 0.00 55.95 56.54 1p0k s SER 54 Cb -0.15 -0.32 1.01 0.00 -1.71 0.00 0.00 66.02 64.86 1p0k s SER 54 CO 0.05 0.17 1.79 -1.54 1.20 0.00 0.00 173.24 174.91 1p0k n SER 55 N 2.86 0.20 -4.18 5.45 3.41 -1.26 -0.50 113.62 119.59 1p0k n SER 55 Ca -0.16 0.53 -0.22 0.00 -0.26 0.00 0.00 58.87 58.76 1p0k n SER 55 Cb 0.54 -0.58 -0.14 0.00 -0.26 0.00 0.00 64.21 63.78 1p0k n SER 55 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1p0k s SER 56 N -3.37 1.97 0.00 4.04 0.15 -1.26 -3.93 113.70 111.30 1p0k s SER 56 Ca 0.11 -0.48 0.18 0.00 0.70 0.00 0.00 55.95 56.46 1p0k s SER 56 Cb 0.15 -0.14 0.51 0.00 -1.71 0.00 0.00 66.02 64.83 1p0k s SER 56 CO 0.48 0.08 1.43 -0.81 1.20 0.00 0.00 173.24 175.61 1p0k n PRO 57 N 1.88 2.32 -4.56 5.44 -0.04 -1.23 -4.64 135.00 134.17 1p0k n PRO 57 Ca -0.18 -2.05 -0.23 0.00 -0.04 0.00 0.00 63.50 61.00 1p0k n PRO 57 Cb 0.54 -1.45 -0.16 0.00 -0.04 0.00 0.00 33.50 32.39 1p0k n PRO 57 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1p0k s ILE 58 N -1.26 1.05 0.24 0.52 1.01 -1.26 -0.24 121.20 121.26 1p0k s ILE 58 Ca 0.38 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.62 1p0k s ILE 58 Cb 0.20 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 1p0k s ILE 58 CO 0.26 0.32 -0.08 0.72 0.00 0.00 0.00 174.94 176.17 1p0k s PHE 59 N 0.34 1.76 -0.13 3.97 -0.12 0.01 -4.34 117.98 119.47 1p0k s PHE 59 Ca -0.07 -0.70 -0.17 0.00 -0.05 0.00 0.00 56.93 55.94 1p0k s PHE 59 Cb -0.12 -0.94 -0.04 0.00 -0.63 0.00 0.00 43.02 41.28 1p0k s PHE 59 CO 0.02 0.24 0.41 0.42 -0.05 0.00 0.00 175.22 176.27 1p0k s ILE 60 N -3.08 5.22 -0.47 -4.49 1.01 -0.48 -1.77 121.20 117.14 1p0k s ILE 60 Ca 0.26 0.82 -0.12 0.00 0.00 0.00 0.00 60.65 61.61 1p0k s ILE 60 Cb 0.02 -3.75 0.10 0.00 0.01 0.00 0.00 42.46 38.84 1p0k s ILE 60 CO 0.09 0.36 0.36 0.20 0.00 0.00 0.00 174.94 175.94 1p0k s ASN 61 N 0.50 5.86 0.64 3.58 0.02 -0.40 -0.62 114.94 124.52 1p0k s ASN 61 Ca 0.23 -1.63 -0.14 0.00 -1.02 0.00 0.00 52.86 50.30 1p0k s ASN 61 Cb -0.14 -2.07 -0.02 0.00 0.02 0.00 0.00 41.25 39.03 1p0k s ASN 61 CO 0.08 -0.66 1.06 0.00 0.02 0.00 0.00 177.10 177.60 1p0k s ALA 62 N 1.48 2.69 0.24 0.60 0.00 0.06 -4.40 121.76 122.44 1p0k s ALA 62 Ca 0.04 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1p0k s ALA 62 Cb -0.25 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1p0k s ALA 62 CO 0.02 -1.00 0.39 -1.64 0.00 0.00 0.00 175.76 173.53 1p0k s MET 63 N -4.43 3.46 0.28 0.00 1.00 -1.26 -3.80 119.30 114.55 1p0k s MET 63 Ca 0.62 -0.59 -0.00 0.00 0.00 0.00 0.00 55.69 55.71 1p0k s MET 63 Cb -0.15 -2.85 0.41 0.00 0.00 0.00 0.00 34.83 32.24 1p0k s MET 63 CO 0.44 0.38 1.80 1.15 0.00 0.00 0.00 175.02 178.79 1p0k h THR 64 N 1.20 1.23 -0.91 2.05 2.02 -1.92 -3.39 112.91 113.20 1p0k h THR 64 Ca -0.50 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 65.75 1p0k h THR 64 Cb 1.22 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1p0k h THR 64 CO 0.63 0.33 -0.01 0.61 0.37 0.00 0.00 175.52 177.45 1p0k n GLY 65 N -0.72 -1.62 0.90 2.16 0.00 -1.26 -4.28 105.19 100.37 1p0k n GLY 65 Ca 0.02 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 44.90 1p0k n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p0k n GLY 66 N -0.14 1.16 7.00 -0.02 0.00 -1.26 -5.06 105.19 106.87 1p0k n GLY 66 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1p0k n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p0k n GLY 67 N 1.33 -1.41 5.12 -0.02 0.00 -1.26 -4.97 105.19 103.97 1p0k n GLY 67 Ca 0.18 -1.29 0.03 0.00 0.00 0.00 0.00 46.02 44.94 1p0k n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p0k n GLY 68 N 0.00 -1.70 0.28 -0.02 0.00 -1.26 -2.78 105.19 99.71 1p0k n GLY 68 Ca 0.00 -1.26 0.17 0.00 0.00 0.00 0.00 46.02 44.93 1p0k n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p0k h LYS 69 N 0.00 0.00 -0.17 1.61 1.79 -1.99 -2.70 116.57 115.11 1p0k h LYS 69 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1p0k h LYS 69 Cb 0.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1p0k h LYS 69 CO 0.00 0.05 -0.08 1.25 -1.08 0.00 0.00 179.45 179.59 1p0k h LEU 70 N 0.00 0.36 -1.14 2.94 5.85 -1.99 -1.14 115.31 120.19 1p0k h LEU 70 Ca -0.00 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 1p0k h LEU 70 Cb 0.43 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1p0k h LEU 70 CO 0.01 0.69 0.09 0.74 -0.34 0.00 0.00 178.44 179.62 1p0k h THR 71 N 0.03 1.21 -0.22 1.05 2.02 -1.32 -0.94 112.91 114.74 1p0k h THR 71 Ca 0.04 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.48 1p0k h THR 71 Cb 0.55 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1p0k h THR 71 CO 0.02 0.28 0.07 0.22 0.37 0.00 0.00 175.52 176.48 1p0k h TYR 72 N 0.67 0.13 -0.10 3.16 3.20 -1.23 0.03 116.97 122.83 1p0k h TYR 72 Ca 0.15 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.88 1p0k h TYR 72 Cb 0.29 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1p0k h TYR 72 CO 0.01 0.06 -0.59 0.93 -1.64 0.00 0.00 178.16 176.93 1p0k h GLU 73 N 0.18 0.34 -0.05 1.82 4.39 -0.84 0.36 114.58 120.78 1p0k h GLU 73 Ca 0.09 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1p0k h GLU 73 Cb 0.06 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1p0k h GLU 73 CO -0.10 0.84 0.02 0.82 -1.16 0.00 0.00 179.01 179.43 1p0k h ILE 74 N 0.26 1.14 -0.75 3.13 2.04 -0.96 -0.31 117.51 122.05 1p0k h ILE 74 Ca -0.00 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1p0k h ILE 74 Cb 1.11 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1p0k h ILE 74 CO 0.10 0.11 0.42 0.78 0.00 0.00 0.00 178.15 179.56 1p0k h ASN 75 N -0.08 0.93 -0.67 1.72 2.35 -0.85 0.17 115.58 119.16 1p0k h ASN 75 Ca 0.02 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1p0k h ASN 75 Cb 0.16 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1p0k h ASN 75 CO -0.00 0.75 0.38 0.50 -1.65 0.00 0.00 177.43 177.41 1p0k h LYS 76 N 1.04 0.93 -0.49 0.81 3.64 -0.74 -0.26 116.57 121.50 1p0k h LYS 76 Ca 0.27 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1p0k h LYS 76 Cb 0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1p0k h LYS 76 CO -0.04 0.69 -0.09 0.77 -2.27 0.00 0.00 179.45 178.50 1p0k h SER 77 N 0.92 0.93 -0.65 4.20 0.02 -0.55 -0.47 113.55 117.94 1p0k h SER 77 Ca 0.24 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1p0k h SER 77 Cb 0.02 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1p0k h SER 77 CO -0.04 1.06 0.37 -0.07 -1.14 0.00 0.00 176.83 177.01 1p0k h LEU 78 N 0.78 0.80 -0.55 5.07 3.38 -0.70 -0.68 115.31 123.41 1p0k h LEU 78 Ca 0.13 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1p0k h LEU 78 Cb 0.64 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1p0k h LEU 78 CO 0.04 0.65 0.19 0.00 0.09 0.00 0.00 178.44 179.42 1p0k h ALA 79 N 1.18 0.72 -0.40 1.53 0.00 -0.84 0.32 119.26 121.78 1p0k h ALA 79 Ca 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1p0k h ALA 79 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1p0k h ALA 79 CO -0.04 0.36 0.15 0.00 0.00 0.00 0.00 179.25 179.72 1p0k h ARG 80 N 0.76 0.60 -0.47 0.00 3.08 -0.76 -0.60 114.38 117.00 1p0k h ARG 80 Ca 0.18 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1p0k h ARG 80 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1p0k h ARG 80 CO -0.01 0.57 0.08 0.00 -1.07 0.00 0.00 179.97 179.54 1p0k h ALA 81 N 1.00 0.62 -0.74 0.04 0.00 -0.96 -1.89 119.26 117.32 1p0k h ALA 81 Ca 0.13 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1p0k h ALA 81 Cb 0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1p0k h ALA 81 CO -0.01 0.34 0.46 0.00 0.00 0.00 0.00 179.25 180.04 1p0k h ALA 82 N 0.96 0.98 -0.70 0.00 0.00 -0.79 0.75 119.26 120.47 1p0k h ALA 82 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1p0k h ALA 82 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1p0k h ALA 82 CO 0.01 0.24 0.26 1.03 0.00 0.00 0.00 179.25 180.79 1p0k h SER 83 N 0.90 0.98 0.19 0.00 0.87 -0.87 0.34 113.55 115.96 1p0k h SER 83 Ca 0.30 -0.18 -0.23 0.00 -1.23 0.00 0.00 61.79 60.45 1p0k h SER 83 Cb 0.05 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1p0k h SER 83 CO -0.12 0.89 -0.94 1.56 -0.53 0.00 0.00 176.83 177.70 1p0k h GLN 84 N 1.00 0.53 0.00 2.24 4.20 -0.84 -3.20 115.11 119.03 1p0k h GLN 84 Ca 0.23 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1p0k h GLN 84 Cb 0.23 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1p0k h GLN 84 CO -0.02 1.17 -0.12 0.00 -0.67 0.00 0.00 178.83 179.19 1p0k h ALA 85 N 0.65 0.93 -0.32 3.87 0.00 -0.81 -3.48 119.26 120.09 1p0k h ALA 85 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1p0k h ALA 85 Cb 1.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1p0k h ALA 85 CO 0.17 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 179.76 1p0k n GLY 86 N 1.26 0.40 3.63 0.00 0.00 0.04 -5.03 105.19 105.50 1p0k n GLY 86 Ca 0.05 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 1p0k n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p0k s ILE 87 N -2.14 3.56 0.58 -0.61 -4.36 -0.80 -4.38 121.20 113.05 1p0k s ILE 87 Ca 0.00 -1.45 -0.17 0.00 -0.26 0.00 0.00 60.65 58.77 1p0k s ILE 87 Cb 0.00 -2.76 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 1p0k s ILE 87 CO 0.00 -0.08 1.09 -2.16 0.24 0.00 0.00 174.94 174.04 1p0k s PRO 88 N -2.81 3.23 -0.12 0.37 0.04 -1.26 -4.56 135.00 129.89 1p0k s PRO 88 Ca 0.26 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1p0k s PRO 88 Cb -0.09 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.46 1p0k s PRO 88 CO 0.17 -0.91 -0.15 -1.17 0.04 0.00 0.00 177.00 174.98 1p0k s LEU 89 N -4.26 1.73 -0.26 -3.56 2.96 -0.48 -1.38 118.68 113.44 1p0k s LEU 89 Ca 0.68 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 54.06 1p0k s LEU 89 Cb -0.20 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 1p0k s LEU 89 CO 0.33 -0.00 0.09 0.00 -1.32 0.00 0.00 176.35 175.45 1p0k s ALA 90 N 1.12 3.19 0.82 5.97 0.00 0.20 -0.60 121.76 132.47 1p0k s ALA 90 Ca -0.03 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 1p0k s ALA 90 Cb -0.14 -2.15 0.08 0.00 0.00 0.00 0.00 23.12 20.91 1p0k s ALA 90 CO -0.04 -0.57 1.11 0.14 0.00 0.00 0.00 175.76 176.39 1p0k s VAL 91 N 1.62 2.81 1.08 0.00 -7.23 -0.86 -0.76 120.40 117.06 1p0k s VAL 91 Ca 0.06 0.26 -0.18 0.00 -1.81 0.00 0.00 61.98 60.31 1p0k s VAL 91 Cb -0.16 -3.02 0.26 0.00 0.56 0.00 0.00 36.38 34.03 1p0k s VAL 91 CO 0.04 -0.34 1.13 0.61 -0.31 0.00 0.00 175.10 176.23 1p0k n GLY 92 N -2.17 -2.27 3.67 2.32 0.00 -1.25 -4.59 105.19 100.91 1p0k n GLY 92 Ca 0.07 -1.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.06 1p0k n GLY 92 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p0k n SER 93 N -4.41 2.84 -1.13 1.61 2.88 -1.26 -4.52 113.62 109.63 1p0k n SER 93 Ca 0.15 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.93 1p0k n SER 93 Cb 0.56 -1.43 0.22 0.00 -0.75 0.00 0.00 64.21 62.81 1p0k n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p0k n GLN 94 N 2.35 2.48 -0.18 -1.46 6.02 -0.09 -4.59 117.38 121.91 1p0k n GLN 94 Ca 0.13 -2.29 -0.01 0.00 -0.01 0.00 0.00 57.00 54.82 1p0k n GLN 94 Cb 0.31 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.16 1p0k n GLN 94 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1p0k h MET 95 N 4.23 0.27 -0.01 -1.09 2.86 -1.91 -1.66 114.93 117.63 1p0k h MET 95 Ca 0.00 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.43 1p0k h MET 95 Cb 0.96 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1p0k h MET 95 CO 0.00 0.18 -0.85 0.66 1.06 0.00 0.00 176.91 177.96 1p0k h SER 96 N 0.28 0.29 0.48 1.22 4.64 -1.98 -3.09 113.55 115.39 1p0k h SER 96 Ca 0.28 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1p0k h SER 96 Cb 0.39 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1p0k h SER 96 CO -0.35 1.01 -0.03 0.00 -0.87 0.00 0.00 176.83 176.59 1p0k h ALA 97 N 0.97 1.07 0.00 5.18 0.00 -1.67 -2.30 119.26 122.52 1p0k h ALA 97 Ca -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1p0k h ALA 97 Cb 1.47 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1p0k h ALA 97 CO 0.13 0.04 -0.19 -0.07 0.00 0.00 0.00 179.25 179.17 1p0k h LEU 98 N 0.00 0.00 -2.41 0.00 4.07 -1.24 -3.15 115.31 112.58 1p0k h LEU 98 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1p0k h LEU 98 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1p0k h LEU 98 CO 0.00 0.19 0.00 0.29 -1.08 0.00 0.00 178.44 177.84 1p0k n LYS 99 N -4.17 1.87 -3.95 1.13 5.02 -0.94 -4.92 118.16 112.19 1p0k n LYS 99 Ca -0.02 -1.21 -0.31 0.00 -2.02 0.00 0.00 58.31 54.75 1p0k n LYS 99 Cb 0.26 -0.99 -0.15 0.00 -0.02 0.00 0.00 35.03 34.13 1p0k n LYS 99 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1p0k s ASP 100 N -0.71 4.58 0.46 4.39 -1.08 -0.91 -4.98 116.67 118.42 1p0k s ASP 100 Ca 0.00 -2.09 0.24 0.00 -0.52 0.00 0.00 52.55 50.19 1p0k s ASP 100 Cb 0.00 -1.46 1.27 0.00 -1.46 0.00 0.00 42.92 41.27 1p0k s ASP 100 CO 0.00 -0.38 1.83 -0.65 0.52 0.00 0.00 175.17 176.49 1p0k h PRO 101 N 7.66 0.22 -0.02 4.34 0.11 -1.90 0.28 132.00 142.69 1p0k h PRO 101 Ca -0.06 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 1p0k h PRO 101 Cb 1.01 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1p0k h PRO 101 CO 0.52 0.15 -0.22 1.03 -0.21 0.00 0.00 178.00 179.27 1p0k h SER 102 N 0.23 0.23 0.32 -2.05 0.87 -1.94 -3.13 113.55 108.09 1p0k h SER 102 Ca 0.51 -0.71 -0.06 0.00 -1.23 0.00 0.00 61.79 60.30 1p0k h SER 102 Cb 1.57 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 1p0k h SER 102 CO -0.14 0.91 -0.27 -0.08 -0.53 0.00 0.00 176.83 176.72 1p0k h GLU 103 N -0.43 0.00 -0.82 2.24 4.81 -1.68 -2.31 114.58 116.38 1p0k h GLU 103 Ca -0.02 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1p0k h GLU 103 Cb 0.92 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1p0k h GLU 103 CO 0.04 0.27 0.54 -0.09 -0.73 0.00 0.00 179.01 179.04 1p0k h ARG 104 N 0.00 0.76 0.00 1.92 2.43 -0.92 -0.75 114.38 117.83 1p0k h ARG 104 Ca -0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1p0k h ARG 104 Cb 0.50 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1p0k h ARG 104 CO 0.03 0.51 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.92 1p0k h LEU 105 N 0.79 0.00 0.00 3.80 3.38 -1.39 -1.26 115.31 120.62 1p0k h LEU 105 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1p0k h LEU 105 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1p0k h LEU 105 CO -0.15 0.01 0.00 -1.20 0.09 0.00 0.00 178.44 177.19 1p0k n SER 106 N -4.46 0.00 -0.07 -0.43 7.64 -0.29 -2.10 113.62 113.91 1p0k n SER 106 Ca -0.03 0.30 -0.12 0.00 1.01 0.00 0.00 58.87 60.03 1p0k n SER 106 Cb 0.10 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 1p0k n SER 106 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1p0k n TYR 107 N -1.42 0.00 -0.04 1.43 4.02 -0.65 -4.52 117.16 115.98 1p0k n TYR 107 Ca 0.07 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.07 1p0k n TYR 107 Cb 0.21 -0.55 0.52 0.00 -0.02 0.00 0.00 39.34 39.50 1p0k n TYR 107 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1p0k h GLU 108 N -0.17 0.36 -0.41 -0.72 5.08 -1.28 -1.31 114.58 116.13 1p0k h GLU 108 Ca -0.34 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1p0k h GLU 108 Cb 1.45 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1p0k h GLU 108 CO -0.11 0.23 0.27 0.97 -1.00 0.00 0.00 179.01 179.38 1p0k h ILE 109 N 0.37 1.07 -0.49 3.13 6.09 -1.66 -2.22 117.51 123.81 1p0k h ILE 109 Ca 0.24 -0.17 0.02 0.00 -1.37 0.00 0.00 64.86 63.58 1p0k h ILE 109 Cb 0.47 0.53 -0.03 0.00 0.47 0.00 0.00 36.82 38.26 1p0k h ILE 109 CO -0.06 0.09 0.30 0.58 -3.07 0.00 0.00 178.15 175.99 1p0k h VAL 110 N 0.50 1.08 -0.13 2.19 2.07 -1.47 -0.38 116.25 120.10 1p0k h VAL 110 Ca 0.16 -0.21 -0.19 0.00 0.82 0.00 0.00 66.70 67.28 1p0k h VAL 110 Cb 0.02 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1p0k h VAL 110 CO -0.04 0.11 -0.69 -0.09 0.02 0.00 0.00 177.57 176.88 1p0k h ARG 111 N 0.61 0.54 -0.59 1.57 9.65 -1.56 -1.38 114.38 123.21 1p0k h ARG 111 Ca 0.19 -0.41 -0.03 0.00 -1.10 0.00 0.00 59.98 58.63 1p0k h ARG 111 Cb -0.02 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 1p0k h ARG 111 CO -0.07 1.04 0.26 -0.22 2.80 0.00 0.00 179.97 183.78 1p0k h LYS 112 N 0.38 0.85 0.00 0.20 3.64 -1.09 -2.47 116.57 118.07 1p0k h LYS 112 Ca -0.02 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1p0k h LYS 112 Cb 1.27 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1p0k h LYS 112 CO 0.13 0.68 -0.70 1.49 -2.27 0.00 0.00 179.45 178.78 1p0k h GLU 113 N 0.84 0.00 -2.27 1.90 4.57 -1.04 -3.39 114.58 115.19 1p0k h GLU 113 Ca 0.20 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.80 1p0k h GLU 113 Cb 0.13 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.32 1p0k h GLU 113 CO -0.02 0.00 -0.92 -1.71 -1.18 0.00 0.00 179.01 175.18 1p0k n ASN 114 N -2.59 0.93 0.20 1.04 4.05 -0.53 -4.68 115.26 113.68 1p0k n ASN 114 Ca 0.02 -2.79 0.04 0.00 0.45 0.00 0.00 54.58 52.30 1p0k n ASN 114 Cb 0.51 -0.63 0.41 0.00 1.23 0.00 0.00 39.78 41.31 1p0k n ASN 114 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1p0k h PRO 115 N 4.69 0.00 -0.01 1.20 0.13 -1.66 -3.32 132.00 133.03 1p0k h PRO 115 Ca 0.16 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1p0k h PRO 115 Cb 0.84 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1p0k h PRO 115 CO 0.53 0.30 -0.05 0.09 -0.23 0.00 0.00 178.00 178.64 1p0k n ASN 116 N -4.19 1.70 -4.95 1.44 4.13 -1.26 -5.04 115.26 107.09 1p0k n ASN 116 Ca -0.02 -1.35 -0.23 0.00 1.68 0.00 0.00 54.58 54.66 1p0k n ASN 116 Cb 0.34 0.11 0.03 0.00 -1.54 0.00 0.00 39.78 38.73 1p0k n ASN 116 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1p0k s GLY 117 N -0.98 1.71 -0.04 7.41 0.00 -1.25 -5.05 107.32 109.13 1p0k s GLY 117 Ca 0.11 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.42 1p0k s GLY 117 CO 0.16 -0.84 1.07 1.08 0.00 0.00 0.00 173.10 174.57 1p0k s LEU 118 N -4.82 4.31 -0.03 0.66 1.43 -1.26 -4.96 118.68 114.01 1p0k s LEU 118 Ca 0.55 1.70 0.02 0.00 -1.03 0.00 0.00 54.13 55.37 1p0k s LEU 118 Cb -0.10 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1p0k s LEU 118 CO 0.40 -0.42 -0.10 -0.63 0.23 0.00 0.00 176.35 175.84 1p0k s ILE 119 N 1.60 0.85 -0.15 -0.59 1.01 -1.26 -1.38 121.20 121.29 1p0k s ILE 119 Ca 0.52 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 1p0k s ILE 119 Cb -0.22 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1p0k s ILE 119 CO 0.23 0.27 -0.03 -0.36 0.00 0.00 0.00 174.94 175.06 1p0k s PHE 120 N 0.28 3.05 0.88 3.97 0.08 0.23 -0.91 117.98 125.56 1p0k s PHE 120 Ca -0.05 -0.22 -0.12 0.00 0.12 0.00 0.00 56.93 56.66 1p0k s PHE 120 Cb -0.10 -1.95 0.12 0.00 -0.57 0.00 0.00 43.02 40.52 1p0k s PHE 120 CO 0.01 0.03 1.14 0.00 -0.10 0.00 0.00 175.22 176.30 1p0k s ALA 121 N 0.23 1.99 -0.21 5.36 0.00 0.32 -2.03 121.76 127.42 1p0k s ALA 121 Ca -0.02 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 1p0k s ALA 121 Cb -0.14 -3.03 0.09 0.00 0.00 0.00 0.00 23.12 20.04 1p0k s ALA 121 CO 0.03 -2.11 0.45 1.21 0.00 0.00 0.00 175.76 175.34 1p0k s ASN 122 N -4.12 -0.42 0.15 0.00 3.84 -1.26 -0.71 114.94 112.41 1p0k s ASN 122 Ca 0.63 1.06 -0.03 0.00 0.21 0.00 0.00 52.86 54.73 1p0k s ASN 122 Cb -0.14 1.34 -0.03 0.00 -0.55 0.00 0.00 41.25 41.86 1p0k s ASN 122 CO 0.53 -0.22 0.13 -0.76 -2.79 0.00 0.00 177.10 173.98 1p0k s LEU 123 N 2.36 1.46 0.64 3.21 1.43 -0.76 -0.92 118.68 126.11 1p0k s LEU 123 Ca -0.04 -1.15 -0.05 0.00 -1.03 0.00 0.00 54.13 51.86 1p0k s LEU 123 Cb -0.11 0.55 0.04 0.00 0.03 0.00 0.00 46.19 46.71 1p0k s LEU 123 CO -0.14 -0.79 0.93 -0.83 0.23 0.00 0.00 176.35 175.75 1p0k s GLY 124 N -3.04 1.69 0.28 -3.19 0.00 -1.26 -1.60 107.32 100.18 1p0k s GLY 124 Ca 0.24 -0.95 0.22 0.00 0.00 0.00 0.00 44.72 44.24 1p0k s GLY 124 CO 0.03 -0.60 1.67 -1.14 0.00 0.00 0.00 173.10 173.06 1p0k n SER 125 N -2.71 0.59 0.18 1.64 3.41 -0.56 -1.54 113.62 114.64 1p0k n SER 125 Ca 0.07 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 1p0k n SER 125 Cb 0.59 -0.81 0.28 0.00 -0.26 0.00 0.00 64.21 64.01 1p0k n SER 125 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1p0k h GLU 126 N 0.00 0.00 -6.83 4.33 9.09 -1.93 -3.46 114.58 115.78 1p0k h GLU 126 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.84 1p0k h GLU 126 Cb 0.19 0.00 0.17 0.00 -1.65 0.00 0.00 28.75 27.46 1p0k h GLU 126 CO 0.00 0.00 0.03 0.00 0.05 0.00 0.00 179.01 179.09 1p0k n ALA 127 N -1.98 -0.19 -2.06 1.06 0.00 -0.59 -5.00 120.51 111.75 1p0k n ALA 127 Ca 0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 1p0k n ALA 127 Cb 0.48 -2.07 0.02 0.00 0.00 0.00 0.00 19.45 17.89 1p0k n ALA 127 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1p0k s THR 128 N -1.65 3.02 0.39 0.00 -4.23 -1.26 -4.95 115.64 106.96 1p0k s THR 128 Ca 0.74 -0.75 0.06 0.00 -1.18 0.00 0.00 61.69 60.56 1p0k s THR 128 Cb -0.39 -3.09 0.24 0.00 1.34 0.00 0.00 72.50 70.60 1p0k s THR 128 CO 0.49 -0.05 2.01 0.00 -0.54 0.00 0.00 174.62 176.53 1p0k h ALA 129 N 0.31 1.61 -0.24 3.99 0.00 -1.91 -1.26 119.26 121.77 1p0k h ALA 129 Ca -0.42 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1p0k h ALA 129 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1p0k h ALA 129 CO 0.51 0.32 -0.34 0.00 0.00 0.00 0.00 179.25 179.74 1p0k h ALA 130 N 1.68 0.96 -0.32 0.00 0.00 -1.97 -1.95 119.26 117.65 1p0k h ALA 130 Ca 0.15 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1p0k h ALA 130 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1p0k h ALA 130 CO -0.02 0.61 -0.46 1.96 0.00 0.00 0.00 179.25 181.34 1p0k h GLN 131 N 0.44 0.85 -0.38 0.00 4.20 -1.78 -2.22 115.11 116.22 1p0k h GLN 131 Ca 0.05 -0.49 0.01 0.00 0.06 0.00 0.00 58.65 58.29 1p0k h GLN 131 Cb 0.81 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1p0k h GLN 131 CO 0.07 1.13 0.23 0.00 -0.67 0.00 0.00 178.83 179.58 1p0k h ALA 132 N 0.79 0.48 -0.80 3.87 0.00 -0.98 0.21 119.26 122.83 1p0k h ALA 132 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1p0k h ALA 132 Cb 1.05 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1p0k h ALA 132 CO 0.10 -0.10 0.32 -0.22 0.00 0.00 0.00 179.25 179.35 1p0k h LYS 133 N 0.47 1.19 -0.58 0.00 3.64 -1.31 -1.42 116.57 118.57 1p0k h LYS 133 Ca 0.15 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1p0k h LYS 133 Cb -0.01 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1p0k h LYS 133 CO -0.06 0.96 0.01 1.49 -2.27 0.00 0.00 179.45 179.58 1p0k h GLU 134 N 1.16 1.01 -0.66 1.90 4.81 -0.79 -1.29 114.58 120.73 1p0k h GLU 134 Ca 0.27 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1p0k h GLU 134 Cb 0.21 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1p0k h GLU 134 CO -0.02 1.00 0.10 0.00 -0.73 0.00 0.00 179.01 179.36 1p0k h ALA 135 N 0.98 0.87 -0.21 2.92 0.00 -0.73 -0.50 119.26 122.60 1p0k h ALA 135 Ca 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1p0k h ALA 135 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1p0k h ALA 135 CO 0.03 0.65 0.05 0.28 0.00 0.00 0.00 179.25 180.25 1p0k h VAL 136 N 1.01 1.21 -0.22 0.00 2.07 -1.05 -3.13 116.25 116.13 1p0k h VAL 136 Ca 0.20 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1p0k h VAL 136 Cb 0.45 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1p0k h VAL 136 CO 0.01 0.21 -0.19 -0.33 0.02 0.00 0.00 177.57 177.30 1p0k h GLU 137 N 0.15 0.39 -1.00 1.57 5.08 -1.04 -1.16 114.58 118.57 1p0k h GLU 137 Ca 0.07 -0.12 0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1p0k h GLU 137 Cb 0.27 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 1p0k h GLU 137 CO 0.00 0.57 0.61 1.98 -1.00 0.00 0.00 179.01 181.17 1p0k h MET 138 N 0.36 0.73 0.00 2.33 4.05 -1.03 -2.84 114.93 118.54 1p0k h MET 138 Ca 0.06 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1p0k h MET 138 Cb 0.54 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1p0k h MET 138 CO 0.04 0.48 -0.04 0.44 0.23 0.00 0.00 176.91 178.06 1p0k n ILE 139 N -4.76 1.49 -4.00 1.77 -5.35 -1.17 -4.42 119.36 102.93 1p0k n ILE 139 Ca 0.23 -1.75 -0.27 0.00 -0.27 0.00 0.00 62.75 60.70 1p0k n ILE 139 Cb 0.58 0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.48 1p0k n ILE 139 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p0k n GLY 140 N -1.08 -0.25 3.75 3.28 0.00 -0.67 -4.65 105.19 105.57 1p0k n GLY 140 Ca 0.11 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1p0k n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p0k s ALA 141 N -3.87 2.67 -1.17 4.61 0.00 -0.53 -4.88 121.76 118.59 1p0k s ALA 141 Ca 0.11 1.15 0.22 0.00 0.00 0.00 0.00 51.96 53.45 1p0k s ALA 141 Cb -0.06 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1p0k s ALA 141 CO 0.89 -1.25 1.07 0.09 0.00 0.00 0.00 175.76 176.56 1p0k n ASN 142 N -1.30 1.03 -3.57 0.00 4.13 -0.09 -4.96 115.26 110.50 1p0k n ASN 142 Ca 0.12 -0.90 -0.09 0.00 1.68 0.00 0.00 54.58 55.39 1p0k n ASN 142 Cb 0.47 0.73 -0.02 0.00 -1.54 0.00 0.00 39.78 39.42 1p0k n ASN 142 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p0k s ALA 143 N -2.91 -1.63 -0.10 5.41 0.00 -1.23 -4.14 121.76 117.17 1p0k s ALA 143 Ca 0.11 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1p0k s ALA 143 Cb 0.17 0.69 0.02 0.00 0.00 0.00 0.00 23.12 24.00 1p0k s ALA 143 CO 0.78 -0.83 -0.07 -1.17 0.00 0.00 0.00 175.76 174.46 1p0k s LEU 144 N -2.72 1.21 -0.05 0.00 2.96 -0.53 -0.52 118.68 119.03 1p0k s LEU 144 Ca 0.06 -0.27 -0.18 0.00 -0.22 0.00 0.00 54.13 53.52 1p0k s LEU 144 Cb -0.02 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.85 1p0k s LEU 144 CO -0.06 -0.10 0.49 -1.10 -1.32 0.00 0.00 176.35 174.26 1p0k s GLN 145 N 1.51 4.22 -0.15 1.98 -0.21 0.11 0.00 119.66 127.11 1p0k s GLN 145 Ca 0.01 0.51 0.01 0.00 0.02 0.00 0.00 55.36 55.91 1p0k s GLN 145 Cb -0.13 -3.35 0.02 0.00 1.00 0.00 0.00 33.01 30.55 1p0k s GLN 145 CO -0.05 0.38 -0.19 0.42 -2.12 0.00 0.00 175.29 173.73 1p0k s ILE 146 N -0.11 1.88 -0.07 1.08 -1.09 0.37 -1.83 121.20 121.43 1p0k s ILE 146 Ca 0.26 -0.85 -0.13 0.00 -2.23 0.00 0.00 60.65 57.71 1p0k s ILE 146 Cb -0.16 -1.70 -0.05 0.00 -1.58 0.00 0.00 42.46 38.96 1p0k s ILE 146 CO 0.13 0.51 0.32 -1.00 -1.23 0.00 0.00 174.94 173.67 1p0k s HIS 147 N 1.16 3.63 -0.00 3.97 3.76 -0.63 -0.50 115.29 126.68 1p0k s HIS 147 Ca 0.00 0.78 0.05 0.00 -0.15 0.00 0.00 55.06 55.74 1p0k s HIS 147 Cb -0.14 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 1p0k s HIS 147 CO -0.08 0.55 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.71 1p0k s LEU 148 N -0.63 2.78 -0.39 0.89 1.43 0.18 -1.49 118.68 121.44 1p0k s LEU 148 Ca 0.20 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1p0k s LEU 148 Cb -0.15 -1.60 0.25 0.00 0.03 0.00 0.00 46.19 44.73 1p0k s LEU 148 CO 0.09 0.30 1.09 -3.20 0.23 0.00 0.00 176.35 174.85 1p0k n ASN 149 N 1.84 -1.91 -0.17 2.29 2.85 -1.26 -1.94 115.26 116.96 1p0k n ASN 149 Ca -0.16 -2.19 -0.09 0.00 -0.11 0.00 0.00 54.58 52.02 1p0k n ASN 149 Cb 0.52 1.10 0.00 0.00 1.24 0.00 0.00 39.78 42.65 1p0k n ASN 149 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1p0k h VAL 150 N 2.16 1.24 -0.35 3.44 2.07 -1.94 -2.62 116.25 120.24 1p0k h VAL 150 Ca -0.17 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1p0k h VAL 150 Cb 1.15 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1p0k h VAL 150 CO -0.02 0.30 0.01 0.40 0.02 0.00 0.00 177.57 178.28 1p0k h ILE 151 N 0.65 0.75 -0.14 4.57 1.08 -1.95 -1.95 117.51 120.52 1p0k h ILE 151 Ca 0.15 -0.04 -0.09 0.00 -0.39 0.00 0.00 64.86 64.49 1p0k h ILE 151 Cb 0.32 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1p0k h ILE 151 CO 0.00 0.02 -0.32 1.56 -0.69 0.00 0.00 178.15 178.72 1p0k h GLN 152 N 0.11 0.28 -0.96 2.37 4.20 -1.94 -3.03 115.11 116.15 1p0k h GLN 152 Ca 0.17 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1p0k h GLN 152 Cb 0.23 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1p0k h GLN 152 CO -0.27 0.58 0.07 0.39 -0.67 0.00 0.00 178.83 178.92 1p0k n GLU 153 N -4.10 1.47 -0.05 1.46 1.02 -0.75 -5.17 120.64 114.52 1p0k n GLU 153 Ca -0.01 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 1p0k n GLU 153 Cb 0.42 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1p0k n GLU 153 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1p0k n ILE 154 N 0.16 0.00 0.00 -3.67 3.06 -1.13 -5.00 119.36 112.77 1p0k n ILE 154 Ca 0.08 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.33 1p0k n ILE 154 Cb 0.58 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.76 1p0k n ILE 154 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1p0k n PHE 163 N 0.00 0.00 -2.12 9.51 3.01 -1.26 -4.99 117.46 121.61 1p0k n PHE 163 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1p0k n PHE 163 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 1p0k n PHE 163 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1p0k s SER 164 N -3.30 6.78 0.00 4.37 0.01 -1.26 -2.65 113.70 117.66 1p0k s SER 164 Ca 0.00 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.85 1p0k s SER 164 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1p0k s SER 164 CO 0.00 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1p0k n GLY 165 N 1.72 1.57 0.29 3.44 0.00 -1.26 -4.94 105.19 106.02 1p0k n GLY 165 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1p0k n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p0k h ALA 166 N 0.00 -0.34 -0.92 4.61 0.00 -1.87 0.15 119.26 120.90 1p0k h ALA 166 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1p0k h ALA 166 Cb 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1p0k h ALA 166 CO 0.00 -0.75 0.55 1.25 0.00 0.00 0.00 179.25 180.30 1p0k h LEU 167 N -0.39 1.10 -0.79 0.00 5.85 -1.92 -1.30 115.31 117.86 1p0k h LEU 167 Ca 0.07 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1p0k h LEU 167 Cb 0.48 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1p0k h LEU 167 CO -0.24 0.85 0.16 0.50 -0.34 0.00 0.00 178.44 179.37 1p0k h LYS 168 N 1.27 1.07 -0.67 1.25 3.11 -1.81 0.13 116.57 120.91 1p0k h LYS 168 Ca 0.33 -0.25 -0.07 0.00 -2.81 0.00 0.00 60.65 57.85 1p0k h LYS 168 Cb -0.05 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.01 1p0k h LYS 168 CO -0.06 0.94 0.13 -0.09 -2.81 0.00 0.00 179.45 177.57 1p0k h ARG 169 N 1.01 1.09 -0.50 1.90 2.43 -0.20 -1.64 114.38 118.48 1p0k h ARG 169 Ca 0.21 -0.27 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1p0k h ARG 169 Cb 0.36 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1p0k h ARG 169 CO 0.00 0.98 -0.09 0.82 -1.51 0.00 0.00 179.97 180.17 1p0k h ILE 170 N 1.03 1.27 -0.42 1.20 2.04 -0.71 -1.04 117.51 120.88 1p0k h ILE 170 Ca 0.21 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.87 1p0k h ILE 170 Cb 0.40 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1p0k h ILE 170 CO 0.01 0.43 0.24 -0.08 0.00 0.00 0.00 178.15 178.74 1p0k h GLU 171 N 0.79 0.47 -0.74 2.37 4.81 -0.40 -0.45 114.58 121.43 1p0k h GLU 171 Ca 0.13 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1p0k h GLU 171 Cb 0.64 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1p0k h GLU 171 CO 0.04 0.31 0.31 1.96 -0.73 0.00 0.00 179.01 180.90 1p0k h GLN 172 N 0.48 1.10 -0.29 1.92 4.20 -1.14 -0.77 115.11 120.60 1p0k h GLN 172 Ca 0.17 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1p0k h GLN 172 Cb 0.03 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1p0k h GLN 172 CO -0.09 0.89 0.19 0.82 -0.67 0.00 0.00 178.83 179.97 1p0k h ILE 173 N 1.06 1.08 -0.42 2.54 2.04 -0.81 0.13 117.51 123.14 1p0k h ILE 173 Ca 0.25 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1p0k h ILE 173 Cb 0.19 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1p0k h ILE 173 CO -0.02 0.08 0.15 0.00 0.00 0.00 0.00 178.15 178.36 1p0k h SER 175 N 0.60 0.43 0.15 0.00 0.02 -0.67 -3.35 113.55 110.74 1p0k h SER 175 Ca 0.15 -0.53 -0.18 0.00 -0.84 0.00 0.00 61.79 60.39 1p0k h SER 175 Cb 0.15 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1p0k h SER 175 CO -0.01 0.88 -0.66 -0.09 -1.14 0.00 0.00 176.83 175.80 1p0k h ARG 176 N 0.01 0.48 -6.02 3.45 9.65 -0.51 -3.44 114.38 118.00 1p0k h ARG 176 Ca 0.01 -0.35 -0.61 0.00 -1.10 0.00 0.00 59.98 57.93 1p0k h ARG 176 Cb 0.78 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.37 1p0k h ARG 176 CO 0.05 0.97 -0.26 0.14 2.80 0.00 0.00 179.97 183.67 1p0k s VAL 177 N -3.77 5.12 0.08 0.20 -7.23 -0.46 -4.99 120.40 109.34 1p0k s VAL 177 Ca -0.06 0.55 0.04 0.00 -1.81 0.00 0.00 61.98 60.70 1p0k s VAL 177 Cb 0.11 -3.64 -0.23 0.00 0.56 0.00 0.00 36.38 33.17 1p0k s VAL 177 CO 0.84 0.43 1.14 0.28 -0.31 0.00 0.00 175.10 177.48 1p0k h SER 178 N 4.20 0.12 -4.26 4.85 0.02 -1.85 -3.45 113.55 113.18 1p0k h SER 178 Ca -0.51 -0.14 -0.51 0.00 -0.84 0.00 0.00 61.79 59.80 1p0k h SER 178 Cb 1.21 -0.04 0.09 0.00 0.14 0.00 0.00 62.40 63.80 1p0k h SER 178 CO 0.64 1.11 0.36 0.68 -1.14 0.00 0.00 176.83 178.48 1p0k s VAL 179 N -2.68 3.64 0.43 2.27 -7.23 -1.26 -4.97 120.40 110.60 1p0k s VAL 179 Ca -0.02 0.66 -0.26 0.00 -1.81 0.00 0.00 61.98 60.55 1p0k s VAL 179 Cb 0.09 -3.23 -0.09 0.00 0.56 0.00 0.00 36.38 33.71 1p0k s VAL 179 CO 0.84 -0.57 1.42 -2.16 -0.31 0.00 0.00 175.10 174.32 1p0k s PRO 180 N -4.49 3.80 -0.14 4.82 0.04 -1.26 -4.78 135.00 132.99 1p0k s PRO 180 Ca 0.62 2.41 -0.03 0.00 0.04 0.00 0.00 61.00 64.05 1p0k s PRO 180 Cb -0.17 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 1p0k s PRO 180 CO 0.46 -0.72 -0.04 0.08 0.04 0.00 0.00 177.00 176.82 1p0k s VAL 181 N -1.19 3.88 -0.22 -0.36 1.01 -1.26 -1.45 120.40 120.81 1p0k s VAL 181 Ca 0.59 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1p0k s VAL 181 Cb -0.44 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 1p0k s VAL 181 CO 0.57 0.51 -0.05 -0.63 0.00 0.00 0.00 175.10 175.50 1p0k s ILE 182 N 0.14 3.26 -0.25 2.22 1.01 0.10 -0.24 121.20 127.45 1p0k s ILE 182 Ca -0.01 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 1p0k s ILE 182 Cb -0.14 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1p0k s ILE 182 CO 0.03 0.40 0.26 -0.69 0.00 0.00 0.00 174.94 174.94 1p0k s VAL 183 N 1.46 5.27 -0.12 2.92 1.01 -0.47 -0.47 120.40 129.99 1p0k s VAL 183 Ca 0.05 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1p0k s VAL 183 Cb -0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1p0k s VAL 183 CO -0.04 0.26 -0.02 -0.75 0.00 0.00 0.00 175.10 174.55 1p0k s LYS 184 N 1.51 3.36 -0.19 2.72 2.20 0.35 -0.60 119.74 129.08 1p0k s LYS 184 Ca 0.11 -0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 55.17 1p0k s LYS 184 Cb -0.15 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1p0k s LYS 184 CO 0.08 0.44 0.05 -2.00 -0.36 0.00 0.00 175.35 173.56 1p0k s GLU 185 N -0.17 3.89 -0.29 4.03 -6.30 -0.54 0.47 118.70 119.80 1p0k s GLU 185 Ca 0.04 -0.38 -0.12 0.00 -2.50 0.00 0.00 54.97 52.01 1p0k s GLU 185 Cb -0.13 -3.20 -0.04 0.00 0.00 0.00 0.00 34.13 30.76 1p0k s GLU 185 CO 0.02 0.20 0.21 0.08 0.02 0.00 0.00 175.26 175.79 1p0k s VAL 186 N 0.57 5.30 0.00 3.70 1.01 -0.82 -1.21 120.40 128.94 1p0k s VAL 186 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1p0k s VAL 186 Cb -0.13 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1p0k s VAL 186 CO 0.01 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1p0k n GLY 187 N 5.04 2.39 0.22 4.51 0.00 -1.22 -4.78 105.19 111.36 1p0k n GLY 187 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.91 1p0k n GLY 187 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p0k n PHE 188 N -0.90 0.16 -0.15 1.61 3.01 -1.26 -4.84 117.46 115.09 1p0k n PHE 188 Ca 0.00 -0.53 0.02 0.00 1.01 0.00 0.00 57.45 57.95 1p0k n PHE 188 Cb 0.00 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.41 1p0k n PHE 188 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p0k n GLY 189 N -0.22 -1.35 3.05 1.37 0.00 -1.19 -0.41 105.19 106.45 1p0k n GLY 189 Ca 0.05 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1p0k n GLY 189 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p0k s MET 190 N -1.14 0.20 0.65 1.61 1.75 -1.26 -4.79 119.30 116.32 1p0k s MET 190 Ca 0.00 0.48 -0.09 0.00 -1.25 0.00 0.00 55.69 54.82 1p0k s MET 190 Cb 0.00 -0.09 0.00 0.00 2.84 0.00 0.00 34.83 37.58 1p0k s MET 190 CO 0.00 -0.14 1.02 -1.54 -0.65 0.00 0.00 175.02 173.70 1p0k s SER 191 N 1.08 5.65 0.32 1.11 1.04 -1.26 -4.55 113.70 117.07 1p0k s SER 191 Ca -0.08 1.05 0.04 0.00 0.48 0.00 0.00 55.95 57.44 1p0k s SER 191 Cb -0.09 -1.96 0.53 0.00 0.10 0.00 0.00 66.02 64.60 1p0k s SER 191 CO -0.07 -1.15 1.81 0.07 0.98 0.00 0.00 173.24 174.88 1p0k h LYS 192 N -0.42 0.48 -0.65 4.02 2.10 -1.89 -1.58 116.57 118.63 1p0k h LYS 192 Ca -0.45 -0.14 -0.08 0.00 -2.00 0.00 0.00 60.65 57.99 1p0k h LYS 192 Cb 1.24 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.49 1p0k h LYS 192 CO 0.63 0.60 0.09 0.00 -2.00 0.00 0.00 179.45 178.77 1p0k h ALA 193 N 1.43 0.94 -0.40 0.07 0.00 -1.95 -0.71 119.26 118.64 1p0k h ALA 193 Ca 0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1p0k h ALA 193 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1p0k h ALA 193 CO 0.03 0.66 -0.05 0.77 0.00 0.00 0.00 179.25 180.66 1p0k h SER 194 N 1.00 0.74 -0.63 0.00 0.02 -1.84 -2.33 113.55 110.51 1p0k h SER 194 Ca 0.20 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1p0k h SER 194 Cb 0.44 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1p0k h SER 194 CO 0.01 0.90 0.22 0.00 -1.14 0.00 0.00 176.83 176.82 1p0k h ALA 195 N 0.86 0.83 -0.68 3.77 0.00 -1.14 -2.09 119.26 120.81 1p0k h ALA 195 Ca 0.11 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1p0k h ALA 195 Cb 0.55 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1p0k h ALA 195 CO 0.03 0.48 0.35 0.78 0.00 0.00 0.00 179.25 180.89 1p0k h GLY 196 N 0.91 1.00 1.01 0.00 0.00 -0.94 0.12 103.07 105.16 1p0k h GLY 196 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1p0k h GLY 196 CO -0.01 0.09 0.27 0.50 0.00 0.00 0.00 176.54 177.39 1p0k h LYS 197 N 0.61 0.95 -0.49 4.80 1.57 -1.19 -0.16 116.57 122.67 1p0k h LYS 197 Ca 0.32 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1p0k h LYS 197 Cb 0.29 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1p0k h LYS 197 CO -0.23 0.79 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.37 1p0k h LEU 198 N 0.90 0.84 -0.69 2.94 3.38 -0.65 -0.85 115.31 121.19 1p0k h LEU 198 Ca 0.22 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1p0k h LEU 198 Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1p0k h LEU 198 CO -0.02 0.94 0.19 1.88 0.09 0.00 0.00 178.44 181.52 1p0k h TYR 199 N 0.72 1.15 -0.12 1.13 0.99 -0.57 -1.28 116.97 118.98 1p0k h TYR 199 Ca 0.14 -0.13 -0.06 0.00 2.00 0.00 0.00 58.73 60.68 1p0k h TYR 199 Cb 0.51 -0.33 -0.01 0.00 1.00 0.00 0.00 36.73 37.91 1p0k h TYR 199 CO 0.04 0.93 -0.19 0.93 -0.00 0.00 0.00 178.16 179.86 1p0k h GLU 200 N 1.03 0.20 0.00 4.88 5.08 -0.83 -1.43 114.58 123.52 1p0k h GLU 200 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1p0k h GLU 200 Cb 0.34 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1p0k h GLU 200 CO -0.00 0.40 0.00 0.00 -1.00 0.00 0.00 179.01 178.40 1p0k n ALA 201 N -2.49 1.79 0.00 3.43 0.00 -0.34 -4.88 120.51 118.03 1p0k n ALA 201 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1p0k n ALA 201 Cb 0.31 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1p0k n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p0k n GLY 202 N 0.27 0.90 3.75 0.00 0.00 -0.54 -4.33 105.19 105.25 1p0k n GLY 202 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1p0k n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p0k s ALA 203 N -2.00 3.71 -0.19 4.61 0.00 -0.54 -4.75 121.76 122.61 1p0k s ALA 203 Ca 0.00 1.54 0.18 0.00 0.00 0.00 0.00 51.96 53.68 1p0k s ALA 203 Cb 0.00 -3.63 0.23 0.00 0.00 0.00 0.00 23.12 19.72 1p0k s ALA 203 CO 0.00 -0.96 1.53 0.00 0.00 0.00 0.00 175.76 176.33 1p0k h ALA 204 N 4.69 0.79 -2.96 0.00 0.00 -0.95 -3.42 119.26 117.41 1p0k h ALA 204 Ca -0.47 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 1p0k h ALA 204 Cb 1.22 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 1p0k h ALA 204 CO 0.78 0.45 0.23 0.00 0.00 0.00 0.00 179.25 180.70 1p0k s ALA 205 N -3.10 -1.60 0.07 0.00 0.00 -1.07 -4.13 121.76 111.94 1p0k s ALA 205 Ca 0.04 0.49 0.09 0.00 0.00 0.00 0.00 51.96 52.58 1p0k s ALA 205 Cb 0.07 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 1p0k s ALA 205 CO 0.72 -0.78 -0.23 0.14 0.00 0.00 0.00 175.76 175.61 1p0k s VAL 206 N -3.72 2.43 -0.21 0.00 -7.23 -1.02 -1.37 120.40 109.27 1p0k s VAL 206 Ca 0.02 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1p0k s VAL 206 Cb -0.01 -2.02 0.03 0.00 0.56 0.00 0.00 36.38 34.94 1p0k s VAL 206 CO -0.12 0.26 -0.16 -0.62 -0.31 0.00 0.00 175.10 174.15 1p0k s ASP 207 N -1.59 3.66 -0.63 4.85 -1.08 0.23 -0.56 116.67 121.54 1p0k s ASP 207 Ca 0.14 -0.92 -0.22 0.00 -0.52 0.00 0.00 52.55 51.03 1p0k s ASP 207 Cb -0.10 -1.51 0.08 0.00 -1.46 0.00 0.00 42.92 39.92 1p0k s ASP 207 CO 0.05 -0.07 0.89 -0.63 0.52 0.00 0.00 175.17 175.92 1p0k s ILE 208 N 1.23 4.47 -0.54 4.11 -1.09 0.79 -1.46 121.20 128.70 1p0k s ILE 208 Ca -0.00 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 57.98 1p0k s ILE 208 Cb -0.16 -4.62 0.34 0.00 -1.58 0.00 0.00 42.46 36.45 1p0k s ILE 208 CO -0.10 -1.34 1.14 0.61 -1.23 0.00 0.00 174.94 174.03 1p0k n GLY 209 N 5.30 2.41 1.23 6.18 0.00 -0.35 -1.44 105.19 118.52 1p0k n GLY 209 Ca -0.05 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1p0k n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p0k n GLY 210 N 0.14 0.01 0.46 -0.02 0.00 -1.25 -3.45 105.19 101.09 1p0k n GLY 210 Ca 0.16 0.37 0.22 0.00 0.00 0.00 0.00 46.02 46.77 1p0k n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p0k n ARG 226 N 1.97 0.02 0.06 1.61 1.74 -1.26 -4.37 116.66 116.43 1p0k n ARG 226 Ca 0.15 0.93 -0.06 0.00 -0.77 0.00 0.00 57.85 58.10 1p0k n ARG 226 Cb -0.02 -2.35 -0.11 0.00 -1.02 0.00 0.00 32.46 28.97 1p0k n ARG 226 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1p0k h GLN 227 N 0.00 0.00 -0.65 5.56 7.50 -2.03 -3.30 115.11 122.20 1p0k h GLN 227 Ca 0.38 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.63 1p0k h GLN 227 Cb 2.57 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 30.06 1p0k h GLN 227 CO -0.00 0.90 0.43 0.82 -1.50 0.00 0.00 178.83 179.47 1p0k h ILE 228 N 0.00 0.91 -0.51 2.54 2.04 -1.99 -1.12 117.51 119.38 1p0k h ILE 228 Ca -0.04 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1p0k h ILE 228 Cb 1.75 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1p0k h ILE 228 CO 0.12 0.09 0.34 0.77 0.00 0.00 0.00 178.15 179.47 1p0k h SER 229 N 0.50 0.53 -0.23 1.72 4.64 -2.03 -1.99 113.55 116.69 1p0k h SER 229 Ca 0.30 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.68 1p0k h SER 229 Cb 0.51 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1p0k h SER 229 CO -0.09 0.38 0.19 -0.26 -0.87 0.00 0.00 176.83 176.18 1p0k h PHE 230 N 0.62 0.00 -0.56 4.77 0.05 -1.40 -1.95 116.94 118.48 1p0k h PHE 230 Ca 0.20 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.99 1p0k h PHE 230 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.98 1p0k h PHE 230 CO -0.00 0.00 0.00 1.19 -0.18 0.00 0.00 178.31 179.32 1p0k n PHE 231 N -4.19 1.56 -0.04 -0.55 3.01 -0.75 -4.53 117.46 111.97 1p0k n PHE 231 Ca 0.03 -0.68 0.02 0.00 1.01 0.00 0.00 57.45 57.83 1p0k n PHE 231 Cb 0.34 -0.33 0.36 0.00 -0.01 0.00 0.00 39.48 39.84 1p0k n PHE 231 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1p0k h ASN 232 N 3.68 0.55 -0.65 4.37 4.21 -1.40 -2.93 115.58 123.40 1p0k h ASN 232 Ca 0.00 -0.03 -0.45 0.00 1.21 0.00 0.00 56.30 57.02 1p0k h ASN 232 Cb 1.59 -0.14 -0.42 0.00 -1.12 0.00 0.00 38.32 38.23 1p0k h ASN 232 CO 0.30 0.44 -0.91 -1.20 -1.29 0.00 0.00 177.43 174.77 1p0k n SER 233 N -4.42 3.89 -4.92 5.81 7.64 -1.26 -5.07 113.62 115.29 1p0k n SER 233 Ca 0.04 -3.22 -0.31 0.00 1.01 0.00 0.00 58.87 56.39 1p0k n SER 233 Cb 0.10 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.87 1p0k n SER 233 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1p0k s TRP 234 N -3.66 3.51 0.00 1.43 -0.11 -1.11 -5.05 118.94 113.95 1p0k s TRP 234 Ca 0.44 0.28 0.00 0.00 1.22 0.00 0.00 56.10 58.04 1p0k s TRP 234 Cb 0.38 -1.78 0.00 0.00 -1.50 0.00 0.00 33.47 30.57 1p0k s TRP 234 CO 0.02 0.56 0.00 0.41 -4.62 0.00 0.00 176.95 173.32 1p0k n GLY 235 N 0.20 0.87 3.22 5.86 0.00 -1.26 -4.91 105.19 109.16 1p0k n GLY 235 Ca -0.05 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 1p0k n GLY 235 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p0k s ILE 236 N -1.21 1.89 0.90 -0.61 1.01 0.46 -4.99 121.20 118.64 1p0k s ILE 236 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 1p0k s ILE 236 Cb 0.00 -1.62 0.13 0.00 0.01 0.00 0.00 42.46 40.98 1p0k s ILE 236 CO 0.00 0.53 1.09 -0.94 0.00 0.00 0.00 174.94 175.62 1p0k s SER 237 N 0.03 3.46 0.12 3.58 1.04 -1.26 -3.14 113.70 117.53 1p0k s SER 237 Ca -0.08 1.50 -0.20 0.00 0.48 0.00 0.00 55.95 57.66 1p0k s SER 237 Cb -0.14 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1p0k s SER 237 CO 0.05 -2.65 1.75 0.74 0.98 0.00 0.00 173.24 174.11 1p0k h THR 238 N -1.56 0.97 -0.33 2.02 2.02 -1.72 0.12 112.91 114.42 1p0k h THR 238 Ca -0.49 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1p0k h THR 238 Cb 1.28 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1p0k h THR 238 CO 0.54 0.03 0.18 0.00 0.37 0.00 0.00 175.52 176.64 1p0k h ALA 239 N 1.11 0.41 -0.50 6.16 0.00 -1.37 -1.22 119.26 123.85 1p0k h ALA 239 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1p0k h ALA 239 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1p0k h ALA 239 CO -0.07 -0.19 -0.11 0.00 0.00 0.00 0.00 179.25 178.87 1p0k h ALA 240 N 1.16 0.85 -0.01 0.00 0.00 -1.78 -2.27 119.26 117.21 1p0k h ALA 240 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1p0k h ALA 240 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1p0k h ALA 240 CO -0.08 0.65 0.00 0.77 0.00 0.00 0.00 179.25 180.59 1p0k h SER 241 N 0.84 0.01 -0.21 0.00 0.02 -0.63 0.60 113.55 114.17 1p0k h SER 241 Ca 0.13 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1p0k h SER 241 Cb 0.65 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1p0k h SER 241 CO 0.05 0.01 0.09 -0.07 -1.14 0.00 0.00 176.83 175.77 1p0k h LEU 242 N 0.00 0.12 -0.52 5.07 3.38 -1.18 0.45 115.31 122.64 1p0k h LEU 242 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1p0k h LEU 242 Cb 0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1p0k h LEU 242 CO -0.00 0.10 0.23 0.00 0.09 0.00 0.00 178.44 178.86 1p0k h ALA 243 N 1.12 0.67 0.04 1.53 0.00 -1.27 -0.68 119.26 120.67 1p0k h ALA 243 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1p0k h ALA 243 Cb 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1p0k h ALA 243 CO -0.08 0.26 -0.02 1.49 0.00 0.00 0.00 179.25 180.90 1p0k h GLU 244 N 0.70 -0.05 -0.45 0.00 4.81 -0.63 -1.89 114.58 117.05 1p0k h GLU 244 Ca 0.18 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1p0k h GLU 244 Cb 0.16 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1p0k h GLU 244 CO -0.02 0.06 0.11 0.82 -0.73 0.00 0.00 179.01 179.25 1p0k h ILE 245 N -0.16 1.24 -0.75 2.32 2.04 -0.86 -2.89 117.51 118.45 1p0k h ILE 245 Ca -0.01 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.05 1p0k h ILE 245 Cb 0.14 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1p0k h ILE 245 CO 0.01 0.29 0.50 -0.09 0.00 0.00 0.00 178.15 178.86 1p0k h ARG 246 N 0.60 0.96 -0.38 2.37 2.43 -1.07 0.13 114.38 119.42 1p0k h ARG 246 Ca 0.14 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1p0k h ARG 246 Cb 0.33 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1p0k h ARG 246 CO 0.00 0.64 0.25 0.66 -1.51 0.00 0.00 179.97 180.01 1p0k h SER 247 N 0.99 0.41 0.30 -3.80 4.64 -1.12 -2.22 113.55 112.75 1p0k h SER 247 Ca 0.28 -0.01 -0.32 0.00 -0.47 0.00 0.00 61.79 61.27 1p0k h SER 247 Cb -0.06 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 61.87 1p0k h SER 247 CO -0.07 0.29 -1.95 -0.62 -0.87 0.00 0.00 176.83 173.61 1p0k n GLU 248 N -4.48 0.66 -3.40 4.77 -0.58 -0.83 -4.65 120.64 112.14 1p0k n GLU 248 Ca 0.03 0.21 -0.26 0.00 -0.42 0.00 0.00 57.16 56.72 1p0k n GLU 248 Cb 0.09 -1.70 -0.08 0.00 -0.57 0.00 0.00 31.44 29.17 1p0k n GLU 248 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1p0k n PHE 249 N -3.02 1.55 0.09 -0.32 3.01 -0.03 -4.98 117.46 113.76 1p0k n PHE 249 Ca -0.24 -3.85 0.18 0.00 1.01 0.00 0.00 57.45 54.55 1p0k n PHE 249 Cb 1.08 -0.39 0.73 0.00 -0.01 0.00 0.00 39.48 40.89 1p0k n PHE 249 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1p0k h PRO 250 N 4.45 0.00 -0.32 -1.08 0.11 -1.64 -2.18 132.00 131.34 1p0k h PRO 250 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1p0k h PRO 250 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1p0k h PRO 250 CO 0.63 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 1p0k n ALA 251 N -2.52 2.37 -2.23 -0.75 0.00 -1.26 -5.01 120.51 111.12 1p0k n ALA 251 Ca 0.06 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 1p0k n ALA 251 Cb 0.50 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 1p0k n ALA 251 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1p0k s SER 252 N -1.25 6.55 -0.07 0.00 0.01 -0.82 -5.04 113.70 113.08 1p0k s SER 252 Ca 0.31 1.09 -0.28 0.00 1.31 0.00 0.00 55.95 58.38 1p0k s SER 252 Cb 0.18 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 1p0k s SER 252 CO 0.25 -0.33 0.91 -0.89 0.41 0.00 0.00 173.24 173.58 1p0k s THR 253 N -2.26 4.88 0.04 1.44 2.01 -1.26 -4.98 115.64 115.52 1p0k s THR 253 Ca 0.51 1.87 0.06 0.00 0.31 0.00 0.00 61.69 64.43 1p0k s THR 253 Cb -0.10 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 1p0k s THR 253 CO 0.29 0.12 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.13 1p0k s MET 254 N 1.42 1.11 0.05 4.92 -1.94 -1.26 -2.43 119.30 121.16 1p0k s MET 254 Ca 0.46 -0.82 0.06 0.00 -1.71 0.00 0.00 55.69 53.68 1p0k s MET 254 Cb -0.19 -1.16 -0.02 0.00 2.01 0.00 0.00 34.83 35.47 1p0k s MET 254 CO 0.21 0.29 -0.17 0.42 -0.01 0.00 0.00 175.02 175.76 1p0k s ILE 255 N -0.82 1.36 -0.08 2.53 1.01 0.28 -0.05 121.20 125.43 1p0k s ILE 255 Ca 0.04 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 59.60 1p0k s ILE 255 Cb -0.08 -1.21 -0.00 0.00 0.01 0.00 0.00 42.46 41.17 1p0k s ILE 255 CO 0.01 0.06 -0.23 0.00 0.00 0.00 0.00 174.94 174.79 1p0k s ALA 256 N -0.88 2.04 0.09 9.38 0.00 -1.04 -0.14 121.76 131.20 1p0k s ALA 256 Ca 0.04 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1p0k s ALA 256 Cb -0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1p0k s ALA 256 CO 0.02 0.31 0.07 -1.54 0.00 0.00 0.00 175.76 174.62 1p0k s SER 257 N 0.19 0.32 0.15 0.00 1.04 -0.52 -0.62 113.70 114.27 1p0k s SER 257 Ca -0.13 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1p0k s SER 257 Cb -0.16 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1p0k s SER 257 CO 0.06 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1p0k n GLY 258 N -0.01 -4.27 2.21 7.32 0.00 -1.21 -3.77 105.19 105.47 1p0k n GLY 258 Ca -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1p0k n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p0k n GLY 259 N 0.31 2.15 3.63 -0.02 0.00 -1.26 -4.55 105.19 105.45 1p0k n GLY 259 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1p0k n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p0k s LEU 260 N 0.00 3.87 0.08 0.99 1.43 -1.26 -4.90 118.68 118.89 1p0k s LEU 260 Ca 0.00 1.04 0.08 0.00 -1.03 0.00 0.00 54.13 54.22 1p0k s LEU 260 Cb 0.00 -3.54 -0.22 0.00 0.03 0.00 0.00 46.19 42.46 1p0k s LEU 260 CO 0.00 -1.02 1.13 1.56 0.23 0.00 0.00 176.35 178.25 1p0k h GLN 261 N 8.79 0.01 0.00 1.70 4.20 -1.95 -3.49 115.11 124.37 1p0k h GLN 261 Ca -0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1p0k h GLN 261 Cb 1.08 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1p0k h GLN 261 CO 1.05 0.90 0.12 -0.40 -0.67 0.00 0.00 178.83 179.82 1p0k n ASP 262 N -3.29 -0.90 0.27 1.46 5.68 -1.26 -5.03 116.55 113.47 1p0k n ASP 262 Ca -0.04 -1.62 0.10 0.00 -0.50 0.00 0.00 54.79 52.73 1p0k n ASP 262 Cb 0.97 1.50 0.70 0.00 -1.14 0.00 0.00 41.12 43.15 1p0k n ASP 262 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1p0k h ALA 263 N 2.00 1.82 -0.54 2.12 0.00 -1.94 -1.97 119.26 120.76 1p0k h ALA 263 Ca -0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1p0k h ALA 263 Cb 0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1p0k h ALA 263 CO 0.17 0.03 -0.07 1.25 0.00 0.00 0.00 179.25 180.63 1p0k h LEU 264 N 0.00 1.00 -0.79 0.00 5.85 -1.96 0.68 115.31 120.09 1p0k h LEU 264 Ca -0.00 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 1p0k h LEU 264 Cb 0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1p0k h LEU 264 CO 0.00 1.10 0.01 0.44 -0.34 0.00 0.00 178.44 179.66 1p0k h ASP 265 N 0.88 0.90 -0.26 1.25 3.45 -1.77 -0.36 116.42 120.50 1p0k h ASP 265 Ca 0.14 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.36 1p0k h ASP 265 Cb 0.63 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 1p0k h ASP 265 CO 0.04 0.95 0.12 0.58 -1.57 0.00 0.00 179.24 179.36 1p0k h VAL 266 N 0.86 1.15 -0.70 -1.35 2.07 -1.19 -0.69 116.25 116.40 1p0k h VAL 266 Ca 0.16 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1p0k h VAL 266 Cb 0.49 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1p0k h VAL 266 CO 0.02 0.16 0.42 0.00 0.02 0.00 0.00 177.57 178.19 1p0k h ALA 267 N 0.97 0.89 -0.61 1.67 0.00 -0.53 -1.65 119.26 120.01 1p0k h ALA 267 Ca 0.09 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1p0k h ALA 267 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1p0k h ALA 267 CO -0.01 0.37 0.01 0.87 0.00 0.00 0.00 179.25 180.49 1p0k h LYS 268 N 0.96 1.07 -0.78 0.00 1.57 -0.76 -0.62 116.57 118.00 1p0k h LYS 268 Ca 0.25 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1p0k h LYS 268 Cb -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1p0k h LYS 268 CO -0.05 1.04 0.29 0.00 -0.57 0.00 0.00 179.45 180.17 1p0k h ALA 269 N 0.99 1.02 -0.50 3.86 0.00 -0.93 -0.73 119.26 122.97 1p0k h ALA 269 Ca 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1p0k h ALA 269 Cb 0.55 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1p0k h ALA 269 CO 0.03 0.67 0.11 0.82 0.00 0.00 0.00 179.25 180.87 1p0k h ILE 270 N 1.15 1.24 0.00 0.00 2.04 -1.03 -0.93 117.51 119.98 1p0k h ILE 270 Ca 0.26 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1p0k h ILE 270 Cb 0.25 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1p0k h ILE 270 CO -0.02 0.32 -0.14 0.00 0.00 0.00 0.00 178.15 178.31 1p0k h ALA 271 N 0.98 1.57 -0.00 1.87 0.00 -0.68 0.45 119.26 123.45 1p0k h ALA 271 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1p0k h ALA 271 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1p0k h ALA 271 CO 0.00 0.18 -0.04 1.28 0.00 0.00 0.00 179.25 180.68 1p0k n LEU 272 N -4.09 0.20 0.00 0.00 4.77 -0.32 -4.64 117.00 112.92 1p0k n LEU 272 Ca -0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1p0k n LEU 272 Cb 0.22 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1p0k n LEU 272 CO 0.34 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1p0k n GLY 273 N 1.22 1.42 3.77 -0.72 0.00 0.14 -4.25 105.19 106.77 1p0k n GLY 273 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1p0k n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p0k s ALA 274 N -1.43 3.44 -0.16 4.61 0.00 -0.39 -4.56 121.76 123.27 1p0k s ALA 274 Ca 0.00 1.38 0.21 0.00 0.00 0.00 0.00 51.96 53.55 1p0k s ALA 274 Cb 0.00 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 1p0k s ALA 274 CO 0.00 -0.88 0.83 0.43 0.00 0.00 0.00 175.76 176.14 1p0k n SER 275 N 0.42 0.64 -3.56 0.00 7.64 0.92 -4.40 113.62 115.28 1p0k n SER 275 Ca 0.02 0.26 -0.11 0.00 1.01 0.00 0.00 58.87 60.04 1p0k n SER 275 Cb 0.41 0.73 -0.04 0.00 -1.01 0.00 0.00 64.21 64.30 1p0k n SER 275 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p0k s THR 277 N -3.68 0.74 0.08 0.00 -4.23 0.66 -2.49 115.64 106.72 1p0k s THR 277 Ca 0.02 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1p0k s THR 277 Cb 0.01 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.10 1p0k s THR 277 CO -0.12 -0.08 -0.00 -0.83 -0.54 0.00 0.00 174.62 173.05 1p0k s GLY 278 N -0.99 1.91 -0.03 3.99 0.00 0.21 -0.81 107.32 111.60 1p0k s GLY 278 Ca -0.02 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 1p0k s GLY 278 CO 0.01 -1.06 0.08 -0.29 0.00 0.00 0.00 173.10 171.83 1p0k s MET 279 N -2.21 0.08 0.00 2.90 1.75 -0.73 -3.28 119.30 117.80 1p0k s MET 279 Ca 0.25 0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.82 1p0k s MET 279 Cb -0.12 -0.00 0.00 0.00 2.84 0.00 0.00 34.83 37.55 1p0k s MET 279 CO 0.17 -0.04 0.00 0.00 -0.65 0.00 0.00 175.02 174.50 1p0k n ALA 280 N 3.24 1.97 -0.16 4.11 0.00 -1.26 -1.27 120.51 127.14 1p0k n ALA 280 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 1p0k n ALA 280 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 1p0k n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p0k n GLY 281 N 3.72 -1.17 0.30 0.00 0.00 -1.26 -0.44 105.19 106.33 1p0k n GLY 281 Ca 0.00 0.49 0.02 0.00 0.00 0.00 0.00 46.02 46.53 1p0k n GLY 281 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1p0k h HIS 282 N 0.00 0.82 -0.22 1.61 6.17 -1.96 0.50 115.15 122.07 1p0k h HIS 282 Ca 0.06 0.03 -0.17 0.00 0.71 0.00 0.00 60.37 61.01 1p0k h HIS 282 Cb 0.16 -0.25 0.00 0.00 2.52 0.00 0.00 27.41 29.84 1p0k h HIS 282 CO -0.45 0.34 -0.51 0.74 0.71 0.00 0.00 177.93 178.76 1p0k h PHE 283 N 0.77 0.94 -0.43 5.26 0.04 -1.07 -2.38 116.94 120.06 1p0k h PHE 283 Ca 0.39 -0.35 0.01 0.00 2.80 0.00 0.00 57.97 60.81 1p0k h PHE 283 Cb 0.35 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1p0k h PHE 283 CO -0.07 1.15 0.28 -0.07 -0.60 0.00 0.00 178.31 179.01 1p0k h LEU 284 N 0.46 0.48 -0.65 1.54 3.38 -0.57 -1.18 115.31 118.78 1p0k h LEU 284 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1p0k h LEU 284 Cb 1.12 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1p0k h LEU 284 CO 0.11 0.35 0.33 0.50 0.09 0.00 0.00 178.44 179.83 1p0k h LYS 285 N 0.57 0.92 -0.93 1.13 3.64 -0.94 -1.48 116.57 119.48 1p0k h LYS 285 Ca 0.16 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1p0k h LYS 285 Cb -0.06 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 1p0k h LYS 285 CO -0.04 0.72 0.54 0.00 -2.27 0.00 0.00 179.45 178.40 1p0k h ALA 286 N 1.16 1.19 0.10 5.00 0.00 -0.96 -0.20 119.26 125.54 1p0k h ALA 286 Ca 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p0k h ALA 286 Cb 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1p0k h ALA 286 CO -0.03 0.67 -0.05 1.25 0.00 0.00 0.00 179.25 181.09 1p0k h LEU 287 N 1.30 -0.11 -1.39 0.00 5.85 -0.82 0.22 115.31 120.34 1p0k h LEU 287 Ca 0.33 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1p0k h LEU 287 Cb -0.02 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1p0k h LEU 287 CO -0.06 0.16 -0.11 0.71 -0.34 0.00 0.00 178.44 178.80 1p0k h THR 288 N -0.39 1.18 0.06 1.05 1.35 -1.08 0.40 112.91 115.46 1p0k h THR 288 Ca -0.01 -0.76 -0.31 0.00 -0.55 0.00 0.00 66.41 64.77 1p0k h THR 288 Cb 0.33 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 1p0k h THR 288 CO 0.02 0.24 -1.72 0.44 -0.25 0.00 0.00 175.52 174.26 1p0k h ASP 289 N 0.26 0.19 0.00 5.36 3.32 -0.98 -3.41 116.42 121.15 1p0k h ASP 289 Ca 0.05 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1p0k h ASP 289 Cb 0.36 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1p0k h ASP 289 CO 0.02 1.32 -0.06 -1.20 -1.72 0.00 0.00 179.24 177.60 1p0k n SER 290 N -3.26 1.08 -0.50 6.45 7.64 0.75 -5.08 113.62 120.70 1p0k n SER 290 Ca -0.20 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1p0k n SER 290 Cb 1.04 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1p0k n SER 290 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p0k n GLY 291 N -0.38 -0.97 0.29 0.23 0.00 0.14 -2.06 105.19 102.44 1p0k n GLY 291 Ca 0.02 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 1p0k n GLY 291 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p0k h GLU 292 N 0.00 0.89 -0.83 1.61 5.08 -1.89 -1.51 114.58 117.94 1p0k h GLU 292 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1p0k h GLU 292 Cb 0.00 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1p0k h GLU 292 CO 0.00 0.59 0.47 1.49 -1.00 0.00 0.00 179.01 180.56 1p0k h GLU 293 N 0.92 1.14 -0.36 2.33 4.81 -1.96 0.11 114.58 121.57 1p0k h GLU 293 Ca 0.31 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1p0k h GLU 293 Cb 0.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1p0k h GLU 293 CO -0.12 0.82 -0.17 0.78 -0.73 0.00 0.00 179.01 179.59 1p0k h GLY 294 N 1.17 0.82 0.95 1.92 0.00 -0.80 -1.93 103.07 105.20 1p0k h GLY 294 Ca 0.29 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1p0k h GLY 294 CO -0.05 0.67 0.13 -2.00 0.00 0.00 0.00 176.54 175.29 1p0k h LEU 295 N 0.54 0.29 -0.91 3.11 5.85 -0.87 -0.74 115.31 122.58 1p0k h LEU 295 Ca 0.08 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1p0k h LEU 295 Cb 0.72 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1p0k h LEU 295 CO 0.05 0.29 0.58 -0.07 -0.34 0.00 0.00 178.44 178.95 1p0k h LEU 296 N 0.26 0.93 -0.60 2.25 3.38 -0.94 0.35 115.31 120.95 1p0k h LEU 296 Ca 0.08 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1p0k h LEU 296 Cb 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1p0k h LEU 296 CO -0.01 0.61 0.23 -0.33 0.09 0.00 0.00 178.44 179.03 1p0k h GLU 297 N 1.08 0.90 -0.57 1.13 5.08 -0.89 -1.00 114.58 120.31 1p0k h GLU 297 Ca 0.38 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1p0k h GLU 297 Cb 0.11 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1p0k h GLU 297 CO -0.15 0.78 0.04 1.49 -1.00 0.00 0.00 179.01 180.16 1p0k h GLU 298 N 0.83 0.96 -0.11 2.33 4.57 -0.31 -0.51 114.58 122.34 1p0k h GLU 298 Ca 0.20 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1p0k h GLU 298 Cb 0.22 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1p0k h GLU 298 CO -0.01 0.93 0.03 0.82 -1.18 0.00 0.00 179.01 179.60 1p0k h ILE 299 N 0.89 1.18 -0.34 2.32 2.04 -0.69 -2.08 117.51 120.83 1p0k h ILE 299 Ca 0.17 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1p0k h ILE 299 Cb 0.47 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1p0k h ILE 299 CO 0.02 0.16 0.03 1.56 0.00 0.00 0.00 178.15 179.92 1p0k h GLN 300 N -0.00 0.52 0.34 2.37 4.20 -1.02 -2.44 115.11 119.08 1p0k h GLN 300 Ca 0.04 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1p0k h GLN 300 Cb 0.22 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1p0k h GLN 300 CO -0.00 0.52 -0.16 1.25 -0.67 0.00 0.00 178.83 179.77 1p0k h LEU 301 N 0.50 -0.38 -1.45 1.46 7.12 -0.89 -1.61 115.31 120.07 1p0k h LEU 301 Ca 0.11 -0.13 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 1p0k h LEU 301 Cb 0.28 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 1p0k h LEU 301 CO 0.00 -0.08 0.06 -0.29 -0.13 0.00 0.00 178.44 178.01 1p0k h ILE 302 N -0.71 1.15 -0.57 4.05 2.10 -1.30 -0.19 117.51 122.05 1p0k h ILE 302 Ca -0.05 -0.53 -0.11 0.00 1.08 0.00 0.00 64.86 65.25 1p0k h ILE 302 Cb 0.49 0.87 -0.02 0.00 -1.09 0.00 0.00 36.82 37.07 1p0k h ILE 302 CO 0.08 0.19 -0.07 -0.07 -1.08 0.00 0.00 178.15 177.19 1p0k h LEU 303 N 0.42 1.04 -0.70 2.19 3.38 -1.36 -1.13 115.31 119.14 1p0k h LEU 303 Ca 0.10 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1p0k h LEU 303 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1p0k h LEU 303 CO -0.00 1.13 -0.24 -0.33 0.09 0.00 0.00 178.44 179.09 1p0k h GLU 304 N 0.93 0.74 -0.37 1.13 4.39 -0.34 -1.91 114.58 119.15 1p0k h GLU 304 Ca 0.15 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 1p0k h GLU 304 Cb 0.64 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1p0k h GLU 304 CO 0.04 0.91 -0.08 0.93 -1.16 0.00 0.00 179.01 179.65 1p0k h GLU 305 N 0.64 0.63 -0.43 2.33 5.08 -0.88 -0.96 114.58 120.99 1p0k h GLU 305 Ca 0.09 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1p0k h GLU 305 Cb 0.75 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1p0k h GLU 305 CO 0.06 0.71 -0.03 1.25 -1.00 0.00 0.00 179.01 180.00 1p0k h LEU 306 N 0.58 0.77 -1.33 1.33 5.85 -0.89 -1.95 115.31 119.68 1p0k h LEU 306 Ca 0.11 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1p0k h LEU 306 Cb 0.49 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1p0k h LEU 306 CO 0.03 0.91 0.14 0.11 -0.34 0.00 0.00 178.44 179.29 1p0k h LYS 307 N 0.61 0.60 -0.35 1.25 1.57 -0.97 -0.42 116.57 118.86 1p0k h LYS 307 Ca 0.12 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1p0k h LYS 307 Cb 0.54 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1p0k h LYS 307 CO 0.03 0.52 0.12 1.25 -0.57 0.00 0.00 179.45 180.80 1p0k h LEU 308 N 0.59 0.50 -0.50 2.94 6.46 -0.85 0.16 115.31 124.62 1p0k h LEU 308 Ca 0.14 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1p0k h LEU 308 Cb 0.16 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 1p0k h LEU 308 CO -0.01 0.56 0.16 0.40 -0.62 0.00 0.00 178.44 178.92 1p0k h ILE 309 N 0.42 1.23 -0.80 4.05 2.04 -0.89 -1.80 117.51 121.76 1p0k h ILE 309 Ca 0.12 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1p0k h ILE 309 Cb 0.22 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1p0k h ILE 309 CO -0.01 0.28 0.41 0.24 0.00 0.00 0.00 178.15 179.07 1p0k h MET 310 N 0.67 1.12 -0.13 2.37 2.86 -0.85 -1.90 114.93 119.07 1p0k h MET 310 Ca 0.16 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1p0k h MET 310 Cb 0.27 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1p0k h MET 310 CO -0.01 0.84 0.08 1.15 1.06 0.00 0.00 176.91 180.04 1p0k h THR 311 N 1.12 1.03 -0.09 2.22 2.02 -0.14 0.93 112.91 120.00 1p0k h THR 311 Ca 0.28 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1p0k h THR 311 Cb 0.06 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1p0k h THR 311 CO -0.04 0.03 -0.03 0.58 0.37 0.00 0.00 175.52 176.43 1p0k h VAL 312 N 0.17 1.08 -0.00 3.16 2.07 -1.06 -1.55 116.25 120.12 1p0k h VAL 312 Ca 0.05 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1p0k h VAL 312 Cb -0.02 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1p0k h VAL 312 CO -0.01 0.10 -0.19 0.18 0.02 0.00 0.00 177.57 177.67 1p0k n LEU 313 N -4.43 0.55 -1.19 2.57 4.77 -0.74 -4.43 117.00 114.10 1p0k n LEU 313 Ca -0.02 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1p0k n LEU 313 Cb 0.16 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1p0k n LEU 313 CO 0.35 0.11 -0.14 0.61 -1.33 0.00 0.00 177.39 177.00 1p0k n GLY 314 N 1.35 0.19 3.43 -0.72 0.00 -0.54 -4.87 105.19 104.02 1p0k n GLY 314 Ca 0.12 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1p0k n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p0k s ALA 315 N -2.53 3.48 0.14 4.61 0.00 0.21 -4.95 121.76 122.72 1p0k s ALA 315 Ca 0.00 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.14 1p0k s ALA 315 Cb 0.00 -2.91 -0.11 0.00 0.00 0.00 0.00 23.12 20.10 1p0k s ALA 315 CO 0.00 -1.53 1.30 -0.09 0.00 0.00 0.00 175.76 175.44 1p0k h ARG 316 N 8.64 0.18 -5.05 0.00 2.43 -1.92 -3.40 114.38 115.27 1p0k h ARG 316 Ca -0.27 -0.24 -0.43 0.00 -0.81 0.00 0.00 59.98 58.23 1p0k h ARG 316 Cb 1.12 0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.60 1p0k h ARG 316 CO 0.77 1.03 -0.60 0.95 -1.51 0.00 0.00 179.97 180.60 1p0k s THR 317 N -2.99 0.82 0.25 0.20 -4.23 -1.26 -0.12 115.64 108.32 1p0k s THR 317 Ca -0.02 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.44 1p0k s THR 317 Cb 0.09 -2.67 0.20 0.00 1.34 0.00 0.00 72.50 71.47 1p0k s THR 317 CO 0.84 0.00 1.86 0.40 -0.54 0.00 0.00 174.62 177.18 1p0k h ILE 318 N 2.18 1.25 -0.92 2.99 1.08 -1.76 -1.07 117.51 121.25 1p0k h ILE 318 Ca -0.39 -0.67 0.05 0.00 -0.39 0.00 0.00 64.86 63.46 1p0k h ILE 318 Cb 1.25 0.20 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 1p0k h ILE 318 CO 0.64 0.29 0.59 0.00 -0.69 0.00 0.00 178.15 178.98 1p0k h ALA 319 N 1.30 1.24 -0.54 1.87 0.00 -1.91 -0.36 119.26 120.86 1p0k h ALA 319 Ca 0.28 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1p0k h ALA 319 Cb 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1p0k h ALA 319 CO -0.04 0.41 -0.06 -0.44 0.00 0.00 0.00 179.25 179.12 1p0k h ASP 320 N 1.11 0.99 -0.42 0.00 3.45 -1.74 -2.92 116.42 116.90 1p0k h ASP 320 Ca 0.38 -0.33 -0.07 0.00 0.43 0.00 0.00 57.03 57.44 1p0k h ASP 320 Cb 0.08 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 1p0k h ASP 320 CO -0.15 1.09 0.03 0.25 -1.57 0.00 0.00 179.24 178.90 1p0k h LEU 321 N 0.87 0.75 0.00 1.55 5.85 -0.40 -1.58 115.31 122.36 1p0k h LEU 321 Ca 0.15 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1p0k h LEU 321 Cb 0.62 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1p0k h LEU 321 CO 0.04 0.80 0.00 0.00 -0.34 0.00 0.00 178.44 178.94 1p0k n GLN 322 N -4.23 0.05 -0.02 1.25 6.02 -0.22 -1.53 117.38 118.69 1p0k n GLN 322 Ca 0.03 0.30 0.03 0.00 -0.01 0.00 0.00 57.00 57.34 1p0k n GLN 322 Cb 0.28 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.08 1p0k n GLN 322 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1p0k n LYS 323 N -1.41 2.47 -2.06 -1.09 5.02 -0.63 -4.72 118.16 115.74 1p0k n LYS 323 Ca 0.03 -1.78 -0.42 0.00 -2.02 0.00 0.00 58.31 54.12 1p0k n LYS 323 Cb 0.09 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1p0k n LYS 323 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p0k s ALA 324 N -1.50 3.66 0.35 7.82 0.00 -0.58 -4.94 121.76 126.57 1p0k s ALA 324 Ca 0.09 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 1p0k s ALA 324 Cb 0.08 -3.61 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 1p0k s ALA 324 CO 0.01 -0.83 1.52 -2.30 0.00 0.00 0.00 175.76 174.15 1p0k n PRO 325 N 4.61 2.66 -3.71 0.00 -0.02 -1.26 -4.94 135.00 132.34 1p0k n PRO 325 Ca 0.13 0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 62.45 1p0k n PRO 325 Cb 0.41 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.17 1p0k n PRO 325 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1p0k s LEU 326 N -1.47 0.13 -0.09 2.45 0.05 -0.19 -1.36 118.68 118.20 1p0k s LEU 326 Ca 0.57 -0.44 0.04 0.00 0.05 0.00 0.00 54.13 54.35 1p0k s LEU 326 Cb -0.49 2.08 -0.00 0.00 -2.05 0.00 0.00 46.19 45.73 1p0k s LEU 326 CO 0.59 -1.01 -0.24 -0.69 -0.55 0.00 0.00 176.35 174.45 1p0k s VAL 327 N -3.86 2.09 -0.16 1.48 1.01 0.31 -2.15 120.40 119.12 1p0k s VAL 327 Ca 0.08 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 1p0k s VAL 327 Cb -0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1p0k s VAL 327 CO -0.05 0.56 0.11 -0.63 0.00 0.00 0.00 175.10 175.10 1p0k s ILE 328 N 0.23 5.26 0.07 2.22 1.01 -1.26 -1.72 121.20 127.02 1p0k s ILE 328 Ca -0.16 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1p0k s ILE 328 Cb -0.17 -3.35 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 1p0k s ILE 328 CO 0.08 0.51 0.04 2.29 0.00 0.00 0.00 174.94 177.86 1p0k n LYS 329 N 2.93 0.54 0.00 2.79 2.85 0.04 -4.71 118.16 122.60 1p0k n LYS 329 Ca -0.18 -0.60 0.00 0.00 -1.05 0.00 0.00 58.31 56.48 1p0k n LYS 329 Cb 0.53 0.40 0.00 0.00 -0.65 0.00 0.00 35.03 35.31 1p0k n LYS 329 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1p0k n GLY 330 N 0.99 1.73 0.34 2.58 0.00 -1.26 -1.87 105.19 107.70 1p0k n GLY 330 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1p0k n GLY 330 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p0k h GLU 331 N 0.00 0.92 -0.50 1.61 5.08 -1.98 -1.04 114.58 118.67 1p0k h GLU 331 Ca 0.00 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1p0k h GLU 331 Cb 0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1p0k h GLU 331 CO 0.00 0.61 0.13 1.15 -1.00 0.00 0.00 179.01 179.90 1p0k h THR 332 N 0.94 1.24 -0.19 1.13 2.02 -1.91 -0.10 112.91 116.05 1p0k h THR 332 Ca 0.26 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 1p0k h THR 332 Cb -0.08 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1p0k h THR 332 CO -0.06 0.30 0.10 -0.74 0.37 0.00 0.00 175.52 175.48 1p0k h HIS 333 N 0.68 0.26 -0.31 3.16 -0.00 -0.62 -1.34 115.15 116.98 1p0k h HIS 333 Ca 0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1p0k h HIS 333 Cb 0.31 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 1p0k h HIS 333 CO 0.02 0.26 0.20 1.25 -0.00 0.00 0.00 177.93 179.65 1p0k h HIS 334 N 0.19 0.40 -0.09 5.26 6.17 -0.98 -0.89 115.15 125.22 1p0k h HIS 334 Ca 0.06 0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.18 1p0k h HIS 334 Cb 0.09 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 29.85 1p0k h HIS 334 CO -0.03 0.28 -0.09 2.35 0.71 0.00 0.00 177.93 181.15 1p0k h TRP 335 N 0.41 -0.21 -0.81 5.26 2.91 -0.88 -1.38 115.95 121.25 1p0k h TRP 335 Ca 0.11 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 1p0k h TRP 335 Cb -0.01 0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.71 1p0k h TRP 335 CO -0.05 -0.13 0.45 -0.07 -1.03 0.00 0.00 178.44 177.61 1p0k h LEU 336 N -0.11 1.00 -0.37 0.65 3.38 -1.09 -1.24 115.31 117.54 1p0k h LEU 336 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1p0k h LEU 336 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1p0k h LEU 336 CO -0.15 0.81 0.19 0.74 0.09 0.00 0.00 178.44 180.11 1p0k h THR 337 N 1.12 1.16 -0.28 0.22 2.02 -0.79 0.26 112.91 116.62 1p0k h THR 337 Ca 0.29 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1p0k h THR 337 Cb 0.02 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1p0k h THR 337 CO -0.05 0.16 -0.03 -0.33 0.37 0.00 0.00 175.52 175.64 1p0k h GLU 338 N 0.46 0.43 0.00 6.66 4.39 -1.02 -2.01 114.58 123.49 1p0k h GLU 338 Ca 0.13 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1p0k h GLU 338 Cb 0.09 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1p0k h GLU 338 CO -0.02 0.49 0.00 0.54 -1.16 0.00 0.00 179.01 178.86 1p0k n ARG 339 N -4.29 0.99 -1.03 2.33 5.12 -0.49 -4.90 116.66 114.40 1p0k n ARG 339 Ca 0.01 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.92 1p0k n ARG 339 Cb 0.25 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 30.05 1p0k n ARG 339 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p0k n GLY 340 N 0.97 0.48 3.70 -0.13 0.00 -0.76 -5.03 105.19 104.43 1p0k n GLY 340 Ca 0.23 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1p0k n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p0k s VAL 341 N -2.03 5.20 -0.05 1.61 1.01 0.01 -5.02 120.40 121.13 1p0k s VAL 341 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 1p0k s VAL 341 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1p0k s VAL 341 CO 0.00 0.30 1.46 0.21 0.00 0.00 0.00 175.10 177.07 1p0k s ASN 342 N 0.75 6.80 -0.17 3.32 3.04 -1.26 -4.16 114.94 123.26 1p0k s ASN 342 Ca 0.23 2.07 0.11 0.00 0.04 0.00 0.00 52.86 55.32 1p0k s ASN 342 Cb -0.15 -2.55 -0.23 0.00 -1.54 0.00 0.00 41.25 36.79 1p0k s ASN 342 CO 0.09 -0.80 0.17 0.35 -3.04 0.00 0.00 177.10 173.86 1p0k n THR 343 N 5.10 1.50 0.26 -5.21 -2.24 -1.26 -4.36 114.28 108.07 1p0k n THR 343 Ca 0.15 -0.77 0.12 0.00 -2.27 0.00 0.00 64.05 61.28 1p0k n THR 343 Cb 0.43 -0.90 0.73 0.00 -2.10 0.00 0.00 70.33 68.49 1p0k n THR 343 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1p0k h SER 344 N 0.01 0.00 0.07 3.42 4.64 -1.96 -2.14 113.55 117.59 1p0k h SER 344 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1p0k h SER 344 Cb 2.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.20 1p0k h SER 344 CO 0.02 0.10 -0.03 0.77 -0.87 0.00 0.00 176.83 176.82 1p0k h SER 345 N 0.00 0.00 0.59 4.97 4.64 -1.96 0.05 113.55 121.84 1p0k h SER 345 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1p0k h SER 345 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1p0k h SER 345 CO 0.01 0.03 -0.50 1.88 -0.87 0.00 0.00 176.83 177.38 1p0k h TYR 346 N 0.00 0.00 0.00 4.77 0.05 -1.64 -2.72 116.97 117.43 1p0k h TYR 346 Ca -0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.54 1p0k h TYR 346 Cb 0.08 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 1p0k h TYR 346 CO 0.00 0.50 -1.64 0.43 -1.05 0.00 0.00 178.16 176.40 1p0k n SER 347 N -3.82 0.79 -0.56 3.88 7.64 -0.11 -1.02 113.62 120.42 1p0k n SER 347 Ca -0.01 0.37 0.12 0.00 1.01 0.00 0.00 58.87 60.35 1p0k n SER 347 Cb 0.53 0.13 0.14 0.00 -1.01 0.00 0.00 64.21 64.01 1p0k n SER 347 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1p0k n VAL 348 N -2.95 0.00 1.78 0.44 0.31 -0.52 -4.68 118.33 112.71 1p0k n VAL 348 Ca -0.15 -0.29 0.14 0.00 -0.01 0.00 0.00 64.34 64.03 1p0k n VAL 348 Cb 0.97 1.09 0.85 0.00 -0.91 0.00 0.00 33.84 35.83 1p0k n VAL 348 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40