#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ejm s VAL 17 N 0.00 4.28 -0.76 1.39 1.01 0.30 -3.88 120.40 122.74 1ejm s VAL 17 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1ejm s VAL 17 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1ejm s VAL 17 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1ejm n GLY 18 N 3.06 0.86 0.00 4.51 0.00 -1.23 -2.10 105.19 110.30 1ejm n GLY 18 Ca -0.18 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1ejm n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejm n GLY 19 N -1.99 2.42 3.26 -0.02 0.00 -1.26 -4.87 105.19 102.73 1ejm n GLY 19 Ca -0.07 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1ejm n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ejm s TYR 20 N 2.48 0.31 -0.05 1.61 -0.85 0.19 -4.93 117.35 116.10 1ejm s TYR 20 Ca 0.00 -0.71 -0.30 0.00 -0.52 0.00 0.00 57.07 55.55 1ejm s TYR 20 Cb 0.00 -0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.20 1ejm s TYR 20 CO 0.00 -0.62 1.60 0.99 -1.52 0.00 0.00 175.55 176.00 1ejm s THR 21 N -3.92 3.60 0.47 -3.49 2.01 -1.26 0.60 115.64 113.65 1ejm s THR 21 Ca 0.12 0.79 -0.24 0.00 0.31 0.00 0.00 61.69 62.67 1ejm s THR 21 Cb 0.04 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 1ejm s THR 21 CO -0.05 -0.06 1.33 0.00 -0.69 0.00 0.00 174.62 175.15 1ejm s GLY 23 N -0.83 1.64 0.28 0.00 0.00 -1.26 -4.91 107.32 102.23 1ejm s GLY 23 Ca 0.64 0.20 -0.29 0.00 0.00 0.00 0.00 44.72 45.26 1ejm s GLY 23 CO 0.48 0.69 1.35 0.00 0.00 0.00 0.00 173.10 175.63 1ejm s ALA 24 N -2.73 3.55 -0.29 3.20 0.00 -1.26 -2.09 121.76 122.13 1ejm s ALA 24 Ca 0.65 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1ejm s ALA 24 Cb -0.21 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1ejm s ALA 24 CO 0.59 -0.66 0.00 0.09 0.00 0.00 0.00 175.76 175.78 1ejm n ASN 25 N 1.67 -5.62 -0.03 0.00 3.02 -1.26 -4.84 115.26 108.19 1ejm n ASN 25 Ca 0.03 0.07 -0.09 0.00 -0.03 0.00 0.00 54.58 54.56 1ejm n ASN 25 Cb 0.41 -3.36 0.06 0.00 -0.61 0.00 0.00 39.78 36.28 1ejm n ASN 25 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ejm h THR 26 N 0.00 1.30 -2.45 3.41 2.02 -1.76 -3.36 112.91 112.07 1ejm h THR 26 Ca -0.06 -1.61 -0.60 0.00 0.77 0.00 0.00 66.41 64.91 1ejm h THR 26 Cb 0.94 1.55 -0.41 0.00 -1.74 0.00 0.00 68.15 68.50 1ejm h THR 26 CO 0.08 0.51 -0.75 0.52 0.37 0.00 0.00 175.52 176.26 1ejm n VAL 27 N -4.02 0.95 0.71 3.16 0.31 -1.26 -4.94 118.33 113.25 1ejm n VAL 27 Ca -0.02 -4.58 0.09 0.00 -0.01 0.00 0.00 64.34 59.82 1ejm n VAL 27 Cb 0.54 -2.02 0.42 0.00 -0.91 0.00 0.00 33.84 31.87 1ejm n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ejm n PRO 28 N 1.62 0.08 0.00 5.55 -0.04 -1.26 -2.99 135.00 137.96 1ejm n PRO 28 Ca 0.25 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 1ejm n PRO 28 Cb 0.43 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1ejm n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1ejm n TYR 29 N -1.44 0.00 -2.47 0.54 0.18 -1.14 -1.62 117.16 111.22 1ejm n TYR 29 Ca 0.06 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.42 1ejm n TYR 29 Cb 0.20 -0.11 -0.03 0.00 -0.38 0.00 0.00 39.34 39.02 1ejm n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1ejm s GLN 30 N -2.95 4.50 0.24 -3.48 2.00 -1.16 -0.51 119.66 118.29 1ejm s GLN 30 Ca 0.10 1.74 0.05 0.00 -2.00 0.00 0.00 55.36 55.25 1ejm s GLN 30 Cb 0.17 -3.32 -0.05 0.00 0.80 0.00 0.00 33.01 30.60 1ejm s GLN 30 CO 0.77 -0.13 -0.04 0.14 -0.50 0.00 0.00 175.29 175.54 1ejm s VAL 31 N 0.56 1.27 -0.08 1.34 -7.23 -0.47 -4.54 120.40 111.27 1ejm s VAL 31 Ca 0.55 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1ejm s VAL 31 Cb -0.29 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 1ejm s VAL 31 CO 0.31 -0.37 -0.20 -0.55 -0.31 0.00 0.00 175.10 173.98 1ejm s SER 32 N -3.33 3.44 -0.13 4.85 0.15 -0.42 -1.58 113.70 116.69 1ejm s SER 32 Ca 0.27 -0.42 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 1ejm s SER 32 Cb 0.04 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.25 1ejm s SER 32 CO 0.09 0.24 0.44 -0.76 1.20 0.00 0.00 173.24 174.45 1ejm s LEU 33 N -0.11 4.27 -0.05 3.45 1.43 0.11 -0.74 118.68 127.03 1ejm s LEU 33 Ca -0.04 0.75 0.06 0.00 -1.03 0.00 0.00 54.13 53.87 1ejm s LEU 33 Cb -0.14 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1ejm s LEU 33 CO 0.04 0.02 -0.23 0.21 0.23 0.00 0.00 176.35 176.62 1ejm s ASN 34 N 0.61 2.83 -0.28 2.29 3.84 0.80 -1.92 114.94 123.12 1ejm s ASN 34 Ca 0.24 -0.47 0.19 0.00 0.21 0.00 0.00 52.86 53.04 1ejm s ASN 34 Cb -0.15 -0.75 0.49 0.00 -0.55 0.00 0.00 41.25 40.30 1ejm s ASN 34 CO 0.09 0.23 1.11 -0.24 -2.79 0.00 0.00 177.10 175.49 1ejm n SER 37 N 2.97 2.22 0.00 -4.21 2.88 -1.26 -1.40 113.62 114.81 1ejm n SER 37 Ca -0.17 -2.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.93 1ejm n SER 37 Cb 0.52 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1ejm n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ejm n GLY 38 N -0.56 2.28 3.50 0.46 0.00 -1.26 -5.02 105.19 104.59 1ejm n GLY 38 Ca 0.14 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1ejm n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ejm s TYR 39 N -0.30 0.18 0.12 1.61 1.13 -1.26 -5.13 117.35 113.71 1ejm s TYR 39 Ca 0.00 -0.54 -0.31 0.00 -1.41 0.00 0.00 57.07 54.81 1ejm s TYR 39 Cb 0.00 0.21 -0.09 0.00 -1.10 0.00 0.00 41.96 40.97 1ejm s TYR 39 CO 0.00 -0.90 1.64 -1.58 -2.51 0.00 0.00 175.55 172.21 1ejm s HIS 40 N -3.95 2.66 0.00 -3.49 5.65 -1.26 -4.41 115.29 110.50 1ejm s HIS 40 Ca 0.16 0.40 0.00 0.00 0.25 0.00 0.00 55.06 55.87 1ejm s HIS 40 Cb 0.00 -3.98 0.00 0.00 -1.18 0.00 0.00 32.58 27.42 1ejm s HIS 40 CO 0.02 -3.84 0.00 1.97 -0.65 0.00 0.00 174.74 172.25 1ejm n PHE 41 N 4.89 0.00 -3.71 3.88 1.16 -0.81 -4.99 117.46 117.89 1ejm n PHE 41 Ca 0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.63 1ejm n PHE 41 Cb 0.39 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.22 1ejm n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ejm n GLY 43 N -0.27 2.36 3.73 0.00 0.00 0.15 0.08 105.19 111.24 1ejm n GLY 43 Ca -0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 46.02 43.62 1ejm n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ejm s GLY 44 N -4.26 -0.26 -0.06 -0.02 0.00 -0.61 -3.84 107.32 98.26 1ejm s GLY 44 Ca 0.43 0.26 0.03 0.00 0.00 0.00 0.00 44.72 45.44 1ejm s GLY 44 CO 0.27 0.36 -0.15 -0.56 0.00 0.00 0.00 173.10 173.03 1ejm s SER 45 N -3.02 2.01 -0.15 1.64 0.01 -0.03 -1.36 113.70 112.80 1ejm s SER 45 Ca 0.14 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.77 1ejm s SER 45 Cb 0.01 -0.83 -0.01 0.00 0.21 0.00 0.00 66.02 65.39 1ejm s SER 45 CO 0.01 0.08 1.09 -0.22 0.41 0.00 0.00 173.24 174.61 1ejm s LEU 46 N 0.46 4.19 -0.02 2.44 2.96 0.33 -0.71 118.68 128.33 1ejm s LEU 46 Ca -0.12 1.55 0.21 0.00 -0.22 0.00 0.00 54.13 55.54 1ejm s LEU 46 Cb -0.15 -3.55 -0.31 0.00 0.50 0.00 0.00 46.19 42.69 1ejm s LEU 46 CO 0.04 -0.60 0.51 2.30 -1.32 0.00 0.00 176.35 177.28 1ejm n ILE 47 N 4.97 0.00 -3.83 6.68 -5.35 -0.18 -0.99 119.36 120.65 1ejm n ILE 47 Ca 0.11 -0.41 -0.01 0.00 -0.27 0.00 0.00 62.75 62.17 1ejm n ILE 47 Cb 0.47 0.17 0.01 0.00 -1.74 0.00 0.00 39.64 38.55 1ejm n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1ejm s ASN 48 N -4.16 -0.04 0.55 7.28 6.03 -1.18 -4.62 114.94 118.80 1ejm s ASN 48 Ca -0.05 -0.45 0.28 0.00 -1.03 0.00 0.00 52.86 51.61 1ejm s ASN 48 Cb 0.13 0.38 1.53 0.00 -3.03 0.00 0.00 41.25 40.27 1ejm s ASN 48 CO 0.85 -0.74 1.84 0.77 -2.03 0.00 0.00 177.10 177.80 1ejm h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.96 -2.93 113.55 118.84 1ejm h SER 49 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ejm h SER 49 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ejm h SER 49 CO 0.32 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 176.22 1ejm n GLN 50 N -2.67 6.34 -4.74 4.77 6.02 -1.26 -1.19 117.38 124.65 1ejm n GLN 50 Ca -0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.72 1ejm n GLN 50 Cb 0.27 -0.52 -0.15 0.00 1.02 0.00 0.00 30.24 30.87 1ejm n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ejm s TRP 51 N -1.03 1.64 0.02 1.08 0.52 -1.11 -0.30 118.94 119.76 1ejm s TRP 51 Ca 0.00 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.85 1ejm s TRP 51 Cb 0.00 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.28 1ejm s TRP 51 CO 0.00 0.02 -0.19 0.08 0.02 0.00 0.00 176.95 176.88 1ejm s VAL 52 N -0.60 1.52 -0.10 4.03 1.01 -0.02 -1.01 120.40 125.23 1ejm s VAL 52 Ca 0.07 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1ejm s VAL 52 Cb -0.08 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1ejm s VAL 52 CO 0.00 0.29 -0.10 0.54 0.00 0.00 0.00 175.10 175.83 1ejm s VAL 53 N -0.63 3.36 0.00 2.92 0.11 0.11 -0.56 120.40 125.70 1ejm s VAL 53 Ca 0.07 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1ejm s VAL 53 Cb -0.08 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 1ejm s VAL 53 CO 0.01 0.56 0.00 -0.24 -3.33 0.00 0.00 175.10 172.09 1ejm n SER 54 N 2.87 0.00 -4.85 3.54 2.88 -0.47 -0.85 113.62 116.74 1ejm n SER 54 Ca -0.18 -0.74 -0.33 0.00 -1.33 0.00 0.00 58.87 56.29 1ejm n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1ejm n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ejm s ALA 55 N -1.64 3.48 0.39 -1.46 0.00 -1.26 -0.89 121.76 120.38 1ejm s ALA 55 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 51.96 51.97 1ejm s ALA 55 Cb 0.00 -2.60 0.79 0.00 0.00 0.00 0.00 23.12 21.31 1ejm s ALA 55 CO 0.00 0.42 1.90 0.00 0.00 0.00 0.00 175.76 178.08 1ejm h ALA 56 N 2.81 1.50 0.00 0.00 0.00 -1.68 -1.81 119.26 120.08 1ejm h ALA 56 Ca -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ejm h ALA 56 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ejm h ALA 56 CO 0.67 0.36 0.00 -2.39 0.00 0.00 0.00 179.25 177.89 1ejm n HIS 57 N -4.24 0.00 1.56 0.00 1.44 -1.26 -1.75 115.22 110.96 1ejm n HIS 57 Ca -0.01 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.83 1ejm n HIS 57 Cb 0.29 -0.38 0.56 0.00 0.12 0.00 0.00 29.99 30.58 1ejm n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ejm s TYR 59 N -1.94 2.92 0.03 0.00 6.14 -0.71 -4.99 117.35 118.80 1ejm s TYR 59 Ca 0.37 0.74 -0.21 0.00 0.64 0.00 0.00 57.07 58.61 1ejm s TYR 59 Cb 0.19 -3.98 0.04 0.00 0.42 0.00 0.00 41.96 38.64 1ejm s TYR 59 CO 0.31 -3.42 0.47 0.15 0.64 0.00 0.00 175.55 173.70 1ejm s LYS 60 N 0.20 0.96 0.37 4.97 1.02 -1.26 -5.15 119.74 120.85 1ejm s LYS 60 Ca 0.66 -0.23 -0.17 0.00 0.02 0.00 0.00 55.97 56.24 1ejm s LYS 60 Cb -0.46 0.43 -0.10 0.00 -0.52 0.00 0.00 37.83 37.19 1ejm s LYS 60 CO 0.40 -0.33 0.83 -1.54 -0.92 0.00 0.00 175.35 173.79 1ejm s SER 61 N -1.85 6.82 -0.89 2.83 1.04 -1.26 -4.08 113.70 116.30 1ejm s SER 61 Ca -0.07 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.80 1ejm s SER 61 Cb -0.01 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1ejm s SER 61 CO -0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1ejm n GLY 62 N -0.56 0.27 3.76 7.32 0.00 -1.26 -4.99 105.19 109.73 1ejm n GLY 62 Ca 0.05 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1ejm n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ejm s ILE 63 N -2.46 2.83 -0.03 -0.61 1.01 -1.26 -4.82 121.20 115.86 1ejm s ILE 63 Ca 0.00 0.81 0.07 0.00 0.00 0.00 0.00 60.65 61.54 1ejm s ILE 63 Cb 0.00 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 1ejm s ILE 63 CO 0.00 0.18 -0.25 -1.10 0.00 0.00 0.00 174.94 173.77 1ejm s GLN 64 N -1.54 2.20 -0.18 2.79 -0.21 -0.50 -0.75 119.66 121.48 1ejm s GLN 64 Ca 0.50 -0.91 -0.07 0.00 0.02 0.00 0.00 55.36 54.89 1ejm s GLN 64 Cb -0.39 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 1ejm s GLN 64 CO 0.50 0.53 0.05 0.08 -2.12 0.00 0.00 175.29 174.33 1ejm s VAL 65 N -0.55 4.65 -0.24 1.09 1.01 0.26 -0.14 120.40 126.49 1ejm s VAL 65 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1ejm s VAL 65 Cb -0.11 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1ejm s VAL 65 CO -0.00 0.46 0.04 -0.60 0.00 0.00 0.00 175.10 175.00 1ejm s ARG 66 N 0.42 3.60 0.26 2.72 3.52 0.08 -1.00 118.95 128.55 1ejm s ARG 66 Ca 0.02 -0.51 0.07 0.00 -0.13 0.00 0.00 55.73 55.18 1ejm s ARG 66 Cb -0.13 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 1ejm s ARG 66 CO 0.01 -0.16 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.75 1ejm s LEU 67 N 1.49 2.50 -0.27 -0.88 1.02 -0.23 -1.30 118.68 121.01 1ejm s LEU 67 Ca 0.06 -1.14 0.00 0.00 0.02 0.00 0.00 54.13 53.06 1ejm s LEU 67 Cb -0.15 -0.66 0.00 0.00 0.02 0.00 0.00 46.19 45.41 1ejm s LEU 67 CO 0.02 -0.29 0.00 0.61 0.02 0.00 0.00 176.35 176.71 1ejm n GLY 69 N -0.53 0.50 2.70 -3.19 0.00 -1.25 -0.89 105.19 102.52 1ejm n GLY 69 Ca -0.06 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1ejm n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ejm s GLU 70 N -1.42 0.14 0.38 1.61 2.56 -1.26 -4.18 118.70 116.53 1ejm s GLU 70 Ca 0.00 0.25 0.10 0.00 0.00 0.00 0.00 54.97 55.33 1ejm s GLU 70 Cb 0.00 -0.76 0.76 0.00 2.00 0.00 0.00 34.13 36.13 1ejm s GLU 70 CO 0.00 -0.35 1.89 -0.44 -0.56 0.00 0.00 175.26 175.80 1ejm h ASP 71 N 8.40 0.17 -3.46 -1.70 3.32 -1.95 -3.40 116.42 117.80 1ejm h ASP 71 Ca -0.14 -0.04 -0.60 0.00 0.02 0.00 0.00 57.03 56.26 1ejm h ASP 71 Cb 1.12 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.53 1ejm h ASP 71 CO 0.19 0.39 0.44 0.21 -1.72 0.00 0.00 179.24 178.75 1ejm s ASN 72 N -6.90 6.64 0.36 6.45 2.47 -1.26 -1.46 114.94 121.24 1ejm s ASN 72 Ca -0.05 0.58 0.27 0.00 0.42 0.00 0.00 52.86 54.08 1ejm s ASN 72 Cb 0.15 -2.42 1.13 0.00 -1.45 0.00 0.00 41.25 38.66 1ejm s ASN 72 CO 0.73 -0.69 1.81 -0.29 -3.72 0.00 0.00 177.10 174.94 1ejm h ILE 73 N 5.68 0.00 0.01 -5.21 6.09 -1.04 -3.27 117.51 119.76 1ejm h ILE 73 Ca -0.24 -0.32 -0.34 0.00 -1.37 0.00 0.00 64.86 62.59 1ejm h ILE 73 Cb 1.09 1.14 -0.06 0.00 0.47 0.00 0.00 36.82 39.46 1ejm h ILE 73 CO 0.91 0.00 -2.09 0.59 -3.07 0.00 0.00 178.15 174.49 1ejm n ASN 74 N -2.52 0.56 -4.74 2.19 5.03 -1.26 -4.98 115.26 109.53 1ejm n ASN 74 Ca 0.02 0.18 -0.40 0.00 0.87 0.00 0.00 54.58 55.24 1ejm n ASN 74 Cb 0.25 0.40 0.02 0.00 -1.02 0.00 0.00 39.78 39.43 1ejm n ASN 74 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 1ejm n VAL 75 N -2.93 2.88 -4.92 2.41 3.14 -1.24 -5.03 118.33 112.64 1ejm n VAL 75 Ca -0.27 -0.50 -0.28 0.00 -2.96 0.00 0.00 64.34 60.33 1ejm n VAL 75 Cb 1.10 -1.74 -0.17 0.00 -1.06 0.00 0.00 33.84 31.97 1ejm n VAL 75 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1ejm s VAL 76 N -1.21 1.61 -0.42 1.55 1.01 -1.26 -4.63 120.40 117.04 1ejm s VAL 76 Ca 0.63 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1ejm s VAL 76 Cb -0.46 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1ejm s VAL 76 CO 0.56 0.46 0.00 1.21 0.00 0.00 0.00 175.10 177.33 1ejm n GLU 77 N 3.48 -0.35 0.00 2.72 2.13 -1.26 -5.02 120.64 122.35 1ejm n GLU 77 Ca -0.20 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1ejm n GLU 77 Cb 0.52 -4.11 0.00 0.00 0.27 0.00 0.00 31.44 28.12 1ejm n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ejm n GLY 78 N -1.53 0.64 0.92 8.31 0.00 -1.26 -4.93 105.19 107.34 1ejm n GLY 78 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1ejm n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ejm n ASN 79 N 0.00 3.01 -4.84 1.61 5.03 -1.26 -5.00 115.26 113.81 1ejm n ASN 79 Ca 0.00 -1.89 -0.32 0.00 0.87 0.00 0.00 54.58 53.24 1ejm n ASN 79 Cb 0.00 -0.15 -0.01 0.00 -1.02 0.00 0.00 39.78 38.60 1ejm n ASN 79 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1ejm s GLU 80 N -1.41 3.65 -0.02 3.52 1.03 -1.26 -4.49 118.70 119.72 1ejm s GLU 80 Ca 0.30 0.94 0.04 0.00 0.03 0.00 0.00 54.97 56.28 1ejm s GLU 80 Cb 0.18 -2.09 -0.01 0.00 -0.80 0.00 0.00 34.13 31.42 1ejm s GLU 80 CO 0.26 -0.53 -0.13 -0.65 -1.33 0.00 0.00 175.26 172.88 1ejm s GLN 81 N -4.46 1.20 -0.22 -4.83 -0.21 -0.07 -4.86 119.66 106.20 1ejm s GLN 81 Ca 0.59 -0.47 -0.03 0.00 0.02 0.00 0.00 55.36 55.47 1ejm s GLN 81 Cb -0.12 -1.12 0.00 0.00 1.00 0.00 0.00 33.01 32.78 1ejm s GLN 81 CO 0.41 0.24 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.69 1ejm s PHE 82 N -0.13 2.97 -0.10 0.91 0.40 -1.26 -1.07 117.98 119.71 1ejm s PHE 82 Ca 0.02 -1.19 0.01 0.00 -0.60 0.00 0.00 56.93 55.16 1ejm s PHE 82 Cb -0.07 -2.07 0.02 0.00 0.51 0.00 0.00 43.02 41.40 1ejm s PHE 82 CO 0.00 -0.63 -0.10 0.42 0.70 0.00 0.00 175.22 175.62 1ejm s ILE 83 N 1.42 1.08 0.55 0.64 1.01 -0.17 -4.95 121.20 120.79 1ejm s ILE 83 Ca 0.04 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.12 1ejm s ILE 83 Cb -0.15 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 1ejm s ILE 83 CO -0.05 0.36 1.24 -0.44 0.00 0.00 0.00 174.94 176.06 1ejm s SER 84 N 1.30 5.39 -0.10 3.58 0.01 -1.26 -0.57 113.70 122.06 1ejm s SER 84 Ca -0.02 2.47 -0.29 0.00 1.31 0.00 0.00 55.95 59.42 1ejm s SER 84 Cb -0.14 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 1ejm s SER 84 CO -0.04 -1.46 0.97 0.00 0.41 0.00 0.00 173.24 173.12 1ejm s ALA 85 N -1.50 3.38 -0.09 1.44 0.00 0.07 -0.68 121.76 124.38 1ejm s ALA 85 Ca 0.73 0.34 0.14 0.00 0.00 0.00 0.00 51.96 53.18 1ejm s ALA 85 Cb -0.33 -3.37 -0.23 0.00 0.00 0.00 0.00 23.12 19.19 1ejm s ALA 85 CO 0.37 -0.53 0.50 -1.13 0.00 0.00 0.00 175.76 174.97 1ejm n SER 86 N 4.81 0.61 -3.89 0.00 3.41 0.76 -4.79 113.62 114.52 1ejm n SER 86 Ca 0.07 0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.86 1ejm n SER 86 Cb 0.49 0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 64.59 1ejm n SER 86 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ejm s LYS 87 N -2.59 0.10 -0.21 4.33 1.02 -1.14 -4.98 119.74 116.27 1ejm s LYS 87 Ca -0.06 -0.14 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 1ejm s LYS 87 Cb 0.07 0.04 0.07 0.00 -0.52 0.00 0.00 37.83 37.49 1ejm s LYS 87 CO 0.83 -0.02 0.04 -1.12 -0.92 0.00 0.00 175.35 174.16 1ejm s SER 88 N -0.38 3.12 -0.42 2.83 0.01 -1.26 -0.57 113.70 117.02 1ejm s SER 88 Ca -0.04 -0.95 -0.05 0.00 1.31 0.00 0.00 55.95 56.21 1ejm s SER 88 Cb -0.03 -0.65 0.11 0.00 0.21 0.00 0.00 66.02 65.66 1ejm s SER 88 CO -0.00 -0.32 0.24 -0.63 0.41 0.00 0.00 173.24 172.94 1ejm s ILE 89 N 1.81 3.58 0.35 1.44 1.01 0.13 -4.97 121.20 124.55 1ejm s ILE 89 Ca 0.00 -1.95 -0.25 0.00 0.00 0.00 0.00 60.65 58.46 1ejm s ILE 89 Cb -0.17 -3.41 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 1ejm s ILE 89 CO -0.11 -0.70 0.99 -0.69 0.00 0.00 0.00 174.94 174.43 1ejm s VAL 90 N 1.22 4.02 0.19 2.92 1.01 -1.26 -0.99 120.40 127.50 1ejm s VAL 90 Ca 0.07 1.62 -0.33 0.00 0.00 0.00 0.00 61.98 63.34 1ejm s VAL 90 Cb -0.24 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 1ejm s VAL 90 CO -0.03 0.08 1.53 1.57 0.00 0.00 0.00 175.10 178.25 1ejm n HIS 91 N 0.30 2.27 0.26 5.22 -0.00 -0.62 -4.82 115.22 117.83 1ejm n HIS 91 Ca 0.03 0.31 0.15 0.00 0.46 0.00 0.00 57.72 58.67 1ejm n HIS 91 Cb 0.50 -2.52 0.78 0.00 -0.12 0.00 0.00 29.99 28.62 1ejm n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ejm h PRO 92 N 5.40 0.00 -0.23 1.57 0.13 -1.92 -1.26 132.00 135.69 1ejm h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ejm h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ejm h PRO 92 CO 0.85 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.05 1ejm n SER 93 N -2.63 3.24 -4.72 1.44 7.64 -1.26 -5.02 113.62 112.32 1ejm n SER 93 Ca -0.02 -2.66 -0.42 0.00 1.01 0.00 0.00 58.87 56.78 1ejm n SER 93 Cb 0.21 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 1ejm n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ejm n TYR 94 N -0.36 2.74 -4.03 1.43 -0.00 -0.48 -4.68 117.16 111.79 1ejm n TYR 94 Ca 0.16 0.13 -0.33 0.00 -0.00 0.00 0.00 57.90 57.86 1ejm n TYR 94 Cb 0.67 -2.64 -0.15 0.00 -0.00 0.00 0.00 39.34 37.23 1ejm n TYR 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1ejm s ASN 95 N 0.92 4.27 0.00 2.98 3.84 -0.82 -4.99 114.94 121.14 1ejm s ASN 95 Ca 0.72 -1.15 0.22 0.00 0.21 0.00 0.00 52.86 52.86 1ejm s ASN 95 Cb -0.52 -1.59 1.25 0.00 -0.55 0.00 0.00 41.25 39.85 1ejm s ASN 95 CO 0.38 -0.16 1.72 -1.54 -2.79 0.00 0.00 177.10 174.72 1ejm n SER 96 N 4.54 0.00 -0.12 -4.21 3.41 -1.26 0.03 113.62 116.01 1ejm n SER 96 Ca -0.16 -0.41 -0.26 0.00 -0.26 0.00 0.00 58.87 57.78 1ejm n SER 96 Cb 0.45 -0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 1ejm n SER 96 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ejm n ASN 97 N -1.12 1.95 0.08 4.04 2.85 -1.26 -4.51 115.26 117.29 1ejm n ASN 97 Ca 0.14 0.28 0.11 0.00 -0.11 0.00 0.00 54.58 55.00 1ejm n ASN 97 Cb 0.12 -0.79 0.01 0.00 1.24 0.00 0.00 39.78 40.36 1ejm n ASN 97 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1ejm n THR 98 N -4.09 0.50 -1.07 -0.44 -2.24 -1.22 -4.96 114.28 100.76 1ejm n THR 98 Ca -0.47 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 60.81 1ejm n THR 98 Cb 0.87 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1ejm n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ejm n LEU 99 N -2.50 0.02 -4.77 3.22 4.77 0.10 -5.01 117.00 112.83 1ejm n LEU 99 Ca 0.00 0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 1ejm n LEU 99 Cb 0.53 -1.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1ejm n LEU 99 CO 0.40 -0.32 0.84 0.21 -1.33 0.00 0.00 177.39 177.19 1ejm s ASN 100 N -2.35 6.81 -1.12 -1.43 3.04 -1.22 -3.45 114.94 115.22 1ejm s ASN 100 Ca 0.00 2.35 -0.05 0.00 0.04 0.00 0.00 52.86 55.20 1ejm s ASN 100 Cb 0.00 -2.62 0.01 0.00 -1.54 0.00 0.00 41.25 37.09 1ejm s ASN 100 CO 0.00 -0.47 0.97 0.59 -3.04 0.00 0.00 177.10 175.15 1ejm n ASN 101 N 0.52 -4.43 -4.12 -4.21 3.02 -1.26 -1.93 115.26 102.85 1ejm n ASN 101 Ca 0.02 -0.49 -0.43 0.00 -0.03 0.00 0.00 54.58 53.65 1ejm n ASN 101 Cb 0.45 -4.45 0.00 0.00 -0.61 0.00 0.00 39.78 35.17 1ejm n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ejm n ASP 102 N -2.57 4.60 -3.85 6.41 2.03 -1.22 -4.16 116.55 117.79 1ejm n ASP 102 Ca -0.09 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.18 1ejm n ASP 102 Cb 0.59 -1.65 -0.10 0.00 -0.72 0.00 0.00 41.12 39.24 1ejm n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ejm s ILE 103 N 2.84 0.07 0.00 5.18 2.07 -1.26 -3.71 121.20 126.39 1ejm s ILE 103 Ca 0.47 -0.56 -0.12 0.00 -1.41 0.00 0.00 60.65 59.03 1ejm s ILE 103 Cb 0.08 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.25 1ejm s ILE 103 CO -0.01 -0.31 0.25 -0.32 -1.91 0.00 0.00 174.94 172.65 1ejm s MET 104 N -1.15 0.64 -0.08 3.50 -2.45 -0.07 -1.59 119.30 118.10 1ejm s MET 104 Ca -0.12 -0.31 0.04 0.00 -1.25 0.00 0.00 55.69 54.05 1ejm s MET 104 Cb -0.06 0.28 -0.01 0.00 1.25 0.00 0.00 34.83 36.28 1ejm s MET 104 CO 0.02 -0.17 -0.20 -0.51 1.05 0.00 0.00 175.02 175.20 1ejm s LEU 105 N -1.48 2.34 -0.12 4.11 1.43 -0.16 -1.37 118.68 123.43 1ejm s LEU 105 Ca -0.12 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1ejm s LEU 105 Cb -0.05 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.71 1ejm s LEU 105 CO 0.02 0.24 -0.23 -0.63 0.23 0.00 0.00 176.35 175.98 1ejm s ILE 106 N -0.11 2.04 -0.16 -0.59 1.01 0.27 0.18 121.20 123.84 1ejm s ILE 106 Ca -0.04 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 1ejm s ILE 106 Cb -0.14 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 1ejm s ILE 106 CO 0.04 0.55 0.16 -0.75 0.00 0.00 0.00 174.94 174.94 1ejm s LYS 107 N 0.60 3.89 0.27 2.79 2.20 0.26 -0.84 119.74 128.91 1ejm s LYS 107 Ca -0.13 -0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 55.12 1ejm s LYS 107 Cb -0.17 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 1ejm s LYS 107 CO 0.03 0.50 0.83 -0.51 -0.36 0.00 0.00 175.35 175.84 1ejm s LEU 108 N -0.23 4.34 0.39 5.43 1.43 0.59 -0.17 118.68 130.45 1ejm s LEU 108 Ca 0.12 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 54.90 1ejm s LEU 108 Cb -0.12 -3.80 0.79 0.00 0.03 0.00 0.00 46.19 43.09 1ejm s LEU 108 CO 0.01 -0.02 2.04 0.50 0.23 0.00 0.00 176.35 179.12 1ejm h LYS 109 N 3.28 0.64 -4.43 1.70 3.64 -1.21 -3.42 116.57 116.76 1ejm h LYS 109 Ca -0.47 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 58.69 1ejm h LYS 109 Cb 1.19 -0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.72 1ejm h LYS 109 CO 0.65 0.42 -0.68 -1.54 -2.27 0.00 0.00 179.45 176.04 1ejm s SER 110 N -6.61 0.67 0.20 4.20 1.04 -1.26 -5.00 113.70 106.95 1ejm s SER 110 Ca -0.09 -1.06 -0.30 0.00 0.48 0.00 0.00 55.95 54.98 1ejm s SER 110 Cb 0.18 0.19 -0.08 0.00 0.10 0.00 0.00 66.02 66.40 1ejm s SER 110 CO 0.74 -0.59 1.21 0.00 0.98 0.00 0.00 173.24 175.58 1ejm s ALA 111 N -3.85 3.45 0.29 5.32 0.00 -1.26 -4.85 121.76 120.85 1ejm s ALA 111 Ca 0.14 0.98 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 1ejm s ALA 111 Cb 0.07 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1ejm s ALA 111 CO -0.05 -0.39 0.92 0.00 0.00 0.00 0.00 175.76 176.24 1ejm s ALA 112 N -0.17 3.27 -0.28 0.00 0.00 -0.34 -5.00 121.76 119.24 1ejm s ALA 112 Ca 0.52 0.51 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 1ejm s ALA 112 Cb -0.33 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1ejm s ALA 112 CO 0.38 0.20 1.01 -1.12 0.00 0.00 0.00 175.76 176.23 1ejm s SER 113 N -1.49 6.96 0.03 0.00 0.01 -1.26 -4.83 113.70 113.13 1ejm s SER 113 Ca 0.47 1.13 -0.24 0.00 1.31 0.00 0.00 55.95 58.62 1ejm s SER 113 Cb -0.20 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 1ejm s SER 113 CO 0.26 -0.75 0.72 -0.76 0.41 0.00 0.00 173.24 173.12 1ejm s LEU 114 N 3.35 4.44 0.00 2.44 1.43 -1.26 -4.73 118.68 124.35 1ejm s LEU 114 Ca 0.43 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1ejm s LEU 114 Cb -0.14 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.94 1ejm s LEU 114 CO 0.11 0.04 0.00 -0.46 0.23 0.00 0.00 176.35 176.27 1ejm n ASN 115 N 2.76 0.00 0.26 2.29 0.23 0.18 -4.95 115.26 116.03 1ejm n ASN 115 Ca -0.04 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.17 1ejm n ASN 115 Cb 0.50 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.82 1ejm n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1ejm h SER 116 N 0.00 0.00 0.15 0.53 4.64 -1.99 -2.89 113.55 113.99 1ejm h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ejm h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ejm h SER 116 CO 0.00 0.04 -1.44 0.54 -0.87 0.00 0.00 176.83 175.10 1ejm n ARG 117 N -3.15 0.38 -3.73 4.77 1.74 -1.26 -4.75 116.66 110.66 1ejm n ARG 117 Ca 0.01 -0.08 -0.26 0.00 -0.77 0.00 0.00 57.85 56.74 1ejm n ARG 117 Cb 0.34 -1.55 -0.17 0.00 -1.02 0.00 0.00 32.46 30.07 1ejm n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ejm s VAL 118 N -3.29 0.42 0.04 1.55 1.01 -1.09 -3.97 120.40 115.07 1ejm s VAL 118 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 1ejm s VAL 118 Cb 0.14 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1ejm s VAL 118 CO 0.87 -0.10 0.27 0.00 0.00 0.00 0.00 175.10 176.14 1ejm s ALA 119 N 1.92 -0.59 0.43 5.51 0.00 -0.64 0.47 121.76 128.86 1ejm s ALA 119 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1ejm s ALA 119 Cb -0.16 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1ejm s ALA 119 CO -0.07 -0.38 0.76 -1.54 0.00 0.00 0.00 175.76 174.52 1ejm s SER 120 N -2.01 6.38 -0.08 0.00 1.04 -1.26 -2.86 113.70 114.91 1ejm s SER 120 Ca -0.06 0.99 -0.00 0.00 0.48 0.00 0.00 55.95 57.35 1ejm s SER 120 Cb -0.01 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 1ejm s SER 120 CO -0.03 -0.47 -0.05 -0.51 0.98 0.00 0.00 173.24 173.17 1ejm s ILE 121 N -2.53 3.87 0.44 -1.02 1.10 -0.16 -4.88 121.20 118.02 1ejm s ILE 121 Ca 0.49 -0.41 -0.23 0.00 -0.51 0.00 0.00 60.65 59.98 1ejm s ILE 121 Cb -0.10 -2.61 -0.08 0.00 0.15 0.00 0.00 42.46 39.82 1ejm s ILE 121 CO 0.38 0.59 1.13 -0.44 -2.11 0.00 0.00 174.94 174.48 1ejm s SER 122 N -0.67 6.34 0.61 4.50 0.01 -1.26 -4.64 113.70 118.59 1ejm s SER 122 Ca 0.10 2.22 -0.12 0.00 1.31 0.00 0.00 55.95 59.46 1ejm s SER 122 Cb -0.12 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1ejm s SER 122 CO 0.02 -0.79 1.02 -0.76 0.41 0.00 0.00 173.24 173.14 1ejm s LEU 123 N -2.94 3.28 0.54 2.44 1.43 -1.26 -1.26 118.68 120.91 1ejm s LEU 123 Ca 0.62 1.44 -0.18 0.00 -1.03 0.00 0.00 54.13 54.98 1ejm s LEU 123 Cb -0.26 -4.48 -0.06 0.00 0.03 0.00 0.00 46.19 41.42 1ejm s LEU 123 CO 0.32 -0.84 1.06 -2.16 0.23 0.00 0.00 176.35 174.96 1ejm s PRO 124 N -5.03 3.52 -0.01 1.29 0.04 -1.26 -4.72 135.00 128.83 1ejm s PRO 124 Ca 0.56 1.34 0.20 0.00 0.04 0.00 0.00 61.00 63.13 1ejm s PRO 124 Cb -0.11 -2.05 -0.25 0.00 0.04 0.00 0.00 34.50 32.13 1ejm s PRO 124 CO 0.51 -0.66 0.71 0.25 0.04 0.00 0.00 177.00 177.85 1ejm n THR 125 N -1.46 0.00 -3.63 1.26 -2.24 -1.26 -4.98 114.28 101.97 1ejm n THR 125 Ca 0.09 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 1ejm n THR 125 Cb 0.52 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 1ejm n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ejm s SER 127 N -3.39 -0.37 0.35 3.42 1.04 -1.26 -5.16 113.70 108.33 1ejm s SER 127 Ca 0.02 -0.26 -0.26 0.00 0.48 0.00 0.00 55.95 55.94 1ejm s SER 127 Cb 0.14 0.59 -0.09 0.00 0.10 0.00 0.00 66.02 66.75 1ejm s SER 127 CO 0.83 -1.02 1.01 0.00 0.98 0.00 0.00 173.24 175.04 1ejm s ALA 129 N -1.58 2.90 0.19 0.00 0.00 -1.26 -5.06 121.76 116.95 1ejm s ALA 129 Ca 0.53 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.85 1ejm s ALA 129 Cb -0.22 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1ejm s ALA 129 CO 0.28 -0.48 0.23 -1.54 0.00 0.00 0.00 175.76 174.24 1ejm s SER 130 N -2.82 5.93 0.38 0.00 1.04 -1.26 -5.05 113.70 111.91 1ejm s SER 130 Ca 0.62 -0.02 -0.26 0.00 0.48 0.00 0.00 55.95 56.77 1ejm s SER 130 Cb -0.13 -1.66 -0.12 0.00 0.10 0.00 0.00 66.02 64.21 1ejm s SER 130 CO 0.32 0.02 1.09 0.00 0.98 0.00 0.00 173.24 175.66 1ejm n ALA 132 N -0.74 0.45 0.00 5.32 0.00 -1.26 -1.98 120.51 122.30 1ejm n ALA 132 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ejm n ALA 132 Cb 0.55 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1ejm n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ejm n GLY 133 N 1.07 3.15 3.72 0.00 0.00 0.42 -4.95 105.19 108.60 1ejm n GLY 133 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1ejm n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ejm n THR 134 N -0.90 0.23 -2.94 2.61 -1.04 -0.84 -4.56 114.28 106.85 1ejm n THR 134 Ca 0.00 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.05 61.55 1ejm n THR 134 Cb 0.00 -1.91 -0.05 0.00 -1.82 0.00 0.00 70.33 66.55 1ejm n THR 134 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ejm s GLN 135 N 0.76 4.53 0.24 -2.82 2.00 -1.26 -1.39 119.66 121.73 1ejm s GLN 135 Ca 0.73 1.13 0.04 0.00 -2.00 0.00 0.00 55.36 55.27 1ejm s GLN 135 Cb -0.53 -3.37 -0.05 0.00 0.80 0.00 0.00 33.01 29.86 1ejm s GLN 135 CO 0.37 0.27 -0.02 0.00 -0.50 0.00 0.00 175.29 175.41 1ejm s LEU 137 N -3.34 3.05 -0.08 0.00 2.96 0.14 -1.22 118.68 120.19 1ejm s LEU 137 Ca 0.29 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1ejm s LEU 137 Cb 0.05 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1ejm s LEU 137 CO 0.09 -0.05 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.37 1ejm s ILE 138 N 1.47 3.65 0.05 6.68 1.01 0.38 -1.32 121.20 133.12 1ejm s ILE 138 Ca 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 1ejm s ILE 138 Cb -0.15 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1ejm s ILE 138 CO -0.03 0.58 0.06 -0.94 0.00 0.00 0.00 174.94 174.62 1ejm s SER 139 N -0.59 0.28 0.00 3.58 1.04 -1.18 -0.46 113.70 116.37 1ejm s SER 139 Ca 0.09 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1ejm s SER 139 Cb -0.12 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1ejm s SER 139 CO 0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1ejm n GLY 140 N 0.41 -0.01 1.33 7.32 0.00 -0.79 -4.33 105.19 109.12 1ejm n GLY 140 Ca -0.17 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 44.75 1ejm n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ejm n TRP 141 N -0.53 1.50 -1.58 1.61 8.01 -1.26 -1.75 117.44 123.43 1ejm n TRP 141 Ca 0.00 -1.27 -0.30 0.00 -1.31 0.00 0.00 57.50 54.62 1ejm n TRP 141 Cb 0.00 -0.51 0.23 0.00 -2.01 0.00 0.00 31.31 29.02 1ejm n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ejm s GLY 142 N -1.89 1.73 0.24 6.99 0.00 -1.25 -4.41 107.32 108.73 1ejm s GLY 142 Ca 0.47 -1.24 -0.31 0.00 0.00 0.00 0.00 44.72 43.64 1ejm s GLY 142 CO 0.07 -0.36 1.29 -2.01 0.00 0.00 0.00 173.10 172.09 1ejm n ASN 143 N -4.30 2.24 -0.97 1.64 2.85 0.01 -2.92 115.26 113.82 1ejm n ASN 143 Ca 0.16 1.15 0.12 0.00 -0.11 0.00 0.00 54.58 55.90 1ejm n ASN 143 Cb 0.59 -1.37 0.12 0.00 1.24 0.00 0.00 39.78 40.37 1ejm n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1ejm n THR 144 N 1.43 0.10 -5.07 -0.44 -2.24 -0.38 -1.16 114.28 106.52 1ejm n THR 144 Ca 0.11 -0.55 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 1ejm n THR 144 Cb 0.30 1.38 -0.15 0.00 -2.10 0.00 0.00 70.33 69.76 1ejm n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ejm s LYS 145 N -1.83 2.59 0.03 -0.78 3.01 -1.26 -4.37 119.74 117.13 1ejm s LYS 145 Ca 0.29 -0.81 0.11 0.00 -1.01 0.00 0.00 55.97 54.55 1ejm s LYS 145 Cb 0.20 -2.29 -0.21 0.00 -1.01 0.00 0.00 37.83 34.52 1ejm s LYS 145 CO 0.29 0.47 0.93 0.66 0.51 0.00 0.00 175.35 178.21 1ejm h SER 146 N 5.83 0.00 -0.05 2.83 4.64 -1.92 -3.36 113.55 121.52 1ejm h SER 146 Ca -0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1ejm h SER 146 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1ejm h SER 146 CO 0.49 0.96 -0.39 -1.20 -0.87 0.00 0.00 176.83 175.82 1ejm n SER 147 N -3.16 1.89 0.00 4.97 7.64 -1.26 -4.58 113.62 119.12 1ejm n SER 147 Ca -0.10 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 55.97 1ejm n SER 147 Cb 0.99 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1ejm n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ejm n GLY 148 N -1.14 2.58 2.86 0.23 0.00 -1.26 -5.16 105.19 103.31 1ejm n GLY 148 Ca 0.21 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 1ejm n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ejm s THR 149 N -0.96 -0.35 -0.30 2.61 2.01 -1.26 -4.71 115.64 112.67 1ejm s THR 149 Ca 0.00 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.14 1ejm s THR 149 Cb 0.00 -0.53 0.17 0.00 0.01 0.00 0.00 72.50 72.15 1ejm s THR 149 CO 0.00 -0.02 0.44 -0.55 -0.69 0.00 0.00 174.62 173.79 1ejm s SER 150 N 2.36 0.15 -0.14 3.53 0.15 -1.26 -4.97 113.70 113.52 1ejm s SER 150 Ca 0.04 -0.44 -0.19 0.00 0.70 0.00 0.00 55.95 56.06 1ejm s SER 150 Cb -0.14 1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 65.34 1ejm s SER 150 CO -0.10 -0.33 0.55 -0.31 1.20 0.00 0.00 173.24 174.25 1ejm s TYR 151 N 2.46 3.47 0.65 3.44 2.02 -1.26 -1.25 117.35 126.87 1ejm s TYR 151 Ca 0.10 0.93 -0.12 0.00 -0.37 0.00 0.00 57.07 57.61 1ejm s TYR 151 Cb -0.12 -2.66 -0.02 0.00 -0.40 0.00 0.00 41.96 38.76 1ejm s TYR 151 CO -0.27 0.04 1.05 -1.25 -1.57 0.00 0.00 175.55 173.55 1ejm s PRO 152 N 1.09 3.23 -0.01 -1.71 0.04 -1.26 -5.00 135.00 131.38 1ejm s PRO 152 Ca 0.28 0.95 0.14 0.00 0.04 0.00 0.00 61.00 62.40 1ejm s PRO 152 Cb -0.16 -2.03 -0.20 0.00 0.04 0.00 0.00 34.50 32.15 1ejm s PRO 152 CO 0.11 -0.87 0.73 -0.44 0.04 0.00 0.00 177.00 176.58 1ejm h ASP 153 N -0.31 0.00 -3.17 6.66 3.32 -1.94 -3.46 116.42 117.52 1ejm h ASP 153 Ca -0.45 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 55.97 1ejm h ASP 153 Cb 1.20 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.62 1ejm h ASP 153 CO 0.58 0.88 -0.71 0.68 -1.72 0.00 0.00 179.24 178.96 1ejm s VAL 154 N -2.69 3.43 0.29 -1.35 -7.23 -1.26 -0.54 120.40 111.05 1ejm s VAL 154 Ca -0.04 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1ejm s VAL 154 Cb 0.08 -2.67 -0.12 0.00 0.56 0.00 0.00 36.38 34.23 1ejm s VAL 154 CO 0.82 -0.03 1.62 -0.22 -0.31 0.00 0.00 175.10 176.98 1ejm s LEU 155 N -2.63 4.34 0.07 1.32 2.96 -0.54 -4.87 118.68 119.33 1ejm s LEU 155 Ca 0.24 2.97 0.04 0.00 -0.22 0.00 0.00 54.13 57.17 1ejm s LEU 155 Cb -0.10 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1ejm s LEU 155 CO 0.16 -0.94 -0.00 -0.54 -1.32 0.00 0.00 176.35 173.70 1ejm s LYS 156 N -0.42 2.60 0.17 1.98 -0.14 -0.72 -1.85 119.74 121.36 1ejm s LYS 156 Ca 0.64 -0.78 0.09 0.00 -1.36 0.00 0.00 55.97 54.56 1ejm s LYS 156 Cb -0.48 -2.57 -0.04 0.00 -1.68 0.00 0.00 37.83 33.06 1ejm s LYS 156 CO 0.47 0.56 -0.20 0.00 -0.76 0.00 0.00 175.35 175.43 1ejm s LEU 158 N -2.64 0.09 -0.22 0.00 2.96 0.40 -0.64 118.68 118.62 1ejm s LEU 158 Ca 0.17 0.84 -0.15 0.00 -0.22 0.00 0.00 54.13 54.77 1ejm s LEU 158 Cb -0.06 1.29 -0.04 0.00 0.50 0.00 0.00 46.19 47.88 1ejm s LEU 158 CO 0.07 -0.18 0.35 -0.54 -1.32 0.00 0.00 176.35 174.74 1ejm s LYS 159 N 1.11 4.12 -0.06 1.98 -0.14 -1.26 -0.47 119.74 125.03 1ejm s LYS 159 Ca -0.07 0.09 -0.11 0.00 -1.36 0.00 0.00 55.97 54.51 1ejm s LYS 159 Cb -0.07 -3.57 0.02 0.00 -1.68 0.00 0.00 37.83 32.53 1ejm s LYS 159 CO -0.09 -0.08 0.27 0.00 -0.76 0.00 0.00 175.35 174.69 1ejm s ALA 160 N 1.45 -0.68 0.29 5.17 0.00 -0.36 -4.95 121.76 122.68 1ejm s ALA 160 Ca 0.16 0.48 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 1ejm s ALA 160 Cb -0.15 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 1ejm s ALA 160 CO 0.08 -0.20 0.62 -1.25 0.00 0.00 0.00 175.76 175.02 1ejm s PRO 161 N -0.65 3.81 0.11 0.00 0.04 -1.26 -0.28 135.00 136.77 1ejm s PRO 161 Ca -0.07 0.34 -0.30 0.00 0.04 0.00 0.00 61.00 61.01 1ejm s PRO 161 Cb -0.04 -2.56 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 1ejm s PRO 161 CO 0.02 0.21 1.07 0.42 0.04 0.00 0.00 177.00 178.76 1ejm s ILE 162 N -1.98 4.21 0.39 0.56 1.01 -0.48 -1.28 121.20 123.63 1ejm s ILE 162 Ca 0.49 1.77 -0.06 0.00 0.00 0.00 0.00 60.65 62.84 1ejm s ILE 162 Cb -0.11 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1ejm s ILE 162 CO 0.23 0.24 0.69 -0.76 0.00 0.00 0.00 174.94 175.34 1ejm s LEU 163 N 0.22 3.84 0.61 2.97 1.43 0.11 -0.44 118.68 127.43 1ejm s LEU 163 Ca 0.51 0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 54.31 1ejm s LEU 163 Cb -0.27 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 1ejm s LEU 163 CO 0.31 -0.39 1.19 -0.94 0.23 0.00 0.00 176.35 176.75 1ejm s SER 164 N -3.58 5.12 0.22 2.29 1.04 -1.26 -4.60 113.70 112.93 1ejm s SER 164 Ca 0.47 2.32 -0.09 0.00 0.48 0.00 0.00 55.95 59.13 1ejm s SER 164 Cb -0.10 -2.59 0.23 0.00 0.10 0.00 0.00 66.02 63.66 1ejm s SER 164 CO 0.36 -1.64 1.85 -0.78 0.98 0.00 0.00 173.24 174.01 1ejm h ASP 165 N 0.69 0.75 -0.84 7.02 3.58 -1.96 -0.59 116.42 125.07 1ejm h ASP 165 Ca -0.50 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 1ejm h ASP 165 Cb 1.29 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.14 1ejm h ASP 165 CO 0.55 0.51 0.49 0.77 -2.88 0.00 0.00 179.24 178.67 1ejm h SER 166 N 0.89 1.03 -0.52 2.28 4.64 -1.99 -0.55 113.55 119.33 1ejm h SER 166 Ca 0.31 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 1ejm h SER 166 Cb 0.06 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 1ejm h SER 166 CO -0.13 0.81 0.14 -1.28 -0.87 0.00 0.00 176.83 175.50 1ejm h SER 167 N 1.16 0.78 0.10 4.97 0.87 -1.74 -1.20 113.55 118.49 1ejm h SER 167 Ca 0.30 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1ejm h SER 167 Cb -0.01 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1ejm h SER 167 CO -0.05 0.80 -0.05 0.00 -0.53 0.00 0.00 176.83 177.00 1ejm h LYS 169 N -0.15 0.24 -0.12 0.00 1.57 -1.03 -0.76 116.57 116.31 1ejm h LYS 169 Ca -0.01 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1ejm h LYS 169 Cb 0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1ejm h LYS 169 CO 0.02 0.36 -0.51 0.77 -0.57 0.00 0.00 179.45 179.52 1ejm h SER 170 N 0.23 0.37 -0.20 0.86 0.02 -0.93 -1.66 113.55 112.24 1ejm h SER 170 Ca 0.05 -0.19 -0.19 0.00 -0.84 0.00 0.00 61.79 60.62 1ejm h SER 170 Cb 0.35 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.79 1ejm h SER 170 CO 0.02 0.82 -0.60 0.00 -1.14 0.00 0.00 176.83 175.93 1ejm h ALA 171 N 1.19 0.35 -2.40 3.77 0.00 -0.56 -3.38 119.26 118.23 1ejm h ALA 171 Ca 0.01 -0.54 -0.59 0.00 0.00 0.00 0.00 54.91 53.79 1ejm h ALA 171 Cb 0.99 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.34 1ejm h ALA 171 CO 0.08 0.60 -0.76 0.66 0.00 0.00 0.00 179.25 179.84 1ejm n TYR 172 N -4.05 2.00 -1.65 0.00 4.02 -0.36 -4.93 117.16 112.20 1ejm n TYR 172 Ca -0.06 -3.94 -0.48 0.00 -0.01 0.00 0.00 57.90 53.40 1ejm n TYR 172 Cb 0.65 -0.41 -0.05 0.00 -0.02 0.00 0.00 39.34 39.52 1ejm n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1ejm n PRO 173 N 1.54 1.80 -1.43 -0.72 -0.02 -0.63 -2.17 135.00 133.37 1ejm n PRO 173 Ca 0.25 0.65 -0.15 0.00 -2.02 0.00 0.00 63.50 62.24 1ejm n PRO 173 Cb 0.43 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 1ejm n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ejm n GLY 174 N 3.23 1.50 0.00 -1.23 0.00 -1.26 -4.83 105.19 102.60 1ejm n GLY 174 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ejm n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ejm n GLN 175 N -2.24 2.53 -3.18 1.61 6.02 -0.92 -5.02 117.38 116.18 1ejm n GLN 175 Ca -0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.43 1ejm n GLN 175 Cb 0.53 -0.75 -0.07 0.00 1.02 0.00 0.00 30.24 30.97 1ejm n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ejm s ILE 176 N -1.36 4.99 0.62 5.09 -1.09 -1.24 -5.02 121.20 123.20 1ejm s ILE 176 Ca 0.00 0.69 0.01 0.00 -2.23 0.00 0.00 60.65 59.12 1ejm s ILE 176 Cb 0.00 -3.95 0.07 0.00 -1.58 0.00 0.00 42.46 37.00 1ejm s ILE 176 CO 0.00 -0.12 0.86 0.42 -1.23 0.00 0.00 174.94 174.87 1ejm s THR 177 N 2.48 2.44 -1.26 2.92 -4.23 -1.26 -4.96 115.64 111.77 1ejm s THR 177 Ca 0.22 -0.64 0.12 0.00 -1.18 0.00 0.00 61.69 60.21 1ejm s THR 177 Cb -0.15 -2.79 0.17 0.00 1.34 0.00 0.00 72.50 71.07 1ejm s THR 177 CO 0.12 0.00 1.34 -1.54 -0.54 0.00 0.00 174.62 174.00 1ejm n SER 178 N -2.53 0.00 -1.54 3.99 3.41 -1.26 -2.17 113.62 113.51 1ejm n SER 178 Ca 0.11 0.26 0.08 0.00 -0.26 0.00 0.00 58.87 59.06 1ejm n SER 178 Cb 0.60 -0.37 0.35 0.00 -0.26 0.00 0.00 64.21 64.53 1ejm n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ejm n ASN 179 N -1.37 4.91 -4.13 4.04 3.02 -1.26 -4.94 115.26 115.53 1ejm n ASN 179 Ca 0.05 -2.70 -0.12 0.00 -0.03 0.00 0.00 54.58 51.78 1ejm n ASN 179 Cb 0.12 -0.60 -0.11 0.00 -0.61 0.00 0.00 39.78 38.58 1ejm n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ejm s MET 180 N -2.30 0.73 0.01 3.52 -1.94 -0.92 -1.27 119.30 117.13 1ejm s MET 180 Ca 0.50 -1.09 -0.14 0.00 -1.71 0.00 0.00 55.69 53.25 1ejm s MET 180 Cb 0.35 -0.31 0.02 0.00 2.01 0.00 0.00 34.83 36.90 1ejm s MET 180 CO 0.19 0.03 0.29 -0.59 -0.01 0.00 0.00 175.02 174.92 1ejm s PHE 181 N -2.55 -0.12 0.10 -0.03 -0.12 -0.57 -4.78 117.98 109.90 1ejm s PHE 181 Ca 0.02 0.09 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1ejm s PHE 181 Cb -0.02 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 1ejm s PHE 181 CO -0.02 -0.43 0.24 0.00 -0.05 0.00 0.00 175.22 174.96 1ejm s ALA 183 N -1.60 -0.81 0.00 0.00 0.00 -0.86 -0.71 121.76 117.77 1ejm s ALA 183 Ca 0.35 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1ejm s ALA 183 Cb -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1ejm s ALA 183 CO 0.28 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1ejm n GLY 1184N 2.19 0.48 2.86 0.00 0.00 -0.41 -2.85 105.19 107.46 1ejm n GLY 1184Ca -0.17 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 1ejm n GLY 1184CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ejm s TYR 184 N -2.46 0.70 0.42 1.61 1.51 -1.26 -4.39 117.35 113.48 1ejm s TYR 184 Ca 0.00 -0.19 0.35 0.00 -1.01 0.00 0.00 57.07 56.22 1ejm s TYR 184 Cb 0.00 -0.69 1.77 0.00 -0.11 0.00 0.00 41.96 42.93 1ejm s TYR 184 CO 0.00 -0.23 2.16 -0.07 -1.11 0.00 0.00 175.55 176.30 1ejm h LEU 185 N 7.50 0.00 -0.71 -1.29 3.38 -1.95 -1.82 115.31 120.42 1ejm h LEU 185 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ejm h LEU 185 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ejm h LEU 185 CO 0.42 0.04 0.00 1.05 0.09 0.00 0.00 178.44 180.04 1ejm h GLU 186 N 0.00 0.00 0.00 1.13 9.09 -1.95 0.37 114.58 123.22 1ejm h GLU 186 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ejm h GLU 186 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1ejm h GLU 186 CO 0.01 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.48 1ejm n GLY 187 N 0.55 -0.16 1.09 1.06 0.00 -0.68 -4.38 105.19 102.67 1ejm n GLY 187 Ca 0.02 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1ejm n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejm n GLY 1188N -0.33 2.97 2.91 -0.02 0.00 -0.30 -4.91 105.19 105.52 1ejm n GLY 1188Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1ejm n GLY 1188CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ejm s LYS 188 N -0.16 1.24 -0.03 1.61 1.02 -1.26 -3.47 119.74 118.68 1ejm s LYS 188 Ca 0.00 -0.19 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 1ejm s LYS 188 Cb 0.00 -1.26 0.12 0.00 -0.52 0.00 0.00 37.83 36.18 1ejm s LYS 188 CO 0.00 -0.16 1.32 0.34 -0.92 0.00 0.00 175.35 175.93 1ejm s ASP 189 N 1.32 -0.04 0.60 2.83 3.68 -0.89 -4.23 116.67 119.94 1ejm s ASP 189 Ca -0.03 -0.11 -0.01 0.00 2.13 0.00 0.00 52.55 54.52 1ejm s ASP 189 Cb -0.14 0.13 0.05 0.00 -1.45 0.00 0.00 42.92 41.51 1ejm s ASP 189 CO -0.03 -0.24 0.85 -0.94 0.13 0.00 0.00 175.17 174.95 1ejm s SER 190 N -3.06 5.07 0.22 -0.34 1.04 -1.26 -0.54 113.70 114.83 1ejm s SER 190 Ca 0.16 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 1ejm s SER 190 Cb 0.05 -0.85 0.02 0.00 0.10 0.00 0.00 66.02 65.34 1ejm s SER 190 CO -0.04 -1.33 0.35 0.00 0.98 0.00 0.00 173.24 173.20 1ejm n GLN 192 N -0.33 1.74 0.00 0.00 3.00 -1.26 -1.27 117.38 119.25 1ejm n GLN 192 Ca -0.02 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 1ejm n GLN 192 Cb 0.35 -2.32 0.00 0.00 0.00 0.00 0.00 30.24 28.27 1ejm n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ejm n GLY 193 N 2.85 0.26 0.02 1.08 0.00 -1.26 -0.81 105.19 107.33 1ejm n GLY 193 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1ejm n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ejm n ASP 194 N 0.00 0.36 -4.45 1.61 10.43 -0.40 -3.75 116.55 120.35 1ejm n ASP 194 Ca 0.00 -0.20 -0.45 0.00 2.57 0.00 0.00 54.79 56.71 1ejm n ASP 194 Cb 0.00 1.49 -0.02 0.00 1.84 0.00 0.00 41.12 44.43 1ejm n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1ejm n SER 195 N -2.10 -0.60 0.00 -2.24 7.64 -1.26 -1.02 113.62 114.04 1ejm n SER 195 Ca -0.01 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1ejm n SER 195 Cb 0.50 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1ejm n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ejm n GLY 196 N 1.77 2.80 3.66 0.23 0.00 0.02 0.33 105.19 114.00 1ejm n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1ejm n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ejm s GLY 197 N -1.65 1.59 0.39 -0.02 0.00 -0.19 -3.40 107.32 104.04 1ejm s GLY 197 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.39 1ejm s GLY 197 CO 0.00 0.43 0.87 2.56 0.00 0.00 0.00 173.10 176.96 1ejm s PRO 198 N -4.84 4.14 -0.32 2.90 0.04 -1.26 -1.42 135.00 134.24 1ejm s PRO 198 Ca 0.65 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1ejm s PRO 198 Cb -0.20 -2.27 0.10 0.00 0.04 0.00 0.00 34.50 32.18 1ejm s PRO 198 CO 0.59 0.03 0.09 0.08 0.04 0.00 0.00 177.00 177.83 1ejm s VAL 199 N -2.12 1.14 -0.18 -0.36 1.01 -0.72 -3.12 120.40 116.05 1ejm s VAL 199 Ca 0.59 -1.61 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 1ejm s VAL 199 Cb -0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1ejm s VAL 199 CO 0.15 -0.67 0.06 -0.69 0.00 0.00 0.00 175.10 173.95 1ejm s VAL 200 N 1.44 4.74 -0.08 2.92 1.01 -0.43 -1.24 120.40 128.76 1ejm s VAL 200 Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1ejm s VAL 200 Cb -0.18 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1ejm s VAL 200 CO -0.21 0.47 -0.10 0.00 0.00 0.00 0.00 175.10 175.25 1ejm n SER 202 N 4.25 -3.77 0.00 0.00 7.64 -1.26 -1.41 113.62 119.07 1ejm n SER 202 Ca -0.19 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1ejm n SER 202 Cb 0.51 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 1ejm n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ejm n GLY 203 N -1.68 0.29 3.28 0.23 0.00 -1.26 -5.01 105.19 101.05 1ejm n GLY 203 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1ejm n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ejm s LYS 204 N -0.86 1.73 -0.67 1.61 -0.14 -0.50 -4.16 119.74 116.74 1ejm s LYS 204 Ca 0.00 -0.94 -0.27 0.00 -1.36 0.00 0.00 55.97 53.40 1ejm s LYS 204 Cb 0.00 -1.78 0.02 0.00 -1.68 0.00 0.00 37.83 34.39 1ejm s LYS 204 CO 0.00 0.47 1.41 -1.17 -0.76 0.00 0.00 175.35 175.30 1ejm s LEU 209 N -0.91 3.25 0.02 3.17 2.96 -0.39 -1.06 118.68 125.72 1ejm s LEU 209 Ca 0.09 -0.13 0.22 0.00 -0.22 0.00 0.00 54.13 54.09 1ejm s LEU 209 Cb -0.09 -2.68 -0.24 0.00 0.50 0.00 0.00 46.19 43.68 1ejm s LEU 209 CO 0.01 -1.90 0.60 0.00 -1.32 0.00 0.00 176.35 173.74 1ejm n GLN 210 N 9.16 0.65 -4.04 1.98 1.13 -0.38 -4.09 117.38 121.78 1ejm n GLN 210 Ca 0.08 -0.09 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1ejm n GLN 210 Cb 0.50 -1.61 -0.07 0.00 0.11 0.00 0.00 30.24 29.16 1ejm n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ejm s GLY 211 N -4.57 0.77 -0.05 1.08 0.00 -0.83 -1.78 107.32 101.94 1ejm s GLY 211 Ca -0.06 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.55 1ejm s GLY 211 CO 0.87 -0.93 -0.07 -0.42 0.00 0.00 0.00 173.10 172.56 1ejm s ILE 212 N -4.04 0.69 0.13 0.90 1.01 -1.09 -1.75 121.20 117.06 1ejm s ILE 212 Ca 0.25 -0.22 -0.32 0.00 0.00 0.00 0.00 60.65 60.36 1ejm s ILE 212 Cb 0.03 -0.69 -0.12 0.00 0.01 0.00 0.00 42.46 41.69 1ejm s ILE 212 CO 0.07 0.26 1.75 0.52 0.00 0.00 0.00 174.94 177.53 1ejm n VAL 213 N 3.97 0.20 0.02 2.92 0.31 -0.51 -1.25 118.33 123.99 1ejm n VAL 213 Ca -0.25 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1ejm n VAL 213 Cb 0.51 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1ejm n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ejm n SER 214 N 4.74 0.19 -3.06 4.52 2.88 -1.10 -0.80 113.62 120.99 1ejm n SER 214 Ca 0.18 0.05 -0.10 0.00 -1.33 0.00 0.00 58.87 57.67 1ejm n SER 214 Cb 0.34 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1ejm n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ejm s TRP 215 N -1.24 0.37 0.00 0.66 1.48 -0.82 -4.91 118.94 114.47 1ejm s TRP 215 Ca 0.00 -0.91 0.00 0.00 -1.06 0.00 0.00 56.10 54.13 1ejm s TRP 215 Cb 0.00 0.58 0.00 0.00 -1.16 0.00 0.00 33.47 32.89 1ejm s TRP 215 CO 0.00 -1.44 0.00 0.41 -4.06 0.00 0.00 176.95 171.86 1ejm n GLY 216 N -0.54 1.05 3.51 3.67 0.00 -1.26 -0.14 105.19 111.48 1ejm n GLY 216 Ca -0.06 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1ejm n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ejm s SER 217 N 0.00 6.31 0.45 1.61 0.15 -1.26 -4.85 113.70 116.11 1ejm s SER 217 Ca 0.00 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1ejm s SER 217 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1ejm s SER 217 CO 0.00 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 173.84 1ejm n GLY 219 N 5.14 -0.22 2.80 9.45 0.00 -1.26 -4.69 105.19 116.42 1ejm n GLY 219 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1ejm n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejm n ALA 1221N 3.91 -0.81 -2.33 0.00 0.00 -1.26 -4.61 120.51 115.40 1ejm n ALA 1221Ca -0.24 0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 1ejm n ALA 1221Cb 0.52 -1.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.11 1ejm n ALA 1221CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ejm s GLN 221 N -5.18 3.83 0.28 0.00 -1.52 -1.26 -1.15 119.66 114.66 1ejm s GLN 221 Ca 0.06 0.36 -0.30 0.00 -1.95 0.00 0.00 55.36 53.53 1ejm s GLN 221 Cb -0.03 -2.56 -0.12 0.00 -0.22 0.00 0.00 33.01 30.08 1ejm s GLN 221 CO 0.08 0.22 1.59 1.17 -0.25 0.00 0.00 175.29 178.10 1ejm n LYS 222 N -0.43 2.63 -1.55 2.91 4.81 -1.26 -2.14 118.16 123.12 1ejm n LYS 222 Ca 0.01 0.94 -0.19 0.00 -0.87 0.00 0.00 58.31 58.20 1ejm n LYS 222 Cb 0.53 -2.71 -0.08 0.00 0.02 0.00 0.00 35.03 32.78 1ejm n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ejm n ASN 223 N 2.35 -5.52 -3.27 3.14 3.02 0.13 -4.91 115.26 110.20 1ejm n ASN 223 Ca 0.10 0.47 -0.25 0.00 -0.03 0.00 0.00 54.58 54.87 1ejm n ASN 223 Cb 0.36 -4.70 -0.07 0.00 -0.61 0.00 0.00 39.78 34.76 1ejm n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ejm n LYS 224 N -2.15 1.24 -1.14 3.52 5.02 -0.91 -4.80 118.16 118.94 1ejm n LYS 224 Ca -0.19 -3.66 -0.29 0.00 -2.02 0.00 0.00 58.31 52.15 1ejm n LYS 224 Cb 0.66 -1.54 0.18 0.00 -0.02 0.00 0.00 35.03 34.31 1ejm n LYS 224 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ejm s PRO 225 N -1.52 0.37 0.39 1.97 0.04 -1.26 -4.28 135.00 130.71 1ejm s PRO 225 Ca 0.36 0.53 -0.24 0.00 0.04 0.00 0.00 61.00 61.70 1ejm s PRO 225 Cb 0.16 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.88 1ejm s PRO 225 CO -0.08 -2.77 1.04 0.20 0.04 0.00 0.00 177.00 175.42 1ejm s GLY 226 N -3.42 2.73 -0.12 0.56 0.00 -1.13 -4.63 107.32 101.31 1ejm s GLY 226 Ca 0.65 0.67 -0.00 0.00 0.00 0.00 0.00 44.72 46.05 1ejm s GLY 226 CO 0.58 1.10 -0.11 0.14 0.00 0.00 0.00 173.10 174.80 1ejm s VAL 227 N -1.67 3.21 0.12 1.40 1.01 0.80 -2.02 120.40 123.24 1ejm s VAL 227 Ca 0.57 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1ejm s VAL 227 Cb -0.21 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1ejm s VAL 227 CO 0.27 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.39 1ejm s TYR 228 N 0.19 1.73 0.06 5.22 2.02 0.59 -1.94 117.35 125.23 1ejm s TYR 228 Ca -0.07 -0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 55.88 1ejm s TYR 228 Cb -0.15 -0.93 -0.06 0.00 -0.40 0.00 0.00 41.96 40.43 1ejm s TYR 228 CO 0.05 0.22 1.21 0.99 -1.57 0.00 0.00 175.55 176.46 1ejm s THR 229 N -1.46 3.98 -1.06 -0.71 2.01 -0.38 -1.52 115.64 116.50 1ejm s THR 229 Ca 0.08 1.42 -0.22 0.00 0.31 0.00 0.00 61.69 63.28 1ejm s THR 229 Cb -0.09 -3.91 0.06 0.00 0.01 0.00 0.00 72.50 68.57 1ejm s THR 229 CO 0.05 0.11 1.47 -0.75 -0.69 0.00 0.00 174.62 174.81 1ejm s LYS 230 N 1.09 3.65 0.46 4.92 2.20 -0.39 -2.65 119.74 129.02 1ejm s LYS 230 Ca 0.59 -1.30 0.19 0.00 -0.36 0.00 0.00 55.97 55.09 1ejm s LYS 230 Cb -0.30 -5.36 1.17 0.00 -1.51 0.00 0.00 37.83 31.83 1ejm s LYS 230 CO 0.29 -2.19 1.93 0.28 -0.36 0.00 0.00 175.35 175.31 1ejm h VAL 231 N 6.54 0.76 0.00 4.02 2.07 -1.65 -1.88 116.25 126.11 1ejm h VAL 231 Ca 0.24 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1ejm h VAL 231 Cb 0.99 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ejm h VAL 231 CO 1.41 0.05 0.00 0.00 0.02 0.00 0.00 177.57 179.06 1ejm n ASN 233 N -3.02 0.46 -0.04 0.00 3.02 -0.71 -3.97 115.26 111.00 1ejm n ASN 233 Ca -0.03 -0.52 0.03 0.00 -0.03 0.00 0.00 54.58 54.03 1ejm n ASN 233 Cb 0.08 -0.08 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 1ejm n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ejm n TYR 234 N -0.99 0.00 -0.18 3.10 4.01 -0.08 -4.82 117.16 118.20 1ejm n TYR 234 Ca 0.14 -0.61 -0.02 0.00 -0.16 0.00 0.00 57.90 57.24 1ejm n TYR 234 Cb 0.28 -0.08 0.08 0.00 -0.31 0.00 0.00 39.34 39.31 1ejm n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ejm h VAL 235 N 0.43 0.84 -0.42 -0.72 2.07 -1.67 0.18 116.25 116.95 1ejm h VAL 235 Ca 0.00 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.22 1ejm h VAL 235 Cb 0.72 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1ejm h VAL 235 CO 0.00 0.08 -0.33 0.77 0.02 0.00 0.00 177.57 178.11 1ejm h SER 236 N 0.42 1.01 -0.61 0.57 4.64 -1.90 -0.53 113.55 117.15 1ejm h SER 236 Ca 0.26 -0.44 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 1ejm h SER 236 Cb 0.27 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 1ejm h SER 236 CO -0.24 1.24 0.35 -0.25 -0.87 0.00 0.00 176.83 177.06 1ejm h TRP 237 N 0.80 0.64 0.02 4.77 7.01 -1.77 0.20 115.95 127.63 1ejm h TRP 237 Ca 0.08 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1ejm h TRP 237 Cb 0.92 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 1ejm h TRP 237 CO 0.06 0.33 -0.01 0.82 -2.79 0.00 0.00 178.44 176.85 1ejm h ILE 238 N 0.67 1.15 -0.18 2.65 2.04 -0.75 -0.57 117.51 122.52 1ejm h ILE 238 Ca 0.26 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1ejm h ILE 238 Cb 0.11 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1ejm h ILE 238 CO -0.14 0.13 0.11 0.11 0.00 0.00 0.00 178.15 178.35 1ejm h LYS 239 N -0.25 0.25 -0.39 2.37 1.57 -0.76 -1.58 116.57 117.77 1ejm h LYS 239 Ca -0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1ejm h LYS 239 Cb 0.24 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1ejm h LYS 239 CO 0.00 0.22 -0.07 1.96 -0.57 0.00 0.00 179.45 180.99 1ejm h GLN 240 N 0.21 0.66 -0.27 3.15 4.20 -0.62 -1.16 115.11 121.28 1ejm h GLN 240 Ca 0.06 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 1ejm h GLN 240 Cb 0.04 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1ejm h GLN 240 CO -0.01 0.73 -0.12 1.15 -0.67 0.00 0.00 178.83 179.91 1ejm h THR 241 N 0.61 1.29 -0.66 -0.54 2.02 -0.94 -1.35 112.91 113.35 1ejm h THR 241 Ca 0.11 -1.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 1ejm h THR 241 Cb 0.49 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1ejm h THR 241 CO 0.03 0.38 0.14 0.40 0.37 0.00 0.00 175.52 176.83 1ejm h ILE 242 N 0.30 1.26 -0.06 3.11 2.04 -1.19 -1.50 117.51 121.47 1ejm h ILE 242 Ca 0.06 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 1ejm h ILE 242 Cb 0.62 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1ejm h ILE 242 CO 0.04 0.37 -0.41 0.00 0.00 0.00 0.00 178.15 178.15 1ejm h ALA 243 N 1.15 1.20 -0.08 1.87 0.00 -1.10 -3.11 119.26 119.19 1ejm h ALA 243 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ejm h ALA 243 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ejm h ALA 243 CO 0.01 0.56 0.00 0.43 0.00 0.00 0.00 179.25 180.24 1ejm n SER 244 N -4.04 2.68 0.00 0.00 7.64 -0.52 -5.09 113.62 114.29 1ejm n SER 244 Ca -0.02 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1ejm n SER 244 Cb 0.46 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1ejm n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62