#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g36 s VAL 17 N 0.00 5.11 -0.50 1.39 1.01 0.29 -4.04 120.40 123.67 1g36 s VAL 17 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1g36 s VAL 17 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1g36 s VAL 17 CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1g36 n GLY 18 N 3.93 0.68 0.00 4.51 0.00 -1.24 -1.43 105.19 111.63 1g36 n GLY 18 Ca -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1g36 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g36 n GLY 19 N -2.21 1.76 3.10 -0.02 0.00 -1.26 -4.86 105.19 101.71 1g36 n GLY 19 Ca -0.05 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 1g36 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1g36 s TYR 20 N 2.04 0.42 -0.02 1.61 1.13 -0.18 -4.92 117.35 117.43 1g36 s TYR 20 Ca 0.00 -0.91 -0.30 0.00 -1.41 0.00 0.00 57.07 54.45 1g36 s TYR 20 Cb 0.00 -0.30 -0.07 0.00 -1.10 0.00 0.00 41.96 40.49 1g36 s TYR 20 CO 0.00 -0.39 1.71 0.99 -2.51 0.00 0.00 175.55 175.35 1g36 s THR 21 N -3.61 3.41 0.17 -3.49 2.01 -1.26 0.18 115.64 113.05 1g36 s THR 21 Ca 0.04 0.56 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 1g36 s THR 21 Cb 0.05 -3.36 0.05 0.00 0.01 0.00 0.00 72.50 69.25 1g36 s THR 21 CO -0.09 -0.04 1.83 0.00 -0.69 0.00 0.00 174.62 175.63 1g36 n GLY 23 N -1.23 2.95 3.64 0.00 0.00 -1.26 -4.82 105.19 104.46 1g36 n GLY 23 Ca 0.02 -1.47 -0.52 0.00 0.00 0.00 0.00 46.02 44.05 1g36 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g36 n ALA 24 N 1.04 -0.29 -2.03 4.61 0.00 -1.26 -2.47 120.51 120.11 1g36 n ALA 24 Ca 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.71 1g36 n ALA 24 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 17.22 1g36 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1g36 n ASN 25 N 3.70 -5.17 -0.01 0.00 3.02 -1.26 -4.86 115.26 110.68 1g36 n ASN 25 Ca 0.21 0.22 0.13 0.00 -0.03 0.00 0.00 54.58 55.11 1g36 n ASN 25 Cb 0.20 -4.44 0.46 0.00 -0.61 0.00 0.00 39.78 35.38 1g36 n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1g36 n THR 26 N -3.14 0.00 -3.54 3.41 -2.24 -1.03 -4.04 114.28 103.71 1g36 n THR 26 Ca -0.21 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 1g36 n THR 26 Cb 0.64 -0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 1g36 n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1g36 n VAL 27 N -1.45 0.69 0.30 2.28 0.31 -1.26 -4.98 118.33 114.22 1g36 n VAL 27 Ca 0.07 -4.44 0.20 0.00 -0.01 0.00 0.00 64.34 60.16 1g36 n VAL 27 Cb 0.33 -1.99 1.08 0.00 -0.91 0.00 0.00 33.84 32.35 1g36 n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1g36 h PRO 28 N 4.92 0.00 -0.01 5.55 0.13 -1.79 -2.43 132.00 138.37 1g36 h PRO 28 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1g36 h PRO 28 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1g36 h PRO 28 CO 0.61 0.00 -0.39 2.48 -0.23 0.00 0.00 178.00 180.47 1g36 n TYR 29 N -2.91 0.00 -2.35 1.56 0.18 -1.10 -1.95 117.16 110.59 1g36 n TYR 29 Ca -0.03 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.34 1g36 n TYR 29 Cb 0.07 -0.11 -0.03 0.00 -0.38 0.00 0.00 39.34 38.89 1g36 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1g36 s GLN 30 N -2.61 4.46 0.14 -3.48 2.00 -0.92 -0.96 119.66 118.29 1g36 s GLN 30 Ca 0.20 1.89 0.09 0.00 -2.00 0.00 0.00 55.36 55.54 1g36 s GLN 30 Cb 0.18 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.71 1g36 s GLN 30 CO 0.58 -0.15 -0.21 0.08 -0.50 0.00 0.00 175.29 175.10 1g36 s VAL 31 N 0.15 1.87 -0.14 1.34 1.01 -0.35 -4.43 120.40 119.85 1g36 s VAL 31 Ca 0.55 -1.76 0.01 0.00 0.00 0.00 0.00 61.98 60.77 1g36 s VAL 31 Cb -0.33 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 1g36 s VAL 31 CO 0.36 -0.15 -0.16 -0.55 0.00 0.00 0.00 175.10 174.59 1g36 s SER 32 N -2.29 3.66 -0.22 3.32 0.15 -0.70 -2.13 113.70 115.49 1g36 s SER 32 Ca 0.12 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 56.15 1g36 s SER 32 Cb -0.08 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.64 1g36 s SER 32 CO 0.06 0.11 0.48 -0.76 1.20 0.00 0.00 173.24 174.33 1g36 s LEU 33 N 0.65 4.12 -0.04 3.45 1.43 0.41 -0.67 118.68 128.04 1g36 s LEU 33 Ca -0.08 0.58 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 1g36 s LEU 33 Cb -0.16 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.43 1g36 s LEU 33 CO 0.02 -0.17 -0.15 0.21 0.23 0.00 0.00 176.35 176.49 1g36 s ASN 34 N 1.23 1.89 -0.34 2.29 3.84 0.28 -1.48 114.94 122.65 1g36 s ASN 34 Ca 0.22 -0.31 0.16 0.00 0.21 0.00 0.00 52.86 53.14 1g36 s ASN 34 Cb -0.15 -0.49 0.44 0.00 -0.55 0.00 0.00 41.25 40.50 1g36 s ASN 34 CO 0.09 0.14 0.94 -1.54 -2.79 0.00 0.00 177.10 173.94 1g36 n SER 37 N 3.14 1.79 0.00 -4.21 3.41 -1.26 -0.80 113.62 115.69 1g36 n SER 37 Ca -0.18 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.56 1g36 n SER 37 Cb 0.53 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1g36 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g36 n GLY 38 N -0.07 0.61 3.60 5.00 0.00 -1.26 -4.99 105.19 108.07 1g36 n GLY 38 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 1g36 n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1g36 s TYR 39 N -2.39 -0.14 0.00 1.61 1.13 -1.26 -5.14 117.35 111.16 1g36 s TYR 39 Ca 0.00 0.12 -0.30 0.00 -1.41 0.00 0.00 57.07 55.48 1g36 s TYR 39 Cb 0.00 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1g36 s TYR 39 CO 0.00 -0.21 1.14 -1.58 -2.51 0.00 0.00 175.55 172.39 1g36 s HIS 40 N -2.19 3.42 0.00 -3.49 5.65 -1.26 -4.26 115.29 113.16 1g36 s HIS 40 Ca 0.08 1.38 0.00 0.00 0.25 0.00 0.00 55.06 56.78 1g36 s HIS 40 Cb -0.01 -3.34 0.00 0.00 -1.18 0.00 0.00 32.58 28.05 1g36 s HIS 40 CO -0.05 -0.94 0.00 1.97 -0.65 0.00 0.00 174.74 175.07 1g36 n PHE 41 N 4.35 0.00 -3.50 3.88 -1.74 -0.55 -5.00 117.46 114.90 1g36 n PHE 41 Ca 0.09 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.87 1g36 n PHE 41 Cb 0.47 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.46 1g36 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1g36 n GLY 43 N -0.37 2.08 3.77 0.00 0.00 0.51 -0.45 105.19 110.74 1g36 n GLY 43 Ca -0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 46.02 43.63 1g36 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g36 s GLY 44 N -4.56 -0.17 -0.05 -0.02 0.00 -0.91 -3.74 107.32 97.87 1g36 s GLY 44 Ca 0.56 0.12 0.03 0.00 0.00 0.00 0.00 44.72 45.43 1g36 s GLY 44 CO 0.36 1.02 -0.12 -0.56 0.00 0.00 0.00 173.10 173.79 1g36 s SER 45 N -3.13 1.66 -0.22 1.64 0.01 -0.22 -1.21 113.70 112.23 1g36 s SER 45 Ca 0.16 -0.27 -0.27 0.00 1.31 0.00 0.00 55.95 56.88 1g36 s SER 45 Cb -0.00 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1g36 s SER 45 CO 0.02 0.07 0.95 -0.22 0.41 0.00 0.00 173.24 174.47 1g36 s LEU 46 N 0.35 4.11 -0.01 2.44 2.96 -0.13 -0.73 118.68 127.67 1g36 s LEU 46 Ca -0.08 1.26 0.17 0.00 -0.22 0.00 0.00 54.13 55.26 1g36 s LEU 46 Cb -0.12 -3.40 -0.22 0.00 0.50 0.00 0.00 46.19 42.95 1g36 s LEU 46 CO 0.02 -0.58 0.53 2.30 -1.32 0.00 0.00 176.35 177.30 1g36 n ILE 47 N 5.19 0.00 -3.84 6.68 -5.35 -0.43 -0.98 119.36 120.63 1g36 n ILE 47 Ca 0.09 -0.25 -0.06 0.00 -0.27 0.00 0.00 62.75 62.25 1g36 n ILE 47 Cb 0.47 0.54 0.02 0.00 -1.74 0.00 0.00 39.64 38.93 1g36 n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1g36 s ASN 48 N -3.27 0.01 0.65 7.28 2.20 -1.21 -4.62 114.94 115.98 1g36 s ASN 48 Ca -0.00 -0.95 0.42 0.00 -0.94 0.00 0.00 52.86 51.39 1g36 s ASN 48 Cb 0.12 0.70 2.27 0.00 -2.00 0.00 0.00 41.25 42.33 1g36 s ASN 48 CO 0.69 -1.39 2.33 0.77 -2.94 0.00 0.00 177.10 176.56 1g36 h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.96 -3.16 113.55 118.61 1g36 h SER 49 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1g36 h SER 49 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1g36 h SER 49 CO 0.39 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 178.02 1g36 n GLN 50 N -3.19 1.31 -4.36 4.77 7.27 -1.26 -0.09 117.38 121.84 1g36 n GLN 50 Ca -0.03 -0.97 -0.19 0.00 0.07 0.00 0.00 57.00 55.88 1g36 n GLN 50 Cb 0.09 -0.87 -0.15 0.00 2.41 0.00 0.00 30.24 31.73 1g36 n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1g36 s TRP 51 N -0.51 0.82 0.02 3.69 0.52 -1.20 -0.60 118.94 121.68 1g36 s TRP 51 Ca 0.00 -0.17 0.07 0.00 0.02 0.00 0.00 56.10 56.02 1g36 s TRP 51 Cb 0.00 -0.55 -0.02 0.00 -1.15 0.00 0.00 33.47 31.75 1g36 s TRP 51 CO 0.00 -0.04 -0.22 0.08 0.02 0.00 0.00 176.95 176.79 1g36 s VAL 52 N -0.07 1.75 -0.09 4.03 1.01 -0.09 -1.32 120.40 125.61 1g36 s VAL 52 Ca 0.01 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1g36 s VAL 52 Cb -0.05 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1g36 s VAL 52 CO -0.00 0.34 -0.07 0.54 0.00 0.00 0.00 175.10 175.91 1g36 s VAL 53 N -0.68 3.64 0.00 2.92 0.11 0.09 -0.23 120.40 126.25 1g36 s VAL 53 Ca 0.08 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1g36 s VAL 53 Cb -0.09 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.25 1g36 s VAL 53 CO 0.01 0.56 0.00 -0.24 -3.33 0.00 0.00 175.10 172.10 1g36 n SER 54 N 2.69 0.00 -4.87 3.54 2.88 0.40 -1.06 113.62 117.21 1g36 n SER 54 Ca -0.18 -0.63 -0.36 0.00 -1.33 0.00 0.00 58.87 56.38 1g36 n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1g36 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g36 s ALA 55 N -1.65 3.79 0.37 -1.46 0.00 -1.26 -0.76 121.76 120.80 1g36 s ALA 55 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1g36 s ALA 55 Cb 0.00 -2.17 0.75 0.00 0.00 0.00 0.00 23.12 21.70 1g36 s ALA 55 CO 0.00 0.58 2.00 0.00 0.00 0.00 0.00 175.76 178.34 1g36 h ALA 56 N 4.37 1.68 0.00 0.00 0.00 -1.69 -1.24 119.26 122.37 1g36 h ALA 56 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1g36 h ALA 56 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1g36 h ALA 56 CO 0.63 0.26 0.00 -2.39 0.00 0.00 0.00 179.25 177.75 1g36 n HIS 57 N -4.46 0.00 1.28 0.00 1.44 -1.26 -1.44 115.22 110.78 1g36 n HIS 57 Ca 0.08 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.92 1g36 n HIS 57 Cb 0.14 -0.25 0.36 0.00 0.12 0.00 0.00 29.99 30.36 1g36 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1g36 n TYR 59 N -0.17 2.59 -3.58 0.00 9.36 -0.52 -4.99 117.16 119.85 1g36 n TYR 59 Ca 0.14 0.47 -0.06 0.00 3.32 0.00 0.00 57.90 61.77 1g36 n TYR 59 Cb 0.38 -2.48 -0.03 0.00 -0.63 0.00 0.00 39.34 36.58 1g36 n TYR 59 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1g36 s LYS 60 N -1.63 0.44 0.48 2.98 2.20 -1.26 -5.15 119.74 117.80 1g36 s LYS 60 Ca 0.57 -0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 56.06 1g36 s LYS 60 Cb -0.53 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 35.98 1g36 s LYS 60 CO 0.60 -0.18 0.73 -1.54 -0.36 0.00 0.00 175.35 174.60 1g36 s SER 61 N -1.97 5.85 -0.53 1.43 1.04 -1.26 -4.51 113.70 113.75 1g36 s SER 61 Ca 0.07 0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.95 1g36 s SER 61 Cb -0.01 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.43 1g36 s SER 61 CO -0.05 -0.75 0.45 0.61 0.98 0.00 0.00 173.24 174.48 1g36 n GLY 62 N -2.20 0.19 3.72 7.32 0.00 -1.26 -5.01 105.19 107.95 1g36 n GLY 62 Ca 0.02 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1g36 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g36 s ILE 63 N -3.14 5.30 -0.16 -0.61 1.01 -1.26 -4.53 121.20 117.80 1g36 s ILE 63 Ca 0.10 0.58 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 1g36 s ILE 63 Cb -0.04 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1g36 s ILE 63 CO 0.31 0.38 -0.13 -1.58 0.00 0.00 0.00 174.94 173.92 1g36 s GLN 64 N 0.51 3.30 -0.18 2.79 0.74 0.02 -1.91 119.66 124.93 1g36 s GLN 64 Ca 0.17 -0.70 -0.19 0.00 0.05 0.00 0.00 55.36 54.69 1g36 s GLN 64 Cb -0.13 -2.70 -0.03 0.00 1.10 0.00 0.00 33.01 31.25 1g36 s GLN 64 CO 0.04 0.03 0.54 0.08 -0.55 0.00 0.00 175.29 175.43 1g36 s VAL 65 N 0.80 5.10 -0.34 1.34 1.01 0.60 -0.56 120.40 128.36 1g36 s VAL 65 Ca -0.05 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 1g36 s VAL 65 Cb -0.15 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.42 1g36 s VAL 65 CO 0.01 0.20 0.08 -0.13 0.00 0.00 0.00 175.10 175.25 1g36 s ARG 66 N 1.47 2.45 0.25 2.72 0.52 0.16 -0.95 118.95 125.57 1g36 s ARG 66 Ca 0.26 -1.32 0.02 0.00 -0.52 0.00 0.00 55.73 54.16 1g36 s ARG 66 Cb -0.15 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1g36 s ARG 66 CO 0.10 -0.72 0.41 -0.51 0.02 0.00 0.00 175.30 174.61 1g36 s LEU 67 N 1.30 4.21 -1.34 2.53 2.01 -0.05 -1.73 118.68 125.62 1g36 s LEU 67 Ca -0.02 0.30 0.00 0.00 0.01 0.00 0.00 54.13 54.42 1g36 s LEU 67 Cb -0.20 -3.09 0.00 0.00 0.01 0.00 0.00 46.19 42.90 1g36 s LEU 67 CO 0.00 -0.11 0.00 0.61 1.01 0.00 0.00 176.35 177.86 1g36 n GLY 69 N -1.16 0.16 3.87 -3.19 0.00 -1.26 -1.41 105.19 102.19 1g36 n GLY 69 Ca -0.06 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1g36 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g36 s GLU 70 N -4.40 3.84 0.00 1.61 0.41 -1.26 -4.03 118.70 114.87 1g36 s GLU 70 Ca 0.00 0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 1g36 s GLU 70 Cb 0.00 -2.62 0.00 0.00 -1.78 0.00 0.00 34.13 29.73 1g36 s GLU 70 CO 0.00 0.30 0.00 -3.47 -0.49 0.00 0.00 175.26 171.60 1g36 n ASP 71 N -0.14 0.00 -4.59 -0.19 2.03 -1.26 -4.58 116.55 107.82 1g36 n ASP 71 Ca 0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.89 1g36 n ASP 71 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 1g36 n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1g36 s ASN 72 N -0.86 6.63 0.00 1.67 3.84 -1.25 -3.16 114.94 121.81 1g36 s ASN 72 Ca 0.00 0.45 0.24 0.00 0.21 0.00 0.00 52.86 53.76 1g36 s ASN 72 Cb 0.00 -2.49 1.19 0.00 -0.55 0.00 0.00 41.25 39.40 1g36 s ASN 72 CO 0.00 -1.02 1.79 2.30 -2.79 0.00 0.00 177.10 177.38 1g36 n ILE 73 N 6.32 0.26 0.82 -5.21 -5.35 -0.17 -3.21 119.36 112.81 1g36 n ILE 73 Ca 0.08 0.06 0.09 0.00 -0.27 0.00 0.00 62.75 62.71 1g36 n ILE 73 Cb 0.48 -0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 37.66 1g36 n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1g36 n ASN 74 N -1.31 1.24 -4.14 7.28 3.02 -1.26 -4.96 115.26 115.13 1g36 n ASN 74 Ca 0.11 -1.12 -0.22 0.00 -0.03 0.00 0.00 54.58 53.32 1g36 n ASN 74 Cb 0.20 0.77 -0.14 0.00 -0.61 0.00 0.00 39.78 39.99 1g36 n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g36 s VAL 75 N -2.40 1.16 -0.49 2.41 1.01 -1.20 -5.09 120.40 115.79 1g36 s VAL 75 Ca 0.10 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 1g36 s VAL 75 Cb 0.14 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1g36 s VAL 75 CO 0.60 0.17 0.79 -0.69 0.00 0.00 0.00 175.10 175.98 1g36 s VAL 76 N -0.60 4.62 -0.83 2.92 1.01 -1.26 -4.73 120.40 121.53 1g36 s VAL 76 Ca 0.04 0.18 0.16 0.00 0.00 0.00 0.00 61.98 62.36 1g36 s VAL 76 Cb -0.07 -4.38 -0.16 0.00 0.00 0.00 0.00 36.38 31.77 1g36 s VAL 76 CO 0.00 -0.85 0.70 -0.62 0.00 0.00 0.00 175.10 174.33 1g36 n GLU 77 N 6.82 1.67 0.00 2.72 1.02 -1.26 -5.10 120.64 126.51 1g36 n GLU 77 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1g36 n GLU 77 Cb 0.47 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1g36 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g36 n GLY 78 N 1.36 2.77 2.34 0.62 0.00 -1.26 -5.01 105.19 106.02 1g36 n GLY 78 Ca 0.03 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1g36 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g36 n ASN 79 N 0.00 0.00 -4.80 1.61 3.02 -1.26 -4.97 115.26 108.85 1g36 n ASN 79 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1g36 n ASN 79 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1g36 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1g36 s GLU 80 N -0.22 4.06 -0.08 3.52 8.01 -1.26 -4.32 118.70 128.41 1g36 s GLU 80 Ca 0.00 1.32 -0.02 0.00 0.01 0.00 0.00 54.97 56.28 1g36 s GLU 80 Cb 0.00 -2.26 0.03 0.00 -4.31 0.00 0.00 34.13 27.59 1g36 s GLU 80 CO 0.00 -0.20 0.02 -0.65 0.01 0.00 0.00 175.26 174.44 1g36 s GLN 81 N -2.98 0.42 -0.26 1.61 -0.21 -0.50 -4.98 119.66 112.75 1g36 s GLN 81 Ca 0.63 0.12 -0.08 0.00 0.02 0.00 0.00 55.36 56.04 1g36 s GLN 81 Cb -0.15 -0.99 -0.03 0.00 1.00 0.00 0.00 33.01 32.83 1g36 s GLN 81 CO 0.20 -0.36 0.11 -0.06 -2.12 0.00 0.00 175.29 173.06 1g36 s PHE 82 N 2.02 3.13 -0.05 0.91 0.08 -1.26 -0.87 117.98 121.94 1g36 s PHE 82 Ca 0.04 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.77 1g36 s PHE 82 Cb -0.13 -2.28 0.02 0.00 -0.57 0.00 0.00 43.02 40.06 1g36 s PHE 82 CO -0.05 -0.33 -0.06 0.42 -0.10 0.00 0.00 175.22 175.10 1g36 s ILE 83 N 1.64 0.64 0.55 0.64 1.01 -0.12 -4.98 121.20 120.58 1g36 s ILE 83 Ca 0.06 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.35 1g36 s ILE 83 Cb -0.16 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1g36 s ILE 83 CO 0.06 0.25 1.08 -0.44 0.00 0.00 0.00 174.94 175.89 1g36 s SER 84 N 0.93 5.86 0.02 3.58 0.01 -1.26 -0.29 113.70 122.55 1g36 s SER 84 Ca -0.11 2.00 -0.25 0.00 1.31 0.00 0.00 55.95 58.90 1g36 s SER 84 Cb -0.14 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 1g36 s SER 84 CO 0.00 -1.12 0.78 0.00 0.41 0.00 0.00 173.24 173.32 1g36 s ALA 85 N -2.05 3.34 -0.12 1.44 0.00 -0.80 -0.73 121.76 122.84 1g36 s ALA 85 Ca 0.68 0.29 0.17 0.00 0.00 0.00 0.00 51.96 53.10 1g36 s ALA 85 Cb -0.19 -3.03 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 1g36 s ALA 85 CO 0.29 0.00 0.88 0.66 0.00 0.00 0.00 175.76 177.58 1g36 h SER 86 N 5.99 0.00 -3.93 0.00 4.64 -0.99 -3.44 113.55 115.81 1g36 h SER 86 Ca -0.43 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1g36 h SER 86 Cb 1.21 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.07 1g36 h SER 86 CO 0.72 0.57 0.32 -1.59 -0.87 0.00 0.00 176.83 175.98 1g36 s LYS 87 N -2.93 0.73 -0.16 4.77 -2.85 -1.21 -5.02 119.74 113.08 1g36 s LYS 87 Ca -0.02 0.59 0.02 0.00 -1.00 0.00 0.00 55.97 55.55 1g36 s LYS 87 Cb 0.09 0.35 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1g36 s LYS 87 CO 0.81 -0.14 -0.21 -1.12 0.10 0.00 0.00 175.35 174.79 1g36 s SER 88 N -0.21 3.08 -0.43 0.03 0.01 -1.26 -0.75 113.70 114.18 1g36 s SER 88 Ca -0.01 -0.61 -0.08 0.00 1.31 0.00 0.00 55.95 56.56 1g36 s SER 88 Cb -0.03 -1.44 0.10 0.00 0.21 0.00 0.00 66.02 64.85 1g36 s SER 88 CO 0.00 0.04 0.27 -0.63 0.41 0.00 0.00 173.24 173.34 1g36 s ILE 89 N 1.03 4.00 0.21 1.44 1.01 0.12 -4.96 121.20 124.04 1g36 s ILE 89 Ca -0.02 -1.66 -0.30 0.00 0.00 0.00 0.00 60.65 58.67 1g36 s ILE 89 Cb -0.14 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 38.68 1g36 s ILE 89 CO -0.07 -0.62 0.95 -0.69 0.00 0.00 0.00 174.94 174.51 1g36 s VAL 90 N 1.34 4.18 0.10 2.92 1.01 -1.26 -1.10 120.40 127.59 1g36 s VAL 90 Ca 0.05 2.08 -0.34 0.00 0.00 0.00 0.00 61.98 63.77 1g36 s VAL 90 Cb -0.24 -4.33 -0.14 0.00 0.00 0.00 0.00 36.38 31.67 1g36 s VAL 90 CO -0.00 0.45 1.62 1.57 0.00 0.00 0.00 175.10 178.74 1g36 n HIS 91 N 1.82 2.22 0.14 5.22 -0.00 -0.91 -4.84 115.22 118.87 1g36 n HIS 91 Ca -0.01 0.25 0.19 0.00 0.46 0.00 0.00 57.72 58.61 1g36 n HIS 91 Cb 0.48 -2.55 0.78 0.00 -0.12 0.00 0.00 29.99 28.58 1g36 n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1g36 h PRO 92 N 6.44 0.00 -0.56 1.57 0.11 -1.93 -1.12 132.00 136.51 1g36 h PRO 92 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1g36 h PRO 92 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1g36 h PRO 92 CO 0.89 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.11 1g36 n SER 93 N -3.69 4.45 -4.73 -2.05 7.64 -1.26 -4.98 113.62 108.99 1g36 n SER 93 Ca 0.05 -2.48 -0.42 0.00 1.01 0.00 0.00 58.87 57.03 1g36 n SER 93 Cb 0.51 -0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1g36 n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1g36 s TYR 94 N -1.89 2.91 -0.26 1.43 5.04 -0.43 -4.71 117.35 119.44 1g36 s TYR 94 Ca 0.47 0.68 -0.01 0.00 -2.44 0.00 0.00 57.07 55.76 1g36 s TYR 94 Cb 0.31 -4.01 0.03 0.00 0.35 0.00 0.00 41.96 38.64 1g36 s TYR 94 CO 0.21 -3.58 -0.06 1.21 -1.34 0.00 0.00 175.55 171.99 1g36 s ASN 95 N 0.79 4.37 0.43 4.32 3.84 -0.64 -4.99 114.94 123.06 1g36 s ASN 95 Ca 0.67 -0.99 0.30 0.00 0.21 0.00 0.00 52.86 53.04 1g36 s ASN 95 Cb -0.46 -1.65 1.31 0.00 -0.55 0.00 0.00 41.25 39.89 1g36 s ASN 95 CO 0.39 -0.15 1.89 0.77 -2.79 0.00 0.00 177.10 177.21 1g36 h SER 96 N 7.98 0.00 0.51 -4.21 4.64 -1.93 0.44 113.55 120.97 1g36 h SER 96 Ca -0.30 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.73 1g36 h SER 96 Cb 1.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 1g36 h SER 96 CO 0.56 0.00 -1.58 0.78 -0.87 0.00 0.00 176.83 175.72 1g36 h ASN 97 N 0.00 0.19 0.00 4.97 -0.26 -1.97 -3.38 115.58 115.13 1g36 h ASN 97 Ca 0.00 -0.31 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 1g36 h ASN 97 Cb 0.35 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1g36 h ASN 97 CO 0.00 1.26 -1.54 0.35 -1.06 0.00 0.00 177.43 176.44 1g36 n THR 98 N -3.29 0.00 -1.28 2.81 -2.24 -1.13 -4.98 114.28 104.17 1g36 n THR 98 Ca -0.16 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 1g36 n THR 98 Cb 1.03 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 1g36 n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1g36 n LEU 99 N -1.92 -0.63 -4.76 3.22 4.77 0.15 -4.99 117.00 112.83 1g36 n LEU 99 Ca -0.01 0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.80 1g36 n LEU 99 Cb 0.41 -1.73 -0.04 0.00 -2.33 0.00 0.00 43.42 39.74 1g36 n LEU 99 CO 0.37 -0.57 0.82 0.21 -1.33 0.00 0.00 177.39 176.89 1g36 s ASN 100 N -2.77 7.16 -1.01 -1.43 2.47 -1.21 -3.13 114.94 115.02 1g36 s ASN 100 Ca 0.00 2.34 -0.04 0.00 0.42 0.00 0.00 52.86 55.58 1g36 s ASN 100 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1g36 s ASN 100 CO 0.00 -0.23 0.87 0.59 -3.72 0.00 0.00 177.10 174.61 1g36 n ASN 101 N 1.07 -4.12 -4.27 -4.21 5.03 -1.26 -1.62 115.26 105.88 1g36 n ASN 101 Ca -0.01 -0.45 -0.43 0.00 0.87 0.00 0.00 54.58 54.57 1g36 n ASN 101 Cb 0.44 -4.07 0.00 0.00 -1.02 0.00 0.00 39.78 35.13 1g36 n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1g36 n ASP 102 N -2.27 4.65 -3.79 6.41 2.03 -1.18 -4.31 116.55 118.08 1g36 n ASP 102 Ca -0.08 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.19 1g36 n ASP 102 Cb 0.58 -1.69 -0.11 0.00 -0.72 0.00 0.00 41.12 39.18 1g36 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1g36 s ILE 103 N 3.42 0.02 -0.04 5.18 2.07 -1.26 -3.90 121.20 126.69 1g36 s ILE 103 Ca 0.50 -0.14 -0.07 0.00 -1.41 0.00 0.00 60.65 59.53 1g36 s ILE 103 Cb 0.07 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.27 1g36 s ILE 103 CO 0.02 -0.08 0.17 -0.32 -1.91 0.00 0.00 174.94 172.82 1g36 s MET 104 N -0.21 0.32 -0.10 3.50 -2.45 0.06 -2.13 119.30 118.29 1g36 s MET 104 Ca -0.03 -0.00 -0.01 0.00 -1.25 0.00 0.00 55.69 54.40 1g36 s MET 104 Cb -0.03 0.14 -0.03 0.00 1.25 0.00 0.00 34.83 36.17 1g36 s MET 104 CO 0.01 -0.06 -0.07 -0.51 1.05 0.00 0.00 175.02 175.44 1g36 s LEU 105 N -0.48 3.11 -0.13 4.11 1.02 -0.26 -0.45 118.68 125.60 1g36 s LEU 105 Ca -0.06 -0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.01 1g36 s LEU 105 Cb -0.04 -1.70 0.01 0.00 0.02 0.00 0.00 46.19 44.48 1g36 s LEU 105 CO 0.01 0.27 -0.22 -0.63 0.02 0.00 0.00 176.35 175.80 1g36 s ILE 106 N -0.25 2.02 -0.15 -0.59 1.01 0.68 0.13 121.20 124.04 1g36 s ILE 106 Ca 0.03 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 1g36 s ILE 106 Cb -0.13 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 1g36 s ILE 106 CO 0.03 0.54 0.33 -0.75 0.00 0.00 0.00 174.94 175.09 1g36 s LYS 107 N 0.77 4.27 0.35 2.79 2.20 0.07 -0.91 119.74 129.29 1g36 s LYS 107 Ca -0.08 0.16 -0.24 0.00 -0.36 0.00 0.00 55.97 55.45 1g36 s LYS 107 Cb -0.16 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.63 1g36 s LYS 107 CO -0.01 0.22 0.93 -0.51 -0.36 0.00 0.00 175.35 175.62 1g36 s LEU 108 N 0.52 4.21 0.37 5.43 1.43 0.23 -0.43 118.68 130.44 1g36 s LEU 108 Ca 0.18 1.75 0.05 0.00 -1.03 0.00 0.00 54.13 55.08 1g36 s LEU 108 Cb -0.13 -4.16 0.72 0.00 0.03 0.00 0.00 46.19 42.65 1g36 s LEU 108 CO 0.05 -0.16 2.00 0.50 0.23 0.00 0.00 176.35 178.97 1g36 h LYS 109 N 2.76 0.74 -4.24 1.70 3.64 -1.22 -3.42 116.57 116.53 1g36 h LYS 109 Ca -0.48 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.73 1g36 h LYS 109 Cb 1.19 -0.17 -0.15 0.00 -0.41 0.00 0.00 32.23 32.69 1g36 h LYS 109 CO 0.64 0.49 -0.66 -1.12 -2.27 0.00 0.00 179.45 176.53 1g36 s SER 110 N -6.41 0.45 0.35 4.20 0.01 -1.26 -4.98 113.70 106.05 1g36 s SER 110 Ca -0.10 -1.01 -0.28 0.00 1.31 0.00 0.00 55.95 55.88 1g36 s SER 110 Cb 0.18 0.22 -0.09 0.00 0.21 0.00 0.00 66.02 66.54 1g36 s SER 110 CO 0.76 -0.62 1.20 0.00 0.41 0.00 0.00 173.24 174.99 1g36 s ALA 111 N -3.93 3.34 0.50 1.44 0.00 -1.26 -4.84 121.76 117.00 1g36 s ALA 111 Ca 0.09 1.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.91 1g36 s ALA 111 Cb 0.08 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 1g36 s ALA 111 CO -0.09 -0.48 1.02 0.00 0.00 0.00 0.00 175.76 176.21 1g36 s ALA 112 N -1.25 2.91 -0.51 0.00 0.00 0.87 -4.99 121.76 118.79 1g36 s ALA 112 Ca 0.51 0.47 -0.24 0.00 0.00 0.00 0.00 51.96 52.70 1g36 s ALA 112 Cb -0.34 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.60 1g36 s ALA 112 CO 0.44 -0.29 0.90 0.45 0.00 0.00 0.00 175.76 177.27 1g36 s SER 113 N -2.30 6.39 0.07 0.00 0.15 -1.26 -4.88 113.70 111.88 1g36 s SER 113 Ca 0.64 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.79 1g36 s SER 113 Cb -0.14 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 1g36 s SER 113 CO 0.23 -1.12 0.99 -0.76 1.20 0.00 0.00 173.24 173.77 1g36 s LEU 114 N 3.76 4.45 0.00 3.45 1.43 -1.26 -4.79 118.68 125.72 1g36 s LEU 114 Ca 0.32 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1g36 s LEU 114 Cb -0.12 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1g36 s LEU 114 CO 0.21 -0.17 0.00 -0.46 0.23 0.00 0.00 176.35 176.17 1g36 n ASN 115 N 3.22 0.00 -0.29 2.29 6.94 0.02 -4.98 115.26 122.45 1g36 n ASN 115 Ca 0.04 -0.49 0.04 0.00 -0.02 0.00 0.00 54.58 54.15 1g36 n ASN 115 Cb 0.49 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 38.16 1g36 n ASN 115 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1g36 h SER 116 N 0.00 0.89 0.13 0.53 0.87 -2.01 -2.94 113.55 111.03 1g36 h SER 116 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1g36 h SER 116 Cb 0.00 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1g36 h SER 116 CO 0.00 0.58 -0.63 0.54 -0.53 0.00 0.00 176.83 176.79 1g36 n ARG 117 N -4.48 0.50 -3.70 2.24 1.74 -1.26 -4.77 116.66 106.92 1g36 n ARG 117 Ca 0.13 -0.38 -0.28 0.00 -0.77 0.00 0.00 57.85 56.56 1g36 n ARG 117 Cb 0.19 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 29.98 1g36 n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1g36 s VAL 118 N -2.76 0.44 0.06 1.55 1.01 -1.11 -4.46 120.40 115.13 1g36 s VAL 118 Ca 0.14 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1g36 s VAL 118 Cb 0.17 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1g36 s VAL 118 CO 0.69 -0.33 0.11 0.00 0.00 0.00 0.00 175.10 175.57 1g36 s ALA 119 N 1.89 -0.00 0.35 5.51 0.00 -0.82 -0.80 121.76 127.88 1g36 s ALA 119 Ca 0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 1g36 s ALA 119 Cb -0.17 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1g36 s ALA 119 CO -0.13 -0.41 0.61 -1.54 0.00 0.00 0.00 175.76 174.29 1g36 s SER 120 N -2.61 6.38 0.03 0.00 1.04 -1.26 -2.71 113.70 114.56 1g36 s SER 120 Ca 0.02 0.71 0.02 0.00 0.48 0.00 0.00 55.95 57.19 1g36 s SER 120 Cb 0.04 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 1g36 s SER 120 CO -0.08 -0.31 0.01 -0.51 0.98 0.00 0.00 173.24 173.33 1g36 s ILE 121 N -2.28 4.20 0.37 -1.02 1.10 -0.15 -4.90 121.20 118.52 1g36 s ILE 121 Ca 0.44 -0.69 -0.24 0.00 -0.51 0.00 0.00 60.65 59.64 1g36 s ILE 121 Cb -0.10 -2.92 -0.10 0.00 0.15 0.00 0.00 42.46 39.49 1g36 s ILE 121 CO 0.34 0.29 0.99 -0.44 -2.11 0.00 0.00 174.94 174.01 1g36 s SER 122 N -1.83 7.03 0.38 4.50 0.01 -1.26 -4.60 113.70 117.92 1g36 s SER 122 Ca 0.22 1.90 -0.22 0.00 1.31 0.00 0.00 55.95 59.17 1g36 s SER 122 Cb -0.12 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.43 1g36 s SER 122 CO 0.14 -0.30 0.91 -0.76 0.41 0.00 0.00 173.24 173.64 1g36 s LEU 123 N -2.48 4.09 0.55 2.44 1.43 -1.26 -0.74 118.68 122.70 1g36 s LEU 123 Ca 0.55 1.67 -0.18 0.00 -1.03 0.00 0.00 54.13 55.14 1g36 s LEU 123 Cb -0.19 -4.29 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 1g36 s LEU 123 CO 0.24 -0.24 1.07 -2.16 0.23 0.00 0.00 176.35 175.49 1g36 s PRO 124 N -2.77 3.46 -0.02 1.29 0.04 -1.26 -4.80 135.00 130.94 1g36 s PRO 124 Ca 0.57 1.37 0.22 0.00 0.04 0.00 0.00 61.00 63.19 1g36 s PRO 124 Cb -0.12 -2.04 -0.29 0.00 0.04 0.00 0.00 34.50 32.08 1g36 s PRO 124 CO 0.17 -0.72 0.61 0.25 0.04 0.00 0.00 177.00 177.35 1g36 n THR 125 N -1.51 0.02 -3.77 1.26 -2.24 -1.26 -4.95 114.28 101.83 1g36 n THR 125 Ca 0.10 -0.37 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 1g36 n THR 125 Cb 0.52 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1g36 n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1g36 s SER 127 N -4.14 -0.10 0.57 3.42 1.04 -1.26 -5.16 113.70 108.06 1g36 s SER 127 Ca -0.04 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.71 1g36 s SER 127 Cb 0.14 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1g36 s SER 127 CO 0.89 -0.87 1.02 0.00 0.98 0.00 0.00 173.24 175.27 1g36 s ALA 129 N -2.62 3.48 0.45 0.00 0.00 -1.26 -5.08 121.76 116.72 1g36 s ALA 129 Ca 0.61 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 1g36 s ALA 129 Cb -0.13 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1g36 s ALA 129 CO 0.37 0.39 0.71 -1.54 0.00 0.00 0.00 175.76 175.69 1g36 s SER 130 N -1.77 6.15 0.51 0.00 1.04 -1.26 -5.01 113.70 113.36 1g36 s SER 130 Ca 0.42 0.68 -0.22 0.00 0.48 0.00 0.00 55.95 57.31 1g36 s SER 130 Cb -0.15 -2.04 -0.07 0.00 0.10 0.00 0.00 66.02 63.86 1g36 s SER 130 CO 0.20 -0.55 1.10 0.00 0.98 0.00 0.00 173.24 174.97 1g36 n ALA 132 N -2.12 0.63 0.00 5.32 0.00 -1.26 -2.01 120.51 121.07 1g36 n ALA 132 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1g36 n ALA 132 Cb 0.56 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1g36 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g36 n GLY 133 N 1.08 3.23 3.72 0.00 0.00 0.11 -4.94 105.19 108.39 1g36 n GLY 133 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1g36 n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1g36 n THR 134 N -1.69 0.17 -3.12 2.61 -1.04 -0.85 -4.58 114.28 105.78 1g36 n THR 134 Ca 0.00 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.58 1g36 n THR 134 Cb 0.00 -1.99 -0.06 0.00 -1.82 0.00 0.00 70.33 66.47 1g36 n THR 134 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1g36 s GLN 135 N 0.90 4.39 0.13 -2.82 2.00 -1.26 -0.64 119.66 122.36 1g36 s GLN 135 Ca 0.73 0.89 0.03 0.00 -2.00 0.00 0.00 55.36 55.00 1g36 s GLN 135 Cb -0.50 -3.33 -0.04 0.00 0.80 0.00 0.00 33.01 29.94 1g36 s GLN 135 CO 0.35 0.39 -0.06 0.00 -0.50 0.00 0.00 175.29 175.47 1g36 s LEU 137 N -3.11 3.34 -0.04 0.00 2.96 0.89 -1.30 118.68 121.41 1g36 s LEU 137 Ca 0.16 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1g36 s LEU 137 Cb 0.05 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1g36 s LEU 137 CO -0.01 0.12 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.31 1g36 s ILE 138 N 0.69 2.59 0.06 6.68 1.01 0.83 -1.29 121.20 131.77 1g36 s ILE 138 Ca -0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 1g36 s ILE 138 Cb -0.14 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 1g36 s ILE 138 CO 0.02 0.58 0.08 -0.94 0.00 0.00 0.00 174.94 174.69 1g36 s SER 139 N -0.62 0.27 0.00 3.58 1.04 -1.24 -0.30 113.70 116.43 1g36 s SER 139 Ca 0.09 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1g36 s SER 139 Cb -0.11 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1g36 s SER 139 CO 0.00 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1g36 n GLY 140 N 0.28 0.38 1.24 7.32 0.00 -0.71 -4.49 105.19 109.21 1g36 n GLY 140 Ca -0.16 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.75 1g36 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1g36 n TRP 141 N -0.71 1.37 -1.75 1.61 8.01 -1.26 -2.35 117.44 122.36 1g36 n TRP 141 Ca 0.00 -1.20 -0.30 0.00 -1.31 0.00 0.00 57.50 54.69 1g36 n TRP 141 Cb 0.00 -0.47 0.22 0.00 -2.01 0.00 0.00 31.31 29.05 1g36 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1g36 s GLY 142 N -1.93 1.77 0.21 6.99 0.00 -1.25 -4.40 107.32 108.72 1g36 s GLY 142 Ca 0.46 -1.27 -0.31 0.00 0.00 0.00 0.00 44.72 43.60 1g36 s GLY 142 CO 0.07 -0.41 1.17 -2.01 0.00 0.00 0.00 173.10 171.91 1g36 n ASN 143 N -4.08 1.57 -0.86 1.64 5.15 0.30 -2.62 115.26 116.37 1g36 n ASN 143 Ca 0.16 1.15 0.10 0.00 -0.60 0.00 0.00 54.58 55.39 1g36 n ASN 143 Cb 0.59 -1.27 0.13 0.00 -0.53 0.00 0.00 39.78 38.70 1g36 n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1g36 n THR 144 N 1.25 0.26 -5.25 -0.44 -2.24 0.15 -0.61 114.28 107.40 1g36 n THR 144 Ca 0.13 -0.63 -0.31 0.00 -2.27 0.00 0.00 64.05 60.97 1g36 n THR 144 Cb 0.28 1.17 -0.16 0.00 -2.10 0.00 0.00 70.33 69.51 1g36 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1g36 s LYS 145 N -1.45 2.31 0.06 -0.78 1.02 -1.26 -4.41 119.74 115.23 1g36 s LYS 145 Ca 0.27 -0.90 -0.18 0.00 0.02 0.00 0.00 55.97 55.19 1g36 s LYS 145 Cb 0.17 -2.12 -0.13 0.00 -0.52 0.00 0.00 37.83 35.24 1g36 s LYS 145 CO 0.25 0.50 1.35 0.77 -0.92 0.00 0.00 175.35 177.31 1g36 h SER 146 N 5.68 0.56 -3.71 2.83 0.02 -1.94 -3.40 113.55 113.59 1g36 h SER 146 Ca -0.39 -0.51 -0.68 0.00 -0.84 0.00 0.00 61.79 59.37 1g36 h SER 146 Cb 1.14 -0.16 -0.32 0.00 0.14 0.00 0.00 62.40 63.21 1g36 h SER 146 CO 0.47 0.96 -0.69 -0.44 -1.14 0.00 0.00 176.83 175.99 1g36 s SER 147 N -6.38 4.90 0.00 3.07 0.01 -1.26 -4.65 113.70 109.39 1g36 s SER 147 Ca -0.13 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 55.96 1g36 s SER 147 Cb 0.07 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1g36 s SER 147 CO 0.79 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.80 1g36 n GLY 148 N 4.67 -1.25 2.92 3.44 0.00 -1.26 -5.01 105.19 108.70 1g36 n GLY 148 Ca -0.14 -2.10 -0.18 0.00 0.00 0.00 0.00 46.02 43.60 1g36 n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g36 s THR 149 N 0.00 0.49 -0.29 2.61 2.01 -1.26 -4.65 115.64 114.54 1g36 s THR 149 Ca 0.00 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1g36 s THR 149 Cb 0.00 -0.48 0.18 0.00 0.01 0.00 0.00 72.50 72.22 1g36 s THR 149 CO 0.00 0.18 0.56 -0.55 -0.69 0.00 0.00 174.62 174.12 1g36 s SER 150 N 0.46 -1.16 -0.20 3.53 0.15 -1.26 -4.97 113.70 110.26 1g36 s SER 150 Ca -0.06 0.63 -0.10 0.00 0.70 0.00 0.00 55.95 57.12 1g36 s SER 150 Cb -0.09 1.97 -0.05 0.00 -1.71 0.00 0.00 66.02 66.14 1g36 s SER 150 CO -0.00 -0.28 0.14 -0.31 1.20 0.00 0.00 173.24 174.00 1g36 s TYR 151 N 2.80 3.41 0.63 3.44 2.02 -1.26 -0.67 117.35 127.72 1g36 s TYR 151 Ca 0.18 0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 57.11 1g36 s TYR 151 Cb -0.14 -2.18 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 1g36 s TYR 151 CO -0.22 0.27 1.04 -1.25 -1.57 0.00 0.00 175.55 173.82 1g36 s PRO 152 N 0.42 3.43 -0.07 -1.71 0.04 -1.26 -5.01 135.00 130.84 1g36 s PRO 152 Ca 0.09 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 1g36 s PRO 152 Cb -0.11 -2.08 -0.30 0.00 0.04 0.00 0.00 34.50 32.05 1g36 s PRO 152 CO -0.01 -0.66 0.61 -0.44 0.04 0.00 0.00 177.00 176.54 1g36 h ASP 153 N -0.37 0.56 -1.90 6.66 3.32 -1.94 -3.47 116.42 119.27 1g36 h ASP 153 Ca -0.44 -0.93 -0.47 0.00 0.02 0.00 0.00 57.03 55.21 1g36 h ASP 153 Cb 1.20 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1g36 h ASP 153 CO 0.62 1.77 -0.41 0.68 -1.72 0.00 0.00 179.24 180.19 1g36 s VAL 154 N -2.56 4.05 0.10 -1.35 -7.23 -1.26 -1.00 120.40 111.16 1g36 s VAL 154 Ca -0.17 -1.17 -0.31 0.00 -1.81 0.00 0.00 61.98 58.51 1g36 s VAL 154 Cb 0.05 -3.38 -0.07 0.00 0.56 0.00 0.00 36.38 33.54 1g36 s VAL 154 CO 0.83 -0.20 1.36 -0.22 -0.31 0.00 0.00 175.10 176.56 1g36 s LEU 155 N -4.05 4.37 0.08 1.32 2.96 -1.19 -4.84 118.68 117.34 1g36 s LEU 155 Ca 0.41 2.27 0.03 0.00 -0.22 0.00 0.00 54.13 56.62 1g36 s LEU 155 Cb -0.08 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1g36 s LEU 155 CO 0.29 -0.63 0.07 -0.54 -1.32 0.00 0.00 176.35 174.22 1g36 s LYS 156 N 1.18 2.84 0.14 1.98 -0.14 -0.99 -1.61 119.74 123.14 1g36 s LYS 156 Ca 0.64 -0.72 0.07 0.00 -1.36 0.00 0.00 55.97 54.60 1g36 s LYS 156 Cb -0.35 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.06 1g36 s LYS 156 CO 0.30 0.56 -0.16 0.00 -0.76 0.00 0.00 175.35 175.29 1g36 s LEU 158 N -2.55 -0.09 -0.22 0.00 2.96 0.59 -1.01 118.68 118.36 1g36 s LEU 158 Ca 0.12 0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 54.92 1g36 s LEU 158 Cb -0.05 1.58 -0.05 0.00 0.50 0.00 0.00 46.19 48.17 1g36 s LEU 158 CO 0.05 -0.19 0.13 -0.54 -1.32 0.00 0.00 176.35 174.48 1g36 s LYS 159 N 1.00 4.07 -0.03 1.98 1.02 -1.26 -0.12 119.74 126.41 1g36 s LYS 159 Ca -0.06 -0.28 -0.11 0.00 0.02 0.00 0.00 55.97 55.55 1g36 s LYS 159 Cb -0.06 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1g36 s LYS 159 CO -0.09 0.17 0.23 0.00 -0.92 0.00 0.00 175.35 174.74 1g36 s ALA 160 N 0.72 -0.58 0.26 5.17 0.00 -0.42 -4.96 121.76 121.96 1g36 s ALA 160 Ca 0.07 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 1g36 s ALA 160 Cb -0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 1g36 s ALA 160 CO 0.02 -0.21 0.53 -1.25 0.00 0.00 0.00 175.76 174.84 1g36 s PRO 161 N -1.02 3.65 0.03 0.00 0.04 -1.26 -0.63 135.00 135.82 1g36 s PRO 161 Ca -0.11 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.65 1g36 s PRO 161 Cb -0.05 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 1g36 s PRO 161 CO 0.02 0.27 1.16 0.42 0.04 0.00 0.00 177.00 178.91 1g36 s ILE 162 N -1.98 4.20 0.55 0.56 1.01 0.19 -1.78 121.20 123.95 1g36 s ILE 162 Ca 0.44 1.58 -0.06 0.00 0.00 0.00 0.00 60.65 62.60 1g36 s ILE 162 Cb -0.11 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1g36 s ILE 162 CO 0.28 0.11 0.87 -0.76 0.00 0.00 0.00 174.94 175.43 1g36 s LEU 163 N 1.21 3.38 0.59 2.97 1.43 0.01 0.06 118.68 128.34 1g36 s LEU 163 Ca 0.57 0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 54.36 1g36 s LEU 163 Cb -0.27 -3.75 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 1g36 s LEU 163 CO 0.28 -0.87 1.11 -0.94 0.23 0.00 0.00 176.35 176.16 1g36 s SER 164 N -4.22 5.51 0.25 2.29 1.04 -1.26 -4.64 113.70 112.66 1g36 s SER 164 Ca 0.52 2.04 -0.06 0.00 0.48 0.00 0.00 55.95 58.93 1g36 s SER 164 Cb -0.10 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.76 1g36 s SER 164 CO 0.46 -1.36 1.89 0.44 0.98 0.00 0.00 173.24 175.65 1g36 h ASP 165 N 0.63 0.99 -0.52 7.02 5.19 -1.96 0.03 116.42 127.80 1g36 h ASP 165 Ca -0.48 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 55.90 1g36 h ASP 165 Cb 1.25 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 1g36 h ASP 165 CO 0.56 0.68 0.25 0.77 -3.12 0.00 0.00 179.24 178.37 1g36 h SER 166 N 1.16 0.68 -0.17 6.45 4.64 -1.99 0.20 113.55 124.51 1g36 h SER 166 Ca 0.37 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 1g36 h SER 166 Cb 0.03 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1g36 h SER 166 CO -0.13 0.62 -0.30 0.28 -0.87 0.00 0.00 176.83 176.43 1g36 h SER 167 N 0.69 0.68 0.14 4.97 0.02 -1.83 -1.36 113.55 116.86 1g36 h SER 167 Ca 0.18 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1g36 h SER 167 Cb 0.12 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1g36 h SER 167 CO -0.02 0.94 -0.07 0.00 -1.14 0.00 0.00 176.83 176.54 1g36 h LYS 169 N -0.38 0.00 -0.08 0.00 1.57 -0.89 -1.77 116.57 115.01 1g36 h LYS 169 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1g36 h LYS 169 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1g36 h LYS 169 CO 0.03 0.17 -0.68 0.77 -0.57 0.00 0.00 179.45 179.16 1g36 h SER 170 N 0.00 0.42 0.15 0.86 0.02 -1.10 -2.27 113.55 111.63 1g36 h SER 170 Ca -0.00 -0.26 -0.17 0.00 -0.84 0.00 0.00 61.79 60.51 1g36 h SER 170 Cb 0.39 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1g36 h SER 170 CO 0.02 0.98 -0.65 0.00 -1.14 0.00 0.00 176.83 176.04 1g36 h ALA 171 N 1.02 0.64 -2.09 3.77 0.00 -0.71 -3.37 119.26 118.52 1g36 h ALA 171 Ca -0.02 -0.56 -0.57 0.00 0.00 0.00 0.00 54.91 53.75 1g36 h ALA 171 Cb 1.24 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.56 1g36 h ALA 171 CO 0.11 0.72 -0.88 0.66 0.00 0.00 0.00 179.25 179.87 1g36 n TYR 172 N -3.90 1.55 -1.66 0.00 4.01 -0.82 -4.94 117.16 111.41 1g36 n TYR 172 Ca -0.04 -3.84 -0.50 0.00 -0.16 0.00 0.00 57.90 53.36 1g36 n TYR 172 Cb 0.66 -0.45 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 1g36 n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1g36 n PRO 173 N 1.00 1.75 -0.89 -0.72 -0.02 -0.86 -1.87 135.00 133.39 1g36 n PRO 173 Ca 0.25 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1g36 n PRO 173 Cb 0.48 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1g36 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g36 n GLY 174 N 3.47 0.41 0.07 -1.23 0.00 -1.26 -4.82 105.19 101.83 1g36 n GLY 174 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1g36 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g36 n GLN 175 N -1.59 3.64 -3.43 1.61 6.02 -0.78 -4.96 117.38 117.89 1g36 n GLN 175 Ca 0.00 -0.20 -0.39 0.00 -0.01 0.00 0.00 57.00 56.40 1g36 n GLN 175 Cb 0.12 -0.92 -0.09 0.00 1.02 0.00 0.00 30.24 30.36 1g36 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g36 s ILE 176 N -1.52 5.20 0.53 5.09 -1.09 -1.24 -5.05 121.20 123.13 1g36 s ILE 176 Ca 0.04 0.50 0.08 0.00 -2.23 0.00 0.00 60.65 59.05 1g36 s ILE 176 Cb 0.06 -3.67 0.06 0.00 -1.58 0.00 0.00 42.46 37.33 1g36 s ILE 176 CO 0.27 0.18 0.72 0.42 -1.23 0.00 0.00 174.94 175.31 1g36 s THR 177 N 1.94 2.46 -0.94 2.92 -4.23 -1.26 -4.98 115.64 111.54 1g36 s THR 177 Ca 0.14 -0.97 0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1g36 s THR 177 Cb -0.16 -2.48 0.11 0.00 1.34 0.00 0.00 72.50 71.31 1g36 s THR 177 CO 0.10 0.00 1.39 -1.54 -0.54 0.00 0.00 174.62 174.03 1g36 n SER 178 N -2.13 0.07 -1.87 3.99 3.41 -1.26 -2.27 113.62 113.56 1g36 n SER 178 Ca 0.13 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.29 1g36 n SER 178 Cb 0.61 -0.53 0.37 0.00 -0.26 0.00 0.00 64.21 64.39 1g36 n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1g36 n ASN 179 N -1.58 5.34 -4.11 4.04 3.02 -1.26 -4.91 115.26 115.81 1g36 n ASN 179 Ca 0.03 -2.95 -0.09 0.00 -0.03 0.00 0.00 54.58 51.53 1g36 n ASN 179 Cb 0.13 -0.69 -0.10 0.00 -0.61 0.00 0.00 39.78 38.51 1g36 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1g36 s MET 180 N -2.73 0.66 0.02 3.52 -1.94 -0.96 -1.00 119.30 116.88 1g36 s MET 180 Ca 0.52 -1.16 -0.16 0.00 -1.71 0.00 0.00 55.69 53.18 1g36 s MET 180 Cb 0.40 -0.00 0.03 0.00 2.01 0.00 0.00 34.83 37.27 1g36 s MET 180 CO 0.15 -0.05 0.36 -0.59 -0.01 0.00 0.00 175.02 174.88 1g36 s PHE 181 N -3.31 -0.21 0.01 -0.03 -0.12 -0.58 -4.80 117.98 108.94 1g36 s PHE 181 Ca 0.05 0.19 -0.02 0.00 -0.05 0.00 0.00 56.93 57.11 1g36 s PHE 181 Cb 0.03 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 1g36 s PHE 181 CO -0.06 -0.50 0.17 0.00 -0.05 0.00 0.00 175.22 174.78 1g36 s ALA 183 N -1.35 -0.56 0.00 0.00 0.00 -0.86 -0.81 121.76 118.19 1g36 s ALA 183 Ca 0.28 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1g36 s ALA 183 Cb -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1g36 s ALA 183 CO 0.20 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1g36 n GLY 184 N 2.47 0.72 2.91 0.00 0.00 -0.74 -2.71 105.19 107.84 1g36 n GLY 184 Ca -0.16 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 43.94 1g36 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g36 s TYR 184 N -3.55 1.40 0.38 1.61 1.51 -1.26 -4.41 117.35 113.03 1g36 s TYR 184 Ca 0.00 -0.66 0.35 0.00 -1.01 0.00 0.00 57.07 55.75 1g36 s TYR 184 Cb 0.00 -1.17 1.73 0.00 -0.11 0.00 0.00 41.96 42.41 1g36 s TYR 184 CO 0.00 -0.46 2.13 -0.07 -1.11 0.00 0.00 175.55 176.04 1g36 h LEU 185 N 8.02 0.00 0.00 -1.29 3.38 -1.95 -0.80 115.31 122.68 1g36 h LEU 185 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1g36 h LEU 185 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1g36 h LEU 185 CO 0.41 0.04 0.00 -1.84 0.09 0.00 0.00 178.44 177.14 1g36 n GLU 186 N -3.26 0.03 -0.11 1.13 0.00 -1.26 0.00 120.64 117.16 1g36 n GLU 186 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 57.16 57.22 1g36 n GLU 186 Cb 0.21 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.15 1g36 n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1g36 n GLY 187 N 1.14 -1.36 1.12 -1.84 0.00 -0.31 -4.53 105.19 99.41 1g36 n GLY 187 Ca 0.07 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1g36 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g36 n GLY 188 N -1.34 3.31 2.69 -0.02 0.00 -0.23 -4.94 105.19 104.66 1g36 n GLY 188 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1g36 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g36 s LYS 188 N -0.65 -0.04 0.08 1.61 1.02 -1.26 -3.72 119.74 116.78 1g36 s LYS 188 Ca 0.00 0.34 -0.27 0.00 0.02 0.00 0.00 55.97 56.05 1g36 s LYS 188 Cb 0.00 -0.48 0.09 0.00 -0.52 0.00 0.00 37.83 36.92 1g36 s LYS 188 CO 0.00 -0.30 1.11 0.34 -0.92 0.00 0.00 175.35 175.58 1g36 s ASP 189 N 1.97 -0.12 0.71 2.83 2.15 -0.51 -4.24 116.67 119.45 1g36 s ASP 189 Ca 0.02 -0.29 -0.05 0.00 0.43 0.00 0.00 52.55 52.66 1g36 s ASP 189 Cb -0.12 0.35 0.09 0.00 -0.30 0.00 0.00 42.92 42.93 1g36 s ASP 189 CO -0.03 -0.64 1.00 -0.94 -0.17 0.00 0.00 175.17 174.39 1g36 s SER 190 N -2.97 4.57 0.32 -0.34 1.04 -1.26 -0.54 113.70 114.51 1g36 s SER 190 Ca 0.13 0.13 -0.08 0.00 0.48 0.00 0.00 55.95 56.61 1g36 s SER 190 Cb 0.01 -0.68 0.03 0.00 0.10 0.00 0.00 66.02 65.48 1g36 s SER 190 CO -0.00 -1.72 0.56 0.00 0.98 0.00 0.00 173.24 173.06 1g36 n GLN 192 N -0.46 1.71 0.00 0.00 10.64 -1.26 -1.12 117.38 126.88 1g36 n GLN 192 Ca -0.04 0.61 0.00 0.00 -1.83 0.00 0.00 57.00 55.73 1g36 n GLN 192 Cb 0.49 -2.22 0.00 0.00 -0.86 0.00 0.00 30.24 27.65 1g36 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1g36 n GLY 193 N 2.26 2.85 0.14 2.61 0.00 -1.26 -0.54 105.19 111.25 1g36 n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1g36 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1g36 h ASP 194 N 0.19 0.00 -1.24 1.61 3.32 -1.44 -3.32 116.42 115.54 1g36 h ASP 194 Ca 0.00 -0.04 -0.72 0.00 0.02 0.00 0.00 57.03 56.29 1g36 h ASP 194 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 1g36 h ASP 194 CO 0.00 0.02 -0.03 -1.20 -1.72 0.00 0.00 179.24 176.31 1g36 n SER 195 N -2.63 0.04 0.00 6.45 7.64 -1.25 -1.11 113.62 122.76 1g36 n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1g36 n SER 195 Cb 0.49 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1g36 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g36 n GLY 196 N 1.79 2.18 3.73 0.23 0.00 -0.24 -0.36 105.19 112.51 1g36 n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1g36 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g36 s GLY 197 N -1.94 1.59 0.38 -0.02 0.00 -0.27 -3.38 107.32 103.67 1g36 s GLY 197 Ca 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 44.72 44.17 1g36 s GLY 197 CO 0.00 0.24 0.96 2.56 0.00 0.00 0.00 173.10 176.86 1g36 s PRO 198 N -5.05 4.36 -0.30 2.90 0.04 -1.26 -0.91 135.00 134.78 1g36 s PRO 198 Ca 0.64 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1g36 s PRO 198 Cb -0.17 -2.50 0.09 0.00 0.04 0.00 0.00 34.50 31.96 1g36 s PRO 198 CO 0.56 0.08 0.06 0.08 0.04 0.00 0.00 177.00 177.82 1g36 s VAL 199 N -1.85 1.29 -0.20 -0.36 1.01 -0.56 -3.60 120.40 116.13 1g36 s VAL 199 Ca 0.56 -1.56 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1g36 s VAL 199 Cb -0.15 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1g36 s VAL 199 CO 0.20 -0.55 0.03 -0.69 0.00 0.00 0.00 175.10 174.09 1g36 s VAL 200 N 1.42 4.24 -0.09 2.92 1.01 -0.41 -0.76 120.40 128.74 1g36 s VAL 200 Ca 0.07 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1g36 s VAL 200 Cb -0.18 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1g36 s VAL 200 CO -0.17 0.42 -0.11 0.00 0.00 0.00 0.00 175.10 175.23 1g36 n SER 202 N 4.27 -3.32 -0.38 0.00 7.64 -1.26 -1.30 113.62 119.26 1g36 n SER 202 Ca -0.19 -0.85 -0.05 0.00 1.01 0.00 0.00 58.87 58.79 1g36 n SER 202 Cb 0.51 -3.63 -0.02 0.00 -1.01 0.00 0.00 64.21 60.06 1g36 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g36 n GLY 203 N -1.66 0.70 3.21 0.23 0.00 -1.26 -5.00 105.19 101.40 1g36 n GLY 203 Ca -0.06 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1g36 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g36 s LYS 204 N -1.90 1.44 -0.62 1.61 -0.14 -0.42 -4.10 119.74 115.61 1g36 s LYS 204 Ca 0.00 -0.78 -0.28 0.00 -1.36 0.00 0.00 55.97 53.55 1g36 s LYS 204 Cb 0.00 -1.45 0.02 0.00 -1.68 0.00 0.00 37.83 34.71 1g36 s LYS 204 CO 0.00 0.39 1.37 -1.17 -0.76 0.00 0.00 175.35 175.18 1g36 s LEU 209 N -0.77 3.33 -0.08 3.17 2.96 0.08 -1.12 118.68 126.26 1g36 s LEU 209 Ca 0.07 0.05 0.19 0.00 -0.22 0.00 0.00 54.13 54.23 1g36 s LEU 209 Cb -0.08 -2.90 -0.26 0.00 0.50 0.00 0.00 46.19 43.46 1g36 s LEU 209 CO 0.00 -1.76 0.38 0.00 -1.32 0.00 0.00 176.35 173.66 1g36 n GLN 210 N 8.86 0.66 -4.08 1.98 1.13 0.06 -4.12 117.38 121.88 1g36 n GLN 210 Ca 0.10 -0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.03 1g36 n GLN 210 Cb 0.49 -1.58 -0.09 0.00 0.11 0.00 0.00 30.24 29.17 1g36 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1g36 s GLY 211 N -4.98 0.79 -0.09 1.08 0.00 -0.81 -1.79 107.32 101.53 1g36 s GLY 211 Ca -0.08 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1g36 s GLY 211 CO 0.86 -1.18 -0.13 -0.42 0.00 0.00 0.00 173.10 172.22 1g36 s ILE 212 N -4.01 1.30 0.01 0.90 1.01 -1.09 -1.50 121.20 117.81 1g36 s ILE 212 Ca 0.21 -0.54 -0.33 0.00 0.00 0.00 0.00 60.65 59.98 1g36 s ILE 212 Cb 0.06 -1.20 -0.12 0.00 0.01 0.00 0.00 42.46 41.22 1g36 s ILE 212 CO 0.01 0.40 1.83 0.52 0.00 0.00 0.00 174.94 177.69 1g36 n VAL 213 N 4.05 0.46 0.00 2.92 0.31 -0.09 -1.64 118.33 124.34 1g36 n VAL 213 Ca -0.20 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1g36 n VAL 213 Cb 0.51 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1g36 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1g36 n SER 214 N 5.95 0.00 -2.52 4.52 2.88 -1.06 -1.08 113.62 122.32 1g36 n SER 214 Ca 0.21 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.65 1g36 n SER 214 Cb 0.32 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1g36 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1g36 n TRP 215 N -2.48 -1.76 0.00 0.66 4.27 -0.91 -4.92 117.44 112.30 1g36 n TRP 215 Ca 0.00 -1.67 0.00 0.00 -3.89 0.00 0.00 57.50 51.94 1g36 n TRP 215 Cb 0.00 0.63 0.00 0.00 -1.36 0.00 0.00 31.31 30.58 1g36 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1g36 n GLY 216 N -0.45 -0.42 3.24 -1.67 0.00 -1.26 -0.45 105.19 104.19 1g36 n GLY 216 Ca -0.04 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1g36 n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g36 s SER 217 N 0.00 5.69 0.38 1.61 0.15 -1.26 -4.96 113.70 115.30 1g36 s SER 217 Ca 0.00 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 54.95 1g36 s SER 217 Cb 0.00 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1g36 s SER 217 CO 0.00 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1g36 n GLY 219 N 4.92 -0.48 2.80 9.45 0.00 -1.26 -4.67 105.19 115.96 1g36 n GLY 219 Ca -0.09 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1g36 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g36 n ALA 221 N 3.86 -0.91 -2.23 0.00 0.00 -1.26 -4.61 120.51 115.35 1g36 n ALA 221 Ca -0.23 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1g36 n ALA 221 Cb 0.53 -2.91 -0.05 0.00 0.00 0.00 0.00 19.45 17.01 1g36 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g36 s GLN 221 N -5.57 3.90 0.23 0.00 -1.52 -1.26 -1.06 119.66 114.38 1g36 s GLN 221 Ca 0.23 0.51 -0.31 0.00 -1.95 0.00 0.00 55.36 53.84 1g36 s GLN 221 Cb -0.11 -2.49 -0.11 0.00 -0.22 0.00 0.00 33.01 30.07 1g36 s GLN 221 CO 0.28 0.18 1.65 0.21 -0.25 0.00 0.00 175.29 177.36 1g36 s LYS 222 N -3.08 4.15 -1.75 2.91 2.47 -1.26 -2.57 119.74 120.61 1g36 s LYS 222 Ca 0.52 2.54 0.00 0.00 -1.56 0.00 0.00 55.97 57.47 1g36 s LYS 222 Cb -0.10 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 33.19 1g36 s LYS 222 CO 0.21 -0.68 0.00 0.09 0.16 0.00 0.00 175.35 175.13 1g36 n ASN 223 N 3.38 -5.31 -3.32 1.43 3.02 0.10 -4.91 115.26 109.65 1g36 n ASN 223 Ca 0.13 0.41 -0.25 0.00 -0.03 0.00 0.00 54.58 54.83 1g36 n ASN 223 Cb 0.37 -4.26 -0.08 0.00 -0.61 0.00 0.00 39.78 35.19 1g36 n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1g36 n LYS 224 N -2.09 1.27 -1.17 3.52 4.76 -1.06 -4.78 118.16 118.61 1g36 n LYS 224 Ca -0.16 -3.72 -0.29 0.00 -2.87 0.00 0.00 58.31 51.27 1g36 n LYS 224 Cb 0.60 -1.62 0.18 0.00 -1.84 0.00 0.00 35.03 32.34 1g36 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1g36 s PRO 225 N -1.47 0.33 0.44 1.97 0.04 -1.26 -4.34 135.00 130.71 1g36 s PRO 225 Ca 0.36 0.47 -0.22 0.00 0.04 0.00 0.00 61.00 61.65 1g36 s PRO 225 Cb 0.14 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.87 1g36 s PRO 225 CO -0.09 -2.79 1.06 0.20 0.04 0.00 0.00 177.00 175.41 1g36 s GLY 226 N -3.47 2.65 -0.11 0.56 0.00 -1.10 -4.61 107.32 101.24 1g36 s GLY 226 Ca 0.66 0.69 -0.01 0.00 0.00 0.00 0.00 44.72 46.05 1g36 s GLY 226 CO 0.58 1.07 -0.08 0.14 0.00 0.00 0.00 173.10 174.81 1g36 s VAL 227 N -1.78 3.55 0.09 1.40 1.01 0.40 -2.02 120.40 123.05 1g36 s VAL 227 Ca 0.62 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1g36 s VAL 227 Cb -0.20 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1g36 s VAL 227 CO 0.25 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.42 1g36 s TYR 228 N -0.16 1.45 0.01 5.22 1.51 0.51 -2.15 117.35 123.74 1g36 s TYR 228 Ca 0.02 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 1g36 s TYR 228 Cb -0.13 -0.80 -0.05 0.00 -0.11 0.00 0.00 41.96 40.87 1g36 s TYR 228 CO 0.03 0.12 1.29 0.99 -1.11 0.00 0.00 175.55 176.87 1g36 s THR 229 N -1.28 3.90 -0.96 -0.71 2.01 -0.65 -1.52 115.64 116.43 1g36 s THR 229 Ca 0.02 1.30 -0.24 0.00 0.31 0.00 0.00 61.69 63.08 1g36 s THR 229 Cb -0.10 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.61 1g36 s THR 229 CO 0.03 0.03 1.51 -0.75 -0.69 0.00 0.00 174.62 174.75 1g36 s LYS 230 N 1.89 3.37 0.45 4.92 2.20 -0.17 -2.69 119.74 129.71 1g36 s LYS 230 Ca 0.60 -0.85 0.15 0.00 -0.36 0.00 0.00 55.97 55.51 1g36 s LYS 230 Cb -0.30 -5.15 1.06 0.00 -1.51 0.00 0.00 37.83 31.94 1g36 s LYS 230 CO 0.26 -2.38 1.99 0.28 -0.36 0.00 0.00 175.35 175.14 1g36 h VAL 231 N 6.77 0.90 -0.01 4.02 2.07 -1.66 -2.25 116.25 126.08 1g36 h VAL 231 Ca 0.11 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1g36 h VAL 231 Cb 1.02 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1g36 h VAL 231 CO 1.37 0.07 0.02 0.00 0.02 0.00 0.00 177.57 179.05 1g36 n ASN 233 N -3.54 0.00 -0.24 0.00 3.02 -0.85 -3.74 115.26 109.92 1g36 n ASN 233 Ca -0.03 0.41 0.02 0.00 -0.03 0.00 0.00 54.58 54.95 1g36 n ASN 233 Cb 0.10 -0.47 0.05 0.00 -0.61 0.00 0.00 39.78 38.85 1g36 n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1g36 n TYR 234 N -1.47 0.11 -0.18 3.10 4.01 0.09 -4.77 117.16 118.05 1g36 n TYR 234 Ca 0.08 -0.28 -0.01 0.00 -0.16 0.00 0.00 57.90 57.53 1g36 n TYR 234 Cb 0.30 -0.02 0.09 0.00 -0.31 0.00 0.00 39.34 39.40 1g36 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1g36 h VAL 235 N 0.90 0.80 -0.44 -0.72 2.07 -1.63 0.12 116.25 117.36 1g36 h VAL 235 Ca 0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1g36 h VAL 235 Cb 0.42 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1g36 h VAL 235 CO 0.00 0.07 0.17 0.28 0.02 0.00 0.00 177.57 178.11 1g36 h SER 236 N 0.39 0.60 -0.46 0.57 0.02 -1.88 -0.72 113.55 112.08 1g36 h SER 236 Ca 0.28 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1g36 h SER 236 Cb 0.32 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1g36 h SER 236 CO -0.28 0.60 0.24 -0.25 -1.14 0.00 0.00 176.83 176.00 1g36 h TRP 237 N 0.56 0.64 0.02 3.45 7.01 -1.71 0.29 115.95 126.21 1g36 h TRP 237 Ca 0.15 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 1g36 h TRP 237 Cb 0.19 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1g36 h TRP 237 CO 0.00 0.50 -0.01 0.82 -2.79 0.00 0.00 178.44 176.96 1g36 h ILE 238 N 0.60 0.99 -0.41 2.65 2.04 -0.54 -0.22 117.51 122.62 1g36 h ILE 238 Ca 0.16 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1g36 h ILE 238 Cb 0.08 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1g36 h ILE 238 CO -0.02 0.01 0.26 0.11 0.00 0.00 0.00 178.15 178.50 1g36 h LYS 239 N -0.04 0.55 -0.56 2.37 1.57 -0.96 -0.68 116.57 118.82 1g36 h LYS 239 Ca -0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1g36 h LYS 239 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1g36 h LYS 239 CO 0.01 0.40 0.07 1.96 -0.57 0.00 0.00 179.45 181.31 1g36 h GLN 240 N 0.55 0.91 -0.26 3.15 4.20 -0.78 -1.60 115.11 121.28 1g36 h GLN 240 Ca 0.15 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 1g36 h GLN 240 Cb -0.02 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1g36 h GLN 240 CO -0.03 0.86 -0.31 1.15 -0.67 0.00 0.00 178.83 179.83 1g36 h THR 241 N 0.86 1.31 -0.55 -0.54 2.02 -0.73 -2.82 112.91 112.46 1g36 h THR 241 Ca 0.17 -1.50 -0.07 0.00 0.77 0.00 0.00 66.41 65.79 1g36 h THR 241 Cb 0.41 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1g36 h THR 241 CO 0.01 0.47 0.06 0.40 0.37 0.00 0.00 175.52 176.83 1g36 h ILE 242 N 0.38 1.25 0.00 3.11 2.04 -1.03 -2.51 117.51 120.75 1g36 h ILE 242 Ca 0.03 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1g36 h ILE 242 Cb 0.89 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1g36 h ILE 242 CO 0.07 0.36 -0.07 0.00 0.00 0.00 0.00 178.15 178.51 1g36 h ALA 243 N 1.22 1.08 -0.47 1.87 0.00 -1.22 -2.97 119.26 118.77 1g36 h ALA 243 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1g36 h ALA 243 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1g36 h ALA 243 CO 0.01 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 1g36 n SER 244 N -3.29 3.28 0.00 0.00 3.41 -0.97 -5.10 113.62 110.95 1g36 n SER 244 Ca -0.01 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1g36 n SER 244 Cb 0.27 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1g36 n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47