#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bth s VAL 17 N 0.00 5.35 -0.53 1.39 1.01 0.61 -4.08 120.40 124.15 3bth s VAL 17 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3bth s VAL 17 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3bth s VAL 17 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3bth n GLY 18 N 2.72 0.75 0.00 4.51 0.00 -1.22 -1.41 105.19 110.55 3bth n GLY 18 Ca -0.16 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3bth n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bth n GLY 19 N -2.05 1.58 3.15 -0.02 0.00 -1.26 -4.86 105.19 101.74 3bth n GLY 19 Ca -0.05 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 3bth n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bth s TYR 20 N 1.92 0.59 -0.12 1.61 1.13 0.23 -4.92 117.35 117.79 3bth s TYR 20 Ca 0.00 -1.04 -0.29 0.00 -1.41 0.00 0.00 57.07 54.32 3bth s TYR 20 Cb 0.00 -0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 40.47 3bth s TYR 20 CO 0.00 -0.48 1.50 0.99 -2.51 0.00 0.00 175.55 175.05 3bth s THR 21 N -3.96 3.87 0.17 -3.49 2.01 -1.26 0.80 115.64 113.77 3bth s THR 21 Ca 0.14 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 63.03 3bth s THR 21 Cb 0.07 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.93 3bth s THR 21 CO -0.05 -0.13 1.82 0.00 -0.69 0.00 0.00 174.62 175.57 3bth n GLY 23 N -1.23 3.09 3.66 0.00 0.00 -1.26 -4.81 105.19 104.64 3bth n GLY 23 Ca 0.03 -1.53 -0.54 0.00 0.00 0.00 0.00 46.02 43.97 3bth n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bth n ALA 24 N 0.65 -0.35 -3.26 4.61 0.00 -1.26 -2.45 120.51 118.46 3bth n ALA 24 Ca 0.00 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 3bth n ALA 24 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 3bth n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bth n ASN 25 N 4.30 -4.18 -0.03 0.00 3.02 -1.26 -4.85 115.26 112.25 3bth n ASN 25 Ca 0.23 -0.35 0.12 0.00 -0.03 0.00 0.00 54.58 54.55 3bth n ASN 25 Cb 0.17 -3.44 0.19 0.00 -0.61 0.00 0.00 39.78 36.09 3bth n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3bth n THR 26 N -4.03 0.00 -3.53 3.41 -2.24 -1.02 -4.14 114.28 102.72 3bth n THR 26 Ca -0.04 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.46 3bth n THR 26 Cb 0.56 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 69.10 3bth n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3bth n VAL 27 N -1.39 0.88 0.28 2.28 0.31 -1.26 -4.97 118.33 114.44 3bth n VAL 27 Ca 0.06 -4.54 0.14 0.00 -0.01 0.00 0.00 64.34 59.99 3bth n VAL 27 Cb 0.34 -2.02 0.67 0.00 -0.91 0.00 0.00 33.84 31.92 3bth n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3bth h PRO 28 N 4.83 0.00 -0.01 5.55 0.13 -1.79 -2.30 132.00 138.41 3bth h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3bth h PRO 28 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3bth h PRO 28 CO 0.64 0.00 -0.34 2.48 -0.23 0.00 0.00 178.00 180.55 3bth n TYR 29 N -2.48 0.00 -2.53 1.56 0.18 -1.12 -1.92 117.16 110.85 3bth n TYR 29 Ca -0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 3bth n TYR 29 Cb 0.13 -0.10 -0.03 0.00 -0.38 0.00 0.00 39.34 38.96 3bth n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3bth s GLN 30 N -2.53 4.52 0.19 -3.48 2.00 -0.87 -1.02 119.66 118.47 3bth s GLN 30 Ca 0.22 1.66 0.07 0.00 -2.00 0.00 0.00 55.36 55.31 3bth s GLN 30 Cb 0.19 -3.35 -0.05 0.00 0.80 0.00 0.00 33.01 30.60 3bth s GLN 30 CO 0.55 -0.09 -0.14 0.14 -0.50 0.00 0.00 175.29 175.24 3bth s VAL 31 N 0.62 1.65 -0.11 1.34 -7.23 -0.52 -4.51 120.40 111.64 3bth s VAL 31 Ca 0.54 -2.14 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3bth s VAL 31 Cb -0.27 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 3bth s VAL 31 CO 0.31 -0.58 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.85 3bth s SER 32 N -3.20 4.21 -0.24 4.85 0.15 -0.59 -2.15 113.70 116.73 3bth s SER 32 Ca 0.20 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.46 3bth s SER 32 Cb -0.01 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 3bth s SER 32 CO 0.06 0.22 0.38 -0.76 1.20 0.00 0.00 173.24 174.34 3bth s LEU 33 N 0.05 4.09 -0.08 3.45 1.43 0.50 -0.59 118.68 127.53 3bth s LEU 33 Ca -0.04 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 3bth s LEU 33 Cb -0.14 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 3bth s LEU 33 CO 0.04 -0.14 -0.24 0.21 0.23 0.00 0.00 176.35 176.45 3bth s ASN 34 N 1.36 3.12 -0.32 2.29 3.84 0.66 -1.92 114.94 123.97 3bth s ASN 34 Ca 0.17 -0.53 0.15 0.00 0.21 0.00 0.00 52.86 52.86 3bth s ASN 34 Cb -0.15 -1.17 0.47 0.00 -0.55 0.00 0.00 41.25 39.85 3bth s ASN 34 CO 0.09 0.20 1.08 -0.24 -2.79 0.00 0.00 177.10 175.44 3bth n SER 37 N 3.26 2.84 0.00 -4.21 2.88 -1.26 -0.70 113.62 116.44 3bth n SER 37 Ca -0.18 -2.90 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 3bth n SER 37 Cb 0.53 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 3bth n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bth n GLY 38 N -0.45 0.96 3.54 0.46 0.00 -1.26 -5.00 105.19 103.44 3bth n GLY 38 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 3bth n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bth s TYR 39 N -2.17 -0.27 -0.03 1.61 1.13 -1.26 -5.13 117.35 111.23 3bth s TYR 39 Ca 0.00 0.19 -0.30 0.00 -1.41 0.00 0.00 57.07 55.55 3bth s TYR 39 Cb 0.00 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.33 3bth s TYR 39 CO 0.00 -0.40 1.54 -1.58 -2.51 0.00 0.00 175.55 172.59 3bth s HIS 40 N -2.72 2.41 0.00 -3.49 5.65 -1.26 -4.33 115.29 111.54 3bth s HIS 40 Ca 0.06 0.49 0.00 0.00 0.25 0.00 0.00 55.06 55.86 3bth s HIS 40 Cb -0.01 -3.80 0.00 0.00 -1.18 0.00 0.00 32.58 27.59 3bth s HIS 40 CO -0.07 -3.20 0.00 1.97 -0.65 0.00 0.00 174.74 172.79 3bth n PHE 41 N 6.30 0.00 -3.59 3.88 -1.74 -0.81 -5.00 117.46 116.51 3bth n PHE 41 Ca 0.15 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.95 3bth n PHE 41 Cb 0.43 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.41 3bth n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3bth n GLY 43 N -0.40 2.53 3.66 0.00 0.00 0.43 -0.37 105.19 111.05 3bth n GLY 43 Ca -0.11 -2.21 0.01 0.00 0.00 0.00 0.00 46.02 43.71 3bth n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bth s GLY 44 N -2.95 -0.37 -0.04 -0.02 0.00 -0.92 -3.91 107.32 99.12 3bth s GLY 44 Ca 0.20 0.57 0.05 0.00 0.00 0.00 0.00 44.72 45.54 3bth s GLY 44 CO 0.13 0.58 -0.19 -0.56 0.00 0.00 0.00 173.10 173.06 3bth s SER 45 N -3.05 2.35 -0.33 1.64 0.01 0.12 -1.44 113.70 113.00 3bth s SER 45 Ca 0.15 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.77 3bth s SER 45 Cb 0.04 -0.59 0.01 0.00 0.21 0.00 0.00 66.02 65.69 3bth s SER 45 CO -0.03 0.18 0.93 -0.22 0.41 0.00 0.00 173.24 174.52 3bth s LEU 46 N -0.08 4.01 0.00 2.44 2.96 -0.19 -0.34 118.68 127.47 3bth s LEU 46 Ca -0.02 0.77 0.10 0.00 -0.22 0.00 0.00 54.13 54.76 3bth s LEU 46 Cb -0.11 -3.30 0.14 0.00 0.50 0.00 0.00 46.19 43.42 3bth s LEU 46 CO 0.02 -0.79 0.95 2.30 -1.32 0.00 0.00 176.35 177.51 3bth n ILE 47 N 5.80 0.31 -3.52 6.68 -5.35 -0.75 -1.08 119.36 121.45 3bth n ILE 47 Ca 0.08 -0.65 -0.09 0.00 -0.27 0.00 0.00 62.75 61.81 3bth n ILE 47 Cb 0.48 0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 39.34 3bth n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3bth s ASN 48 N -0.89 -0.37 0.50 7.28 3.84 -1.13 -4.73 114.94 119.44 3bth s ASN 48 Ca 0.15 0.11 0.34 0.00 0.21 0.00 0.00 52.86 53.67 3bth s ASN 48 Cb 0.09 0.37 1.77 0.00 -0.55 0.00 0.00 41.25 42.93 3bth s ASN 48 CO 0.13 -0.55 2.03 0.77 -2.79 0.00 0.00 177.10 176.69 3bth h SER 49 N 2.16 0.00 0.00 -4.21 4.64 -1.95 -2.55 113.55 111.64 3bth h SER 49 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3bth h SER 49 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3bth h SER 49 CO 0.31 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.94 3bth n GLN 50 N -2.71 1.25 -4.25 4.77 7.27 -1.26 -0.07 117.38 122.38 3bth n GLN 50 Ca -0.02 -0.97 -0.17 0.00 0.07 0.00 0.00 57.00 55.91 3bth n GLN 50 Cb 0.09 -0.90 -0.14 0.00 2.41 0.00 0.00 30.24 31.70 3bth n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 3bth s TRP 51 N -0.51 0.71 -0.00 3.69 0.52 -0.96 -0.59 118.94 121.79 3bth s TRP 51 Ca 0.00 -0.19 0.05 0.00 0.02 0.00 0.00 56.10 55.98 3bth s TRP 51 Cb 0.00 -0.45 -0.01 0.00 -1.15 0.00 0.00 33.47 31.86 3bth s TRP 51 CO 0.00 -0.02 -0.17 0.08 0.02 0.00 0.00 176.95 176.87 3bth s VAL 52 N -0.39 1.32 -0.07 4.03 1.01 -0.16 -1.81 120.40 124.33 3bth s VAL 52 Ca 0.01 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3bth s VAL 52 Cb -0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3bth s VAL 52 CO -0.00 0.31 -0.08 0.54 0.00 0.00 0.00 175.10 175.87 3bth s VAL 53 N -0.48 3.57 0.00 2.92 0.11 0.53 -0.75 120.40 126.30 3bth s VAL 53 Ca 0.06 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 3bth s VAL 53 Cb -0.07 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 3bth s VAL 53 CO -0.00 0.59 0.00 -0.24 -3.33 0.00 0.00 175.10 172.12 3bth n SER 54 N 2.31 0.00 -4.89 3.54 2.88 -0.26 -0.70 113.62 116.51 3bth n SER 54 Ca -0.18 -0.71 -0.31 0.00 -1.33 0.00 0.00 58.87 56.34 3bth n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 3bth n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bth s ALA 55 N -1.58 3.65 0.35 -1.46 0.00 -1.26 -1.22 121.76 120.24 3bth s ALA 55 Ca 0.00 -0.43 0.09 0.00 0.00 0.00 0.00 51.96 51.63 3bth s ALA 55 Cb 0.00 -2.31 0.65 0.00 0.00 0.00 0.00 23.12 21.46 3bth s ALA 55 CO 0.00 0.50 1.81 0.00 0.00 0.00 0.00 175.76 178.07 3bth h ALA 56 N 2.42 1.33 0.00 0.00 0.00 -1.72 -2.22 119.26 119.07 3bth h ALA 56 Ca -0.47 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3bth h ALA 56 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3bth h ALA 56 CO 0.69 0.47 0.00 -2.39 0.00 0.00 0.00 179.25 178.02 3bth n HIS 57 N -4.14 0.00 1.06 0.00 1.44 -1.26 -1.75 115.22 110.57 3bth n HIS 57 Ca -0.01 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.80 3bth n HIS 57 Cb 0.38 -0.28 0.33 0.00 0.12 0.00 0.00 29.99 30.53 3bth n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3bth s TYR 59 N -1.72 2.93 -0.01 0.00 5.04 -0.72 -4.98 117.35 117.90 3bth s TYR 59 Ca 0.32 0.55 -0.27 0.00 -2.44 0.00 0.00 57.07 55.23 3bth s TYR 59 Cb 0.18 -4.04 0.06 0.00 0.35 0.00 0.00 41.96 38.50 3bth s TYR 59 CO 0.26 -3.82 0.61 0.21 -1.34 0.00 0.00 175.55 171.47 3bth s LYS 60 N 0.77 1.03 0.44 4.97 2.20 -1.26 -5.15 119.74 122.75 3bth s LYS 60 Ca 0.70 0.06 -0.07 0.00 -0.36 0.00 0.00 55.97 56.31 3bth s LYS 60 Cb -0.47 0.48 -0.05 0.00 -1.51 0.00 0.00 37.83 36.28 3bth s LYS 60 CO 0.35 -0.34 0.76 -1.54 -0.36 0.00 0.00 175.35 174.22 3bth s SER 61 N -1.47 6.36 -0.89 1.43 1.04 -1.26 -4.35 113.70 114.55 3bth s SER 61 Ca -0.09 0.96 -0.04 0.00 0.48 0.00 0.00 55.95 57.26 3bth s SER 61 Cb -0.01 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.86 3bth s SER 61 CO 0.05 -0.49 0.51 0.61 0.98 0.00 0.00 173.24 174.91 3bth n GLY 62 N -1.85 -0.01 3.73 7.32 0.00 -1.26 -4.99 105.19 108.14 3bth n GLY 62 Ca 0.01 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3bth n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bth s ILE 63 N -3.03 4.35 -0.15 -0.61 1.01 -1.26 -4.65 121.20 116.86 3bth s ILE 63 Ca 0.25 1.91 0.00 0.00 0.00 0.00 0.00 60.65 62.81 3bth s ILE 63 Cb -0.11 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.14 3bth s ILE 63 CO 0.31 0.27 -0.15 -1.58 0.00 0.00 0.00 174.94 173.79 3bth s GLN 64 N 0.13 3.23 -0.14 2.79 0.74 0.13 -2.32 119.66 124.22 3bth s GLN 64 Ca 0.49 -0.75 -0.17 0.00 0.05 0.00 0.00 55.36 54.99 3bth s GLN 64 Cb -0.25 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 3bth s GLN 64 CO 0.31 0.04 0.41 0.08 -0.55 0.00 0.00 175.29 175.57 3bth s VAL 65 N 0.76 5.23 -0.26 1.34 1.01 0.70 -0.25 120.40 128.94 3bth s VAL 65 Ca -0.06 0.80 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 3bth s VAL 65 Cb -0.15 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3bth s VAL 65 CO 0.01 0.35 -0.04 -0.13 0.00 0.00 0.00 175.10 175.29 3bth s ARG 66 N 0.58 2.90 0.21 2.72 0.52 0.24 -0.74 118.95 125.39 3bth s ARG 66 Ca 0.22 -0.95 0.06 0.00 -0.52 0.00 0.00 55.73 54.55 3bth s ARG 66 Cb -0.14 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 3bth s ARG 66 CO 0.08 -0.40 0.15 -0.51 0.02 0.00 0.00 175.30 174.64 3bth s LEU 67 N 1.36 3.76 -1.03 2.53 1.02 0.04 -1.55 118.68 124.81 3bth s LEU 67 Ca 0.01 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 53.93 3bth s LEU 67 Cb -0.17 -2.33 0.00 0.00 0.02 0.00 0.00 46.19 43.72 3bth s LEU 67 CO -0.03 0.01 0.00 0.61 0.02 0.00 0.00 176.35 176.96 3bth n GLY 69 N -0.78 1.11 3.80 -3.19 0.00 -1.26 -1.64 105.19 103.22 3bth n GLY 69 Ca -0.08 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 3bth n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bth s GLU 70 N -2.70 4.45 0.00 1.61 0.41 -1.26 -4.00 118.70 117.20 3bth s GLU 70 Ca 0.00 1.16 0.00 0.00 -0.41 0.00 0.00 54.97 55.72 3bth s GLU 70 Cb 0.00 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 3bth s GLU 70 CO 0.00 0.29 0.00 -3.47 -0.49 0.00 0.00 175.26 171.59 3bth n ASP 71 N 0.50 0.00 -4.54 -0.19 2.03 -1.26 -4.65 116.55 108.44 3bth n ASP 71 Ca 0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.89 3bth n ASP 71 Cb 0.51 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 3bth n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3bth s ASN 72 N -3.15 6.41 0.00 1.67 3.84 -1.25 -2.89 114.94 119.58 3bth s ASN 72 Ca 0.00 -0.12 0.18 0.00 0.21 0.00 0.00 52.86 53.13 3bth s ASN 72 Cb 0.00 -2.40 0.87 0.00 -0.55 0.00 0.00 41.25 39.17 3bth s ASN 72 CO 0.00 -0.99 1.55 2.30 -2.79 0.00 0.00 177.10 177.17 3bth n ILE 73 N 6.20 0.54 1.00 -5.21 -5.35 0.09 -3.14 119.36 113.49 3bth n ILE 73 Ca 0.03 0.14 0.10 0.00 -0.27 0.00 0.00 62.75 62.75 3bth n ILE 73 Cb 0.48 -0.84 -0.10 0.00 -1.74 0.00 0.00 39.64 37.45 3bth n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3bth n ASN 74 N -1.34 0.98 -4.00 7.28 3.02 -1.26 -4.95 115.26 115.00 3bth n ASN 74 Ca 0.07 -0.96 -0.15 0.00 -0.03 0.00 0.00 54.58 53.51 3bth n ASN 74 Cb 0.16 0.95 -0.14 0.00 -0.61 0.00 0.00 39.78 40.15 3bth n ASN 74 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3bth s VAL 75 N -2.99 0.48 -0.15 2.41 -7.23 -1.19 -5.10 120.40 106.62 3bth s VAL 75 Ca 0.08 -0.49 -0.29 0.00 -1.81 0.00 0.00 61.98 59.47 3bth s VAL 75 Cb 0.16 -0.45 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 3bth s VAL 75 CO 0.86 -0.02 1.17 -0.69 -0.31 0.00 0.00 175.10 176.11 3bth s VAL 76 N -0.49 4.42 -1.36 1.32 1.01 -1.26 -4.75 120.40 119.28 3bth s VAL 76 Ca -0.01 1.72 0.11 0.00 0.00 0.00 0.00 61.98 63.79 3bth s VAL 76 Cb -0.04 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 32.32 3bth s VAL 76 CO -0.00 -0.11 0.86 -0.62 0.00 0.00 0.00 175.10 175.23 3bth n GLU 77 N 6.12 0.57 0.00 2.72 1.02 -1.26 -5.02 120.64 124.79 3bth n GLU 77 Ca 0.12 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 3bth n GLU 77 Cb 0.46 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 3bth n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bth n GLY 78 N 0.61 3.05 0.42 0.62 0.00 -1.26 -4.90 105.19 103.73 3bth n GLY 78 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 3bth n GLY 78 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bth n ASN 79 N 0.00 1.32 -4.82 1.61 6.94 -1.26 -4.96 115.26 114.09 3bth n ASN 79 Ca 0.00 -1.42 -0.31 0.00 -0.02 0.00 0.00 54.58 52.83 3bth n ASN 79 Cb 0.00 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 3bth n ASN 79 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3bth s GLU 80 N -2.02 3.08 -0.14 -3.83 8.01 -1.26 -4.46 118.70 118.08 3bth s GLU 80 Ca 0.38 1.01 -0.04 0.00 0.01 0.00 0.00 54.97 56.34 3bth s GLU 80 Cb 0.21 -2.01 0.07 0.00 -4.31 0.00 0.00 34.13 28.09 3bth s GLU 80 CO 0.35 -0.99 0.18 -0.65 0.01 0.00 0.00 175.26 174.16 3bth s GLN 81 N -4.77 0.10 -0.26 1.61 -0.21 -0.65 -4.98 119.66 110.50 3bth s GLN 81 Ca 0.59 0.39 -0.09 0.00 0.02 0.00 0.00 55.36 56.27 3bth s GLN 81 Cb -0.14 -0.74 -0.04 0.00 1.00 0.00 0.00 33.01 33.09 3bth s GLN 81 CO 0.50 -0.46 0.12 -0.06 -2.12 0.00 0.00 175.29 173.26 3bth s PHE 82 N 2.30 3.14 -0.05 0.91 0.08 -1.26 -0.78 117.98 122.32 3bth s PHE 82 Ca 0.04 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.91 3bth s PHE 82 Cb -0.14 -2.29 0.02 0.00 -0.57 0.00 0.00 43.02 40.05 3bth s PHE 82 CO -0.08 -0.26 -0.05 0.42 -0.10 0.00 0.00 175.22 175.15 3bth s ILE 83 N 1.62 0.58 0.60 0.64 1.01 0.09 -4.97 121.20 120.76 3bth s ILE 83 Ca 0.06 -0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.40 3bth s ILE 83 Cb -0.15 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 3bth s ILE 83 CO 0.06 0.23 1.07 -0.44 0.00 0.00 0.00 174.94 175.87 3bth s SER 84 N 0.88 5.67 0.18 3.58 0.01 -1.26 -0.21 113.70 122.55 3bth s SER 84 Ca -0.12 1.88 -0.24 0.00 1.31 0.00 0.00 55.95 58.79 3bth s SER 84 Cb -0.14 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.46 3bth s SER 84 CO 0.00 -1.24 0.76 0.00 0.41 0.00 0.00 173.24 173.17 3bth s ALA 85 N -2.37 3.44 -0.18 1.44 0.00 -0.98 -0.07 121.76 123.05 3bth s ALA 85 Ca 0.65 0.30 0.17 0.00 0.00 0.00 0.00 51.96 53.08 3bth s ALA 85 Cb -0.17 -2.91 -0.24 0.00 0.00 0.00 0.00 23.12 19.80 3bth s ALA 85 CO 0.36 0.30 0.08 -1.13 0.00 0.00 0.00 175.76 175.38 3bth n SER 86 N 1.37 0.36 -3.81 0.00 3.41 0.37 -4.66 113.62 110.65 3bth n SER 86 Ca -0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.44 3bth n SER 86 Cb 0.49 1.00 -0.10 0.00 -0.26 0.00 0.00 64.21 65.35 3bth n SER 86 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3bth s LYS 87 N -2.49 0.51 -0.16 4.33 1.02 -1.20 -5.00 119.74 116.75 3bth s LYS 87 Ca -0.09 -0.16 -0.02 0.00 0.02 0.00 0.00 55.97 55.72 3bth s LYS 87 Cb 0.06 0.22 0.05 0.00 -0.52 0.00 0.00 37.83 37.64 3bth s LYS 87 CO 0.77 -0.12 -0.00 -1.12 -0.92 0.00 0.00 175.35 173.96 3bth s SER 88 N -1.04 2.58 -0.35 2.83 0.01 -1.26 -0.51 113.70 115.96 3bth s SER 88 Ca -0.11 -0.60 -0.05 0.00 1.31 0.00 0.00 55.95 56.50 3bth s SER 88 Cb -0.05 -0.66 0.05 0.00 0.21 0.00 0.00 66.02 65.57 3bth s SER 88 CO 0.02 -0.24 0.11 -0.63 0.41 0.00 0.00 173.24 172.91 3bth s ILE 89 N 1.81 3.62 0.22 1.44 1.01 0.25 -4.96 121.20 124.59 3bth s ILE 89 Ca 0.01 -1.31 -0.22 0.00 0.00 0.00 0.00 60.65 59.13 3bth s ILE 89 Cb -0.15 -3.12 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 3bth s ILE 89 CO -0.07 -0.25 0.76 -0.69 0.00 0.00 0.00 174.94 174.68 3bth s VAL 90 N 1.35 4.48 0.13 2.92 1.01 -1.26 -0.31 120.40 128.71 3bth s VAL 90 Ca -0.01 1.45 -0.34 0.00 0.00 0.00 0.00 61.98 63.08 3bth s VAL 90 Cb -0.20 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.09 3bth s VAL 90 CO 0.01 0.29 1.57 1.57 0.00 0.00 0.00 175.10 178.54 3bth n HIS 91 N 0.95 2.18 0.27 5.22 -0.00 -0.62 -4.82 115.22 118.39 3bth n HIS 91 Ca -0.03 0.30 0.18 0.00 0.46 0.00 0.00 57.72 58.63 3bth n HIS 91 Cb 0.50 -2.52 0.88 0.00 -0.12 0.00 0.00 29.99 28.73 3bth n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3bth h PRO 92 N 6.01 0.00 -0.44 1.57 0.13 -1.93 0.31 132.00 137.65 3bth h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3bth h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3bth h PRO 92 CO 0.88 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.08 3bth n SER 93 N -3.28 4.08 -4.74 1.44 7.64 -1.26 -4.98 113.62 112.51 3bth n SER 93 Ca 0.00 -2.54 -0.42 0.00 1.01 0.00 0.00 58.87 56.92 3bth n SER 93 Cb 0.35 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 3bth n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3bth s TYR 94 N -1.99 2.90 -0.24 1.43 5.04 0.10 -4.64 117.35 119.94 3bth s TYR 94 Ca 0.41 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 3bth s TYR 94 Cb 0.28 -4.00 0.04 0.00 0.35 0.00 0.00 41.96 38.63 3bth s TYR 94 CO 0.17 -3.46 -0.10 1.21 -1.34 0.00 0.00 175.55 172.02 3bth s ASN 95 N 0.69 4.14 0.53 4.32 3.84 -0.63 -4.99 114.94 122.85 3bth s ASN 95 Ca 0.65 -0.99 0.34 0.00 0.21 0.00 0.00 52.86 53.07 3bth s ASN 95 Cb -0.46 -1.60 1.41 0.00 -0.55 0.00 0.00 41.25 40.05 3bth s ASN 95 CO 0.41 -0.13 1.99 0.77 -2.79 0.00 0.00 177.10 177.35 3bth h SER 96 N 7.93 0.00 0.07 -4.21 4.64 -1.93 0.31 113.55 120.36 3bth h SER 96 Ca -0.31 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.81 3bth h SER 96 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3bth h SER 96 CO 0.55 0.00 -1.01 0.78 -0.87 0.00 0.00 176.83 176.28 3bth h ASN 97 N 0.00 0.24 0.60 4.97 4.21 -1.97 -3.38 115.58 120.25 3bth h ASN 97 Ca 0.00 -0.83 0.00 0.00 1.21 0.00 0.00 56.30 56.68 3bth h ASN 97 Cb 0.46 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 3bth h ASN 97 CO 0.00 1.44 -0.89 0.35 -1.29 0.00 0.00 177.43 177.03 3bth n THR 98 N -4.19 0.25 -1.14 2.81 -2.24 -1.20 -4.95 114.28 103.62 3bth n THR 98 Ca -0.22 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.25 3bth n THR 98 Cb 0.76 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 3bth n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3bth n LEU 99 N -2.04 -0.13 -4.75 3.22 4.77 0.11 -4.99 117.00 113.18 3bth n LEU 99 Ca 0.02 0.12 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 3bth n LEU 99 Cb 0.44 -1.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.04 3bth n LEU 99 CO 0.39 -0.46 0.75 0.21 -1.33 0.00 0.00 177.39 176.96 3bth s ASN 100 N -2.47 7.37 -0.82 -1.43 3.04 -1.21 -3.46 114.94 115.96 3bth s ASN 100 Ca 0.00 2.17 -0.05 0.00 0.04 0.00 0.00 52.86 55.02 3bth s ASN 100 Cb 0.00 -2.62 0.01 0.00 -1.54 0.00 0.00 41.25 37.09 3bth s ASN 100 CO 0.00 -0.07 0.67 0.59 -3.04 0.00 0.00 177.10 175.26 3bth n ASN 101 N 1.36 -4.59 -4.18 -4.21 3.02 -1.26 -1.60 115.26 103.80 3bth n ASN 101 Ca -0.01 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.82 3bth n ASN 101 Cb 0.45 -3.20 -0.01 0.00 -0.61 0.00 0.00 39.78 36.42 3bth n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3bth n ASP 102 N -1.15 4.23 -3.83 6.41 2.03 -1.23 -4.26 116.55 118.76 3bth n ASP 102 Ca -0.00 -2.86 -0.12 0.00 0.52 0.00 0.00 54.79 52.33 3bth n ASP 102 Cb 0.54 -1.67 -0.11 0.00 -0.72 0.00 0.00 41.12 39.15 3bth n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3bth s ILE 103 N 4.36 0.03 -0.04 5.18 2.07 -1.26 -3.91 121.20 127.63 3bth s ILE 103 Ca 0.52 -0.23 -0.11 0.00 -1.41 0.00 0.00 60.65 59.42 3bth s ILE 103 Cb 0.08 -0.33 0.02 0.00 0.13 0.00 0.00 42.46 42.36 3bth s ILE 103 CO 0.02 -0.13 0.26 -0.32 -1.91 0.00 0.00 174.94 172.86 3bth s MET 104 N -0.41 0.51 -0.08 3.50 -2.45 -0.35 -1.58 119.30 118.43 3bth s MET 104 Ca -0.05 -0.05 0.03 0.00 -1.25 0.00 0.00 55.69 54.37 3bth s MET 104 Cb -0.03 0.23 -0.02 0.00 1.25 0.00 0.00 34.83 36.25 3bth s MET 104 CO 0.01 -0.12 -0.15 -0.51 1.05 0.00 0.00 175.02 175.30 3bth s LEU 105 N -0.85 2.68 -0.15 4.11 1.43 0.58 -1.10 118.68 125.37 3bth s LEU 105 Ca -0.09 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3bth s LEU 105 Cb -0.05 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.63 3bth s LEU 105 CO 0.02 0.28 -0.19 -0.63 0.23 0.00 0.00 176.35 176.06 3bth s ILE 106 N -0.33 1.88 -0.07 -0.59 1.01 0.07 0.84 121.20 124.01 3bth s ILE 106 Ca 0.03 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.65 3bth s ILE 106 Cb -0.13 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3bth s ILE 106 CO 0.02 0.51 0.48 -0.75 0.00 0.00 0.00 174.94 175.20 3bth s LYS 107 N 1.13 4.24 0.28 2.79 2.20 0.33 -0.99 119.74 129.72 3bth s LYS 107 Ca -0.01 0.48 -0.26 0.00 -0.36 0.00 0.00 55.97 55.83 3bth s LYS 107 Cb -0.14 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 3bth s LYS 107 CO -0.07 0.32 0.90 -0.51 -0.36 0.00 0.00 175.35 175.63 3bth s LEU 108 N 0.07 4.42 0.47 5.43 1.43 0.24 -0.48 118.68 130.27 3bth s LEU 108 Ca 0.26 1.79 0.12 0.00 -1.03 0.00 0.00 54.13 55.27 3bth s LEU 108 Cb -0.16 -3.82 1.07 0.00 0.03 0.00 0.00 46.19 43.31 3bth s LEU 108 CO 0.12 0.01 2.09 0.50 0.23 0.00 0.00 176.35 179.31 3bth h LYS 109 N 3.50 0.27 -4.13 1.70 3.64 -0.75 -3.42 116.57 117.38 3bth h LYS 109 Ca -0.47 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.79 3bth h LYS 109 Cb 1.19 -0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 32.80 3bth h LYS 109 CO 0.66 0.18 -0.61 -1.54 -2.27 0.00 0.00 179.45 175.87 3bth s SER 110 N -6.81 0.40 0.30 4.20 1.04 -1.26 -4.97 113.70 106.59 3bth s SER 110 Ca -0.07 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 55.17 3bth s SER 110 Cb 0.17 0.23 -0.10 0.00 0.10 0.00 0.00 66.02 66.43 3bth s SER 110 CO 0.70 -0.62 1.16 0.00 0.98 0.00 0.00 173.24 175.46 3bth s ALA 111 N -3.84 3.43 0.42 5.32 0.00 -1.26 -4.84 121.76 120.99 3bth s ALA 111 Ca 0.06 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.80 3bth s ALA 111 Cb 0.07 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3bth s ALA 111 CO -0.10 -0.31 1.02 0.00 0.00 0.00 0.00 175.76 176.37 3bth s ALA 112 N -1.16 3.03 -0.49 0.00 0.00 0.91 -4.99 121.76 119.05 3bth s ALA 112 Ca 0.46 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.76 3bth s ALA 112 Cb -0.34 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3bth s ALA 112 CO 0.45 -0.13 0.93 0.45 0.00 0.00 0.00 175.76 177.46 3bth s SER 113 N -1.82 6.44 -0.10 0.00 0.15 -1.26 -4.88 113.70 112.24 3bth s SER 113 Ca 0.61 -0.05 -0.30 0.00 0.70 0.00 0.00 55.95 56.91 3bth s SER 113 Cb -0.17 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 3bth s SER 113 CO 0.22 -1.12 1.08 -0.76 1.20 0.00 0.00 173.24 173.86 3bth s LEU 114 N 3.84 4.25 0.00 3.45 1.43 -1.26 -4.80 118.68 125.59 3bth s LEU 114 Ca 0.35 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 3bth s LEU 114 Cb -0.11 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.56 3bth s LEU 114 CO 0.24 -0.51 0.00 -2.11 0.23 0.00 0.00 176.35 174.19 3bth n ARG 117 N 5.18 0.00 -3.76 1.70 0.00 -1.26 -5.03 116.66 113.49 3bth n ARG 117 Ca 0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.68 3bth n ARG 117 Cb 0.48 0.00 -0.17 0.00 -0.00 0.00 0.00 32.46 32.77 3bth n ARG 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3bth s VAL 118 N 0.00 0.56 0.04 8.89 1.01 -1.26 -4.39 120.40 125.24 3bth s VAL 118 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 3bth s VAL 118 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3bth s VAL 118 CO 0.00 -0.08 0.19 0.00 0.00 0.00 0.00 175.10 175.21 3bth s ALA 119 N 1.85 -0.35 0.53 5.51 0.00 -0.81 -4.99 121.76 123.51 3bth s ALA 119 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 3bth s ALA 119 Cb -0.16 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 3bth s ALA 119 CO -0.07 -0.35 0.84 -1.54 0.00 0.00 0.00 175.76 174.64 3bth s SER 120 N -2.04 5.95 0.01 0.00 1.04 -1.26 -2.78 113.70 114.62 3bth s SER 120 Ca -0.06 0.82 0.04 0.00 0.48 0.00 0.00 55.95 57.23 3bth s SER 120 Cb -0.02 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 3bth s SER 120 CO -0.03 -0.81 -0.10 -0.51 0.98 0.00 0.00 173.24 172.77 3bth s ILE 121 N -2.86 3.36 0.38 -1.02 1.10 -0.24 -4.87 121.20 117.06 3bth s ILE 121 Ca 0.50 -0.88 -0.24 0.00 -0.51 0.00 0.00 60.65 59.53 3bth s ILE 121 Cb -0.10 -2.44 -0.10 0.00 0.15 0.00 0.00 42.46 39.97 3bth s ILE 121 CO 0.45 0.40 0.97 -0.44 -2.11 0.00 0.00 174.94 174.21 3bth s SER 122 N -1.36 7.06 0.44 4.50 0.01 -1.26 -4.58 113.70 118.51 3bth s SER 122 Ca 0.16 1.85 -0.21 0.00 1.31 0.00 0.00 55.95 59.06 3bth s SER 122 Cb -0.11 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.45 3bth s SER 122 CO 0.06 -0.27 0.96 -0.76 0.41 0.00 0.00 173.24 173.64 3bth s LEU 123 N -2.56 3.92 0.41 2.44 1.43 -1.26 -0.77 118.68 122.28 3bth s LEU 123 Ca 0.56 1.71 -0.24 0.00 -1.03 0.00 0.00 54.13 55.13 3bth s LEU 123 Cb -0.17 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.43 3bth s LEU 123 CO 0.21 -0.42 1.10 -2.16 0.23 0.00 0.00 176.35 175.32 3bth s PRO 124 N -3.23 4.06 0.18 1.29 0.04 -1.26 -4.77 135.00 131.32 3bth s PRO 124 Ca 0.62 1.64 0.17 0.00 0.04 0.00 0.00 61.00 63.47 3bth s PRO 124 Cb -0.10 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 3bth s PRO 124 CO 0.15 -0.26 1.14 1.15 0.04 0.00 0.00 177.00 179.22 3bth h THR 125 N 2.16 0.61 -3.22 1.26 2.02 -1.96 -3.48 112.91 110.30 3bth h THR 125 Ca -0.49 -1.99 -0.03 0.00 0.77 0.00 0.00 66.41 64.68 3bth h THR 125 Cb 1.23 2.16 -0.12 0.00 -1.74 0.00 0.00 68.15 69.68 3bth h THR 125 CO 0.62 0.35 0.06 -0.94 0.37 0.00 0.00 175.52 175.97 3bth s SER 127 N -6.06 -0.36 0.55 4.18 1.04 -1.26 -5.16 113.70 106.63 3bth s SER 127 Ca 0.01 -0.24 -0.19 0.00 0.48 0.00 0.00 55.95 56.00 3bth s SER 127 Cb 0.08 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 3bth s SER 127 CO 0.78 -0.95 1.16 0.00 0.98 0.00 0.00 173.24 175.21 3bth s ALA 129 N -1.69 3.45 0.25 0.00 0.00 -1.26 -5.09 121.76 117.42 3bth s ALA 129 Ca 0.74 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3bth s ALA 129 Cb -0.26 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3bth s ALA 129 CO 0.29 0.19 0.44 -1.54 0.00 0.00 0.00 175.76 175.14 3bth s SER 130 N -2.89 6.35 0.32 0.00 1.04 -1.26 -5.02 113.70 112.23 3bth s SER 130 Ca 0.49 0.36 -0.28 0.00 0.48 0.00 0.00 55.95 57.01 3bth s SER 130 Cb -0.11 -1.99 -0.13 0.00 0.10 0.00 0.00 66.02 63.89 3bth s SER 130 CO 0.27 -0.12 1.15 0.00 0.98 0.00 0.00 173.24 175.52 3bth n ALA 132 N -1.13 0.55 0.00 5.32 0.00 -1.26 -1.32 120.51 122.67 3bth n ALA 132 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3bth n ALA 132 Cb 0.55 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3bth n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bth n GLY 133 N 1.00 3.37 3.73 0.00 0.00 0.98 -4.94 105.19 109.33 3bth n GLY 133 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3bth n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bth s THR 134 N -2.81 2.37 0.01 2.61 2.01 -0.44 -4.62 115.64 114.78 3bth s THR 134 Ca 0.00 0.28 -0.22 0.00 0.31 0.00 0.00 61.69 62.06 3bth s THR 134 Cb 0.00 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 3bth s THR 134 CO 0.00 0.03 0.67 0.00 -0.69 0.00 0.00 174.62 174.63 3bth s GLN 135 N 0.45 4.39 0.11 4.92 1.03 -1.26 -0.31 119.66 129.00 3bth s GLN 135 Ca 0.67 0.87 0.04 0.00 0.04 0.00 0.00 55.36 56.98 3bth s GLN 135 Cb -0.46 -3.36 -0.04 0.00 0.03 0.00 0.00 33.01 29.19 3bth s GLN 135 CO 0.38 0.32 -0.10 0.00 -2.54 0.00 0.00 175.29 173.35 3bth s LEU 137 N -2.75 3.90 -0.09 0.00 2.96 0.21 -1.04 118.68 121.87 3bth s LEU 137 Ca 0.10 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3bth s LEU 137 Cb -0.00 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3bth s LEU 137 CO -0.00 0.00 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.31 3bth s ILE 138 N 1.42 3.51 0.05 6.68 1.01 0.82 -1.27 121.20 133.42 3bth s ILE 138 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3bth s ILE 138 Cb -0.15 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 3bth s ILE 138 CO 0.07 0.57 -0.04 -0.94 0.00 0.00 0.00 174.94 174.59 3bth s SER 139 N -0.40 0.59 0.00 3.58 1.04 -1.20 -0.78 113.70 116.52 3bth s SER 139 Ca 0.05 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.70 3bth s SER 139 Cb -0.12 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3bth s SER 139 CO 0.02 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.43 3bth n GLY 140 N 0.73 0.59 1.26 7.32 0.00 -0.76 -4.45 105.19 109.87 3bth n GLY 140 Ca -0.18 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3bth n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3bth n TRP 141 N -0.46 1.39 -1.61 1.61 8.01 -1.26 -1.83 117.44 123.29 3bth n TRP 141 Ca 0.00 -1.21 -0.30 0.00 -1.31 0.00 0.00 57.50 54.68 3bth n TRP 141 Cb 0.00 -0.47 0.23 0.00 -2.01 0.00 0.00 31.31 29.05 3bth n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3bth s GLY 142 N -1.92 1.74 0.29 6.99 0.00 -1.25 -4.31 107.32 108.86 3bth s GLY 142 Ca 0.46 -1.24 -0.29 0.00 0.00 0.00 0.00 44.72 43.65 3bth s GLY 142 CO 0.07 -0.36 1.35 -2.01 0.00 0.00 0.00 173.10 172.15 3bth n ASN 143 N -4.26 2.77 -0.92 1.64 2.85 -0.10 -3.18 115.26 114.06 3bth n ASN 143 Ca 0.16 1.18 0.09 0.00 -0.11 0.00 0.00 54.58 55.90 3bth n ASN 143 Cb 0.59 -1.46 0.18 0.00 1.24 0.00 0.00 39.78 40.33 3bth n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3bth n THR 144 N 1.10 0.59 -5.07 -0.44 -2.24 0.11 -1.43 114.28 106.90 3bth n THR 144 Ca 0.08 -0.80 -0.32 0.00 -2.27 0.00 0.00 64.05 60.74 3bth n THR 144 Cb 0.34 0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 69.28 3bth n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3bth s LYS 145 N -1.21 2.45 -0.04 -0.78 3.01 -1.26 -4.34 119.74 117.57 3bth s LYS 145 Ca 0.31 -0.80 -0.23 0.00 -1.01 0.00 0.00 55.97 54.24 3bth s LYS 145 Cb 0.18 -2.26 -0.23 0.00 -1.01 0.00 0.00 37.83 34.51 3bth s LYS 145 CO 0.25 0.54 1.06 0.77 0.51 0.00 0.00 175.35 178.47 3bth h SER 146 N 5.60 0.29 -4.29 2.83 0.02 -1.93 -3.38 113.55 112.68 3bth h SER 146 Ca -0.42 -0.75 -0.50 0.00 -0.84 0.00 0.00 61.79 59.28 3bth h SER 146 Cb 1.15 -0.09 -0.26 0.00 0.14 0.00 0.00 62.40 63.35 3bth h SER 146 CO 0.49 1.00 -0.81 -0.94 -1.14 0.00 0.00 176.83 175.43 3bth s SER 147 N -6.38 1.97 0.98 3.07 1.04 -1.26 -4.67 113.70 108.45 3bth s SER 147 Ca -0.15 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3bth s SER 147 Cb 0.02 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3bth s SER 147 CO 0.76 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.69 3bth n GLY 148 N 2.01 -0.18 2.75 7.32 0.00 -1.26 -5.68 105.19 110.15 3bth n GLY 148 Ca -0.17 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 3bth n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bth s THR 149 N 0.00 -0.05 -0.29 2.61 2.01 -1.26 -4.65 115.64 114.00 3bth s THR 149 Ca 0.00 0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.26 3bth s THR 149 Cb 0.00 -0.11 0.19 0.00 0.01 0.00 0.00 72.50 72.59 3bth s THR 149 CO 0.00 0.12 0.70 -0.55 -0.69 0.00 0.00 174.62 174.20 3bth s SER 150 N 1.35 -1.28 -0.14 3.53 0.15 -1.26 -4.96 113.70 111.08 3bth s SER 150 Ca -0.06 0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.79 3bth s SER 150 Cb -0.13 1.89 -0.05 0.00 -1.71 0.00 0.00 66.02 66.03 3bth s SER 150 CO -0.03 -0.24 0.34 -0.31 1.20 0.00 0.00 173.24 174.21 3bth s TYR 151 N 2.87 3.49 0.72 3.44 2.02 -1.26 -0.71 117.35 127.92 3bth s TYR 151 Ca 0.15 0.69 -0.11 0.00 -0.37 0.00 0.00 57.07 57.42 3bth s TYR 151 Cb -0.10 -2.39 0.02 0.00 -0.40 0.00 0.00 41.96 39.10 3bth s TYR 151 CO -0.23 0.25 1.08 -1.25 -1.57 0.00 0.00 175.55 173.83 3bth s PRO 152 N 0.42 2.71 -0.16 -1.71 0.04 -1.26 -5.01 135.00 130.03 3bth s PRO 152 Ca 0.19 0.62 -0.18 0.00 0.04 0.00 0.00 61.00 61.67 3bth s PRO 152 Cb -0.14 -1.99 -0.23 0.00 0.04 0.00 0.00 34.50 32.18 3bth s PRO 152 CO 0.06 -1.17 0.37 -0.44 0.04 0.00 0.00 177.00 175.86 3bth h ASP 153 N -0.76 0.17 -2.51 6.66 3.32 -1.94 -3.46 116.42 117.90 3bth h ASP 153 Ca -0.45 -0.71 -0.47 0.00 0.02 0.00 0.00 57.03 55.42 3bth h ASP 153 Cb 1.24 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3bth h ASP 153 CO 0.61 1.55 -0.29 0.68 -1.72 0.00 0.00 179.24 180.07 3bth s VAL 154 N -2.41 5.08 0.23 -1.35 -7.23 -1.26 -0.74 120.40 112.73 3bth s VAL 154 Ca -0.25 -0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 3bth s VAL 154 Cb 0.05 -3.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.07 3bth s VAL 154 CO 0.67 -0.44 1.36 -0.22 -0.31 0.00 0.00 175.10 176.16 3bth s LEU 155 N -4.18 4.41 0.12 1.32 2.96 -1.14 -4.84 118.68 117.32 3bth s LEU 155 Ca 0.38 2.53 0.04 0.00 -0.22 0.00 0.00 54.13 56.86 3bth s LEU 155 Cb -0.09 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3bth s LEU 155 CO 0.33 -0.59 0.07 -0.54 -1.32 0.00 0.00 176.35 174.30 3bth s LYS 156 N -0.38 2.77 0.13 1.98 -0.14 -0.76 -2.20 119.74 121.14 3bth s LYS 156 Ca 0.57 -0.82 0.07 0.00 -1.36 0.00 0.00 55.97 54.43 3bth s LYS 156 Cb -0.39 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.10 3bth s LYS 156 CO 0.41 0.52 -0.16 0.00 -0.76 0.00 0.00 175.35 175.37 3bth s LEU 158 N -2.43 -0.19 -0.22 0.00 2.96 0.04 -0.60 118.68 118.23 3bth s LEU 158 Ca 0.10 0.93 -0.14 0.00 -0.22 0.00 0.00 54.13 54.81 3bth s LEU 158 Cb -0.06 1.40 -0.04 0.00 0.50 0.00 0.00 46.19 47.99 3bth s LEU 158 CO 0.04 -0.20 0.32 -0.54 -1.32 0.00 0.00 176.35 174.65 3bth s LYS 159 N 1.53 4.11 0.01 1.98 3.01 -1.26 -0.13 119.74 129.00 3bth s LYS 159 Ca -0.09 0.02 -0.02 0.00 -1.01 0.00 0.00 55.97 54.87 3bth s LYS 159 Cb -0.09 -3.56 -0.01 0.00 -1.01 0.00 0.00 37.83 33.17 3bth s LYS 159 CO -0.13 -0.04 0.03 0.00 0.51 0.00 0.00 175.35 175.71 3bth s ALA 160 N 1.35 -0.04 0.22 5.17 0.00 -0.21 -4.94 121.76 123.32 3bth s ALA 160 Ca 0.15 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 3bth s ALA 160 Cb -0.15 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 3bth s ALA 160 CO 0.07 -0.16 0.54 -1.25 0.00 0.00 0.00 175.76 174.97 3bth s PRO 161 N -1.26 3.80 0.22 0.00 0.04 -1.26 -0.18 135.00 136.36 3bth s PRO 161 Ca -0.14 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 60.87 3bth s PRO 161 Cb -0.08 -2.66 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 3bth s PRO 161 CO -0.00 0.33 1.18 0.42 0.04 0.00 0.00 177.00 178.97 3bth s ILE 162 N -1.80 3.46 0.20 0.56 1.01 0.58 -1.88 121.20 123.33 3bth s ILE 162 Ca 0.47 1.31 0.04 0.00 0.00 0.00 0.00 60.65 62.46 3bth s ILE 162 Cb -0.11 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3bth s ILE 162 CO 0.21 0.24 0.32 -0.76 0.00 0.00 0.00 174.94 174.96 3bth s LEU 163 N -0.69 4.31 0.59 2.97 1.43 -0.09 -0.01 118.68 127.19 3bth s LEU 163 Ca 0.50 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.52 3bth s LEU 163 Cb -0.33 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 3bth s LEU 163 CO 0.39 -0.01 1.20 -0.94 0.23 0.00 0.00 176.35 177.22 3bth s SER 164 N -3.64 5.24 0.35 2.29 1.04 -1.26 -4.54 113.70 113.19 3bth s SER 164 Ca 0.34 2.38 0.05 0.00 0.48 0.00 0.00 55.95 59.19 3bth s SER 164 Cb -0.10 -2.60 0.70 0.00 0.10 0.00 0.00 66.02 64.12 3bth s SER 164 CO 0.29 -1.56 1.96 -0.78 0.98 0.00 0.00 173.24 174.13 3bth h ASP 165 N 0.93 0.70 -0.00 7.02 3.58 -1.97 -1.11 116.42 125.57 3bth h ASP 165 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3bth h ASP 165 Cb 1.29 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 3bth h ASP 165 CO 0.55 0.46 -0.01 0.77 -2.88 0.00 0.00 179.24 178.13 3bth h SER 166 N 0.80 -0.04 -0.04 2.28 4.64 -1.99 0.50 113.55 119.70 3bth h SER 166 Ca 0.31 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.50 3bth h SER 166 Cb 0.21 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3bth h SER 166 CO -0.10 -0.02 -0.43 0.77 -0.87 0.00 0.00 176.83 176.17 3bth h SER 167 N -0.02 0.62 -0.32 4.97 4.64 -1.82 -1.29 113.55 120.33 3bth h SER 167 Ca 0.01 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3bth h SER 167 Cb 0.03 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3bth h SER 167 CO -0.02 0.97 0.20 0.00 -0.87 0.00 0.00 176.83 177.11 3bth h LYS 169 N 0.42 0.00 -0.21 0.00 1.57 -0.72 -1.90 116.57 115.74 3bth h LYS 169 Ca 0.12 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 3bth h LYS 169 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3bth h LYS 169 CO -0.02 0.31 -0.55 0.77 -0.57 0.00 0.00 179.45 179.39 3bth h SER 170 N 0.00 0.69 0.07 0.86 0.02 -0.29 -2.82 113.55 112.09 3bth h SER 170 Ca -0.00 -0.37 -0.13 0.00 -0.84 0.00 0.00 61.79 60.45 3bth h SER 170 Cb 0.61 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3bth h SER 170 CO 0.04 1.10 -0.45 0.00 -1.14 0.00 0.00 176.83 176.38 3bth h ALA 171 N 0.91 0.88 -2.51 3.77 0.00 -0.62 -3.37 119.26 118.33 3bth h ALA 171 Ca 0.01 -0.46 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 3bth h ALA 171 Cb 1.11 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.40 3bth h ALA 171 CO 0.11 0.65 -0.82 0.66 0.00 0.00 0.00 179.25 179.84 3bth n TYR 172 N -4.00 1.05 -1.68 0.00 4.01 -0.76 -4.98 117.16 110.80 3bth n TYR 172 Ca -0.02 -3.77 -0.51 0.00 -0.16 0.00 0.00 57.90 53.44 3bth n TYR 172 Cb 0.53 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 39.29 3bth n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3bth n PRO 173 N 2.08 1.83 -1.50 -0.72 -0.02 -1.07 -2.00 135.00 133.60 3bth n PRO 173 Ca 0.25 0.67 -0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3bth n PRO 173 Cb 0.44 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 3bth n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bth n GLY 174 N 4.12 1.17 0.00 -1.23 0.00 -1.26 -4.85 105.19 103.14 3bth n GLY 174 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3bth n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bth n GLN 175 N -2.57 3.62 -3.20 1.61 6.02 -0.85 -5.02 117.38 116.99 3bth n GLN 175 Ca -0.13 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.46 3bth n GLN 175 Cb 0.46 -0.64 -0.06 0.00 1.02 0.00 0.00 30.24 31.02 3bth n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3bth s ILE 176 N -1.19 5.09 0.54 5.09 -1.09 -1.24 -5.03 121.20 123.37 3bth s ILE 176 Ca 0.00 1.07 0.08 0.00 -2.23 0.00 0.00 60.65 59.57 3bth s ILE 176 Cb 0.00 -3.89 0.05 0.00 -1.58 0.00 0.00 42.46 37.05 3bth s ILE 176 CO 0.00 0.19 0.60 0.42 -1.23 0.00 0.00 174.94 174.92 3bth s THR 177 N 1.47 2.08 -0.68 2.92 -4.23 -1.26 -4.98 115.64 110.95 3bth s THR 177 Ca 0.27 -1.21 0.19 0.00 -1.18 0.00 0.00 61.69 59.76 3bth s THR 177 Cb -0.16 -2.29 0.19 0.00 1.34 0.00 0.00 72.50 71.58 3bth s THR 177 CO 0.11 0.00 1.58 -1.54 -0.54 0.00 0.00 174.62 174.23 3bth n SER 178 N -1.98 0.38 -1.24 3.99 3.41 -1.26 -2.27 113.62 114.65 3bth n SER 178 Ca 0.08 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 3bth n SER 178 Cb 0.62 -0.68 0.29 0.00 -0.26 0.00 0.00 64.21 64.18 3bth n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3bth n ASN 179 N -1.93 3.62 -4.22 4.04 3.02 -1.26 -4.92 115.26 113.61 3bth n ASN 179 Ca 0.02 -2.12 -0.17 0.00 -0.03 0.00 0.00 54.58 52.28 3bth n ASN 179 Cb 0.18 -0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 38.78 3bth n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3bth s MET 180 N -1.37 0.95 0.03 3.52 -1.94 -0.96 -0.52 119.30 119.01 3bth s MET 180 Ca 0.43 -1.17 -0.06 0.00 -1.71 0.00 0.00 55.69 53.17 3bth s MET 180 Cb 0.24 -0.82 -0.01 0.00 2.01 0.00 0.00 34.83 36.25 3bth s MET 180 CO 0.26 0.16 0.10 -0.59 -0.01 0.00 0.00 175.02 174.94 3bth s PHE 181 N -2.04 0.16 0.10 -0.03 -0.12 -0.31 -4.76 117.98 110.98 3bth s PHE 181 Ca 0.06 -0.41 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 3bth s PHE 181 Cb -0.05 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3bth s PHE 181 CO 0.02 -0.34 0.24 0.00 -0.05 0.00 0.00 175.22 175.09 3bth s ALA 183 N -1.61 -1.03 0.00 0.00 0.00 -0.90 -0.91 121.76 117.32 3bth s ALA 183 Ca 0.35 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3bth s ALA 183 Cb -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3bth s ALA 183 CO 0.28 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3bth n GLY 184 N 2.01 0.66 3.04 0.00 0.00 -0.79 -2.92 105.19 107.19 3bth n GLY 184 Ca -0.17 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 3bth n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bth s TYR 184 N -2.82 1.44 0.38 1.61 1.51 -1.26 -4.36 117.35 113.85 3bth s TYR 184 Ca 0.00 -0.49 0.23 0.00 -1.01 0.00 0.00 57.07 55.79 3bth s TYR 184 Cb 0.00 -1.04 1.20 0.00 -0.11 0.00 0.00 41.96 42.01 3bth s TYR 184 CO 0.00 -0.24 1.99 -0.07 -1.11 0.00 0.00 175.55 176.12 3bth h LEU 185 N 6.78 0.00 -1.48 -1.29 3.38 -1.96 -1.83 115.31 118.91 3bth h LEU 185 Ca -0.31 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3bth h LEU 185 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3bth h LEU 185 CO 0.48 0.19 -0.16 -0.33 0.09 0.00 0.00 178.44 178.71 3bth h GLU 186 N 0.00 0.00 0.00 1.13 4.39 -1.95 0.37 114.58 118.52 3bth h GLU 186 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bth h GLU 186 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3bth h GLU 186 CO 0.02 0.16 0.00 0.41 -1.16 0.00 0.00 179.01 178.44 3bth n GLY 187 N -0.17 -2.54 2.06 -3.84 0.00 -0.69 -4.21 105.19 95.80 3bth n GLY 187 Ca -0.01 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3bth n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bth n GLY 188 N -0.21 3.10 2.84 -0.02 0.00 0.11 -4.88 105.19 106.13 3bth n GLY 188 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3bth n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bth s LYS 188 N -0.35 1.04 0.08 1.61 1.02 -1.26 -3.39 119.74 118.50 3bth s LYS 188 Ca 0.00 -0.07 -0.27 0.00 0.02 0.00 0.00 55.97 55.66 3bth s LYS 188 Cb 0.00 -1.25 0.09 0.00 -0.52 0.00 0.00 37.83 36.15 3bth s LYS 188 CO 0.00 -0.28 1.13 0.34 -0.92 0.00 0.00 175.35 175.63 3bth s ASP 189 N 1.80 -0.07 0.66 2.83 2.15 -0.50 -4.35 116.67 119.20 3bth s ASP 189 Ca 0.04 -0.35 -0.05 0.00 0.43 0.00 0.00 52.55 52.61 3bth s ASP 189 Cb -0.12 0.34 0.05 0.00 -0.30 0.00 0.00 42.92 42.88 3bth s ASP 189 CO -0.06 -0.64 0.96 -0.44 -0.17 0.00 0.00 175.17 174.82 3bth s SER 190 N -3.19 5.04 0.36 -0.34 0.01 -1.26 -0.29 113.70 114.04 3bth s SER 190 Ca 0.18 0.45 -0.14 0.00 1.31 0.00 0.00 55.95 57.75 3bth s SER 190 Cb 0.01 -1.21 0.06 0.00 0.21 0.00 0.00 66.02 65.08 3bth s SER 190 CO 0.01 -1.42 0.76 0.00 0.41 0.00 0.00 173.24 172.99 3bth n GLN 192 N -0.51 1.71 0.00 0.00 3.00 -1.26 -1.50 117.38 118.81 3bth n GLN 192 Ca -0.08 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 3bth n GLN 192 Cb 0.56 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.44 3bth n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bth n GLY 193 N 3.67 1.52 0.06 1.08 0.00 -1.26 -0.92 105.19 109.34 3bth n GLY 193 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 3bth n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bth n ASP 194 N 0.00 0.59 -4.49 1.61 8.00 -0.56 -3.93 116.55 117.77 3bth n ASP 194 Ca 0.00 0.05 -0.45 0.00 0.71 0.00 0.00 54.79 55.09 3bth n ASP 194 Cb 0.00 0.87 -0.02 0.00 -0.02 0.00 0.00 41.12 41.95 3bth n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3bth n SER 195 N -2.29 -0.15 0.00 -2.24 7.64 -1.26 -1.49 113.62 113.83 3bth n SER 195 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 3bth n SER 195 Cb 0.50 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 3bth n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bth n GLY 196 N 1.64 2.74 3.74 0.23 0.00 0.07 -0.43 105.19 113.18 3bth n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3bth n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bth s GLY 197 N -1.71 1.57 0.41 -0.02 0.00 -0.56 -3.19 107.32 103.83 3bth s GLY 197 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 44.72 44.02 3bth s GLY 197 CO 0.00 0.10 0.91 2.56 0.00 0.00 0.00 173.10 176.66 3bth s PRO 198 N -5.18 4.19 -0.30 2.90 0.04 -1.26 -1.32 135.00 134.06 3bth s PRO 198 Ca 0.65 1.03 0.01 0.00 0.04 0.00 0.00 61.00 62.73 3bth s PRO 198 Cb -0.16 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.24 3bth s PRO 198 CO 0.55 0.01 0.06 0.08 0.04 0.00 0.00 177.00 177.74 3bth s VAL 199 N -2.14 1.31 -0.18 -0.36 1.01 -0.84 -3.27 120.40 115.93 3bth s VAL 199 Ca 0.60 -1.56 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 3bth s VAL 199 Cb -0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3bth s VAL 199 CO 0.14 -0.54 0.02 -0.69 0.00 0.00 0.00 175.10 174.03 3bth s VAL 200 N 1.41 4.37 -0.09 2.92 1.01 -0.39 -1.12 120.40 128.51 3bth s VAL 200 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3bth s VAL 200 Cb -0.18 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.26 3bth s VAL 200 CO -0.17 0.46 -0.09 0.00 0.00 0.00 0.00 175.10 175.30 3bth n SER 202 N 4.52 0.00 0.00 0.00 2.88 -1.26 -1.46 113.62 118.29 3bth n SER 202 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 3bth n SER 202 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3bth n SER 202 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bth n GLY 203 N 0.00 0.00 3.22 0.46 0.00 -1.26 -4.99 105.19 102.62 3bth n GLY 203 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3bth n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bth s LYS 204 N 0.00 1.38 -0.58 1.61 -0.14 -0.53 -4.13 119.74 117.34 3bth s LYS 204 Ca 0.00 -0.84 -0.28 0.00 -1.36 0.00 0.00 55.97 53.49 3bth s LYS 204 Cb 0.00 -1.43 0.02 0.00 -1.68 0.00 0.00 37.83 34.74 3bth s LYS 204 CO 0.00 0.37 1.34 -1.17 -0.76 0.00 0.00 175.35 175.13 3bth s LEU 209 N -0.96 3.40 -0.13 3.17 2.96 0.05 -1.05 118.68 126.13 3bth s LEU 209 Ca 0.07 0.19 0.19 0.00 -0.22 0.00 0.00 54.13 54.36 3bth s LEU 209 Cb -0.08 -3.06 -0.28 0.00 0.50 0.00 0.00 46.19 43.27 3bth s LEU 209 CO 0.01 -1.65 0.25 0.00 -1.32 0.00 0.00 176.35 173.65 3bth n GLN 210 N 8.64 0.68 -4.09 1.98 1.13 -0.27 -3.99 117.38 121.45 3bth n GLN 210 Ca 0.11 -0.06 -0.10 0.00 -1.94 0.00 0.00 57.00 55.00 3bth n GLN 210 Cb 0.49 -1.54 -0.08 0.00 0.11 0.00 0.00 30.24 29.22 3bth n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3bth s GLY 211 N -5.11 0.92 -0.08 1.08 0.00 -0.84 -1.35 107.32 101.94 3bth s GLY 211 Ca -0.09 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.37 3bth s GLY 211 CO 0.86 -1.09 -0.12 -0.42 0.00 0.00 0.00 173.10 172.33 3bth s ILE 212 N -4.06 1.20 0.09 0.90 1.01 -1.00 -1.99 121.20 117.35 3bth s ILE 212 Ca 0.27 -0.48 -0.33 0.00 0.00 0.00 0.00 60.65 60.11 3bth s ILE 212 Cb 0.05 -1.12 -0.12 0.00 0.01 0.00 0.00 42.46 41.27 3bth s ILE 212 CO 0.06 0.38 1.73 0.52 0.00 0.00 0.00 174.94 177.63 3bth n VAL 213 N 4.11 0.24 0.00 2.92 0.31 -0.44 -1.17 118.33 124.31 3bth n VAL 213 Ca -0.20 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3bth n VAL 213 Cb 0.51 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 3bth n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3bth n SER 214 N 4.86 0.00 -2.51 4.52 2.88 -1.02 -0.75 113.62 121.59 3bth n SER 214 Ca 0.19 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.62 3bth n SER 214 Cb 0.32 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.76 3bth n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 3bth n TRP 215 N -2.42 -1.42 -0.24 0.66 4.27 -0.89 -4.90 117.44 112.50 3bth n TRP 215 Ca 0.00 -1.73 0.00 0.00 -3.89 0.00 0.00 57.50 51.88 3bth n TRP 215 Cb 0.00 0.49 0.00 0.00 -1.36 0.00 0.00 31.31 30.44 3bth n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3bth n GLY 216 N -0.44 -1.33 3.19 -1.67 0.00 -1.26 -0.61 105.19 103.07 3bth n GLY 216 Ca -0.01 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 3bth n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bth s SER 217 N -0.31 5.69 0.40 1.61 1.04 -1.26 -4.97 113.70 115.89 3bth s SER 217 Ca 0.00 -2.28 0.00 0.00 0.48 0.00 0.00 55.95 54.15 3bth s SER 217 Cb 0.00 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.14 3bth s SER 217 CO 0.00 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3bth n GLY 219 N 4.38 -0.21 2.91 7.32 0.00 -1.26 -4.59 105.19 113.74 3bth n GLY 219 Ca -0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 3bth n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bth n ALA 221 N 3.58 -0.54 -1.80 0.00 0.00 -1.26 -4.69 120.51 115.79 3bth n ALA 221 Ca -0.20 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 3bth n ALA 221 Cb 0.54 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 3bth n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3bth s GLN 221 N -4.56 4.33 0.33 0.00 -1.52 -1.26 -0.72 119.66 116.27 3bth s GLN 221 Ca 0.00 1.26 -0.29 0.00 -1.95 0.00 0.00 55.36 54.38 3bth s GLN 221 Cb 0.00 -2.45 -0.11 0.00 -0.22 0.00 0.00 33.01 30.23 3bth s GLN 221 CO 0.00 0.05 1.42 -1.59 -0.25 0.00 0.00 175.29 174.92 3bth s LYS 222 N -2.67 4.23 -0.37 2.91 -2.85 -1.26 -2.27 119.74 117.45 3bth s LYS 222 Ca 0.57 2.39 0.00 0.00 -1.00 0.00 0.00 55.97 57.93 3bth s LYS 222 Cb -0.15 -3.04 0.00 0.00 -2.06 0.00 0.00 37.83 32.59 3bth s LYS 222 CO 0.19 -0.39 0.00 0.09 0.10 0.00 0.00 175.35 175.34 3bth n ASN 223 N 1.07 -5.31 -3.35 0.03 3.02 0.13 -4.90 115.26 105.95 3bth n ASN 223 Ca 0.02 0.09 -0.26 0.00 -0.03 0.00 0.00 54.58 54.40 3bth n ASN 223 Cb 0.40 -3.12 -0.08 0.00 -0.61 0.00 0.00 39.78 36.37 3bth n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3bth n LYS 224 N -0.37 1.29 -1.24 3.52 4.76 -0.96 -4.75 118.16 120.40 3bth n LYS 224 Ca -0.04 -3.77 -0.30 0.00 -2.87 0.00 0.00 58.31 51.34 3bth n LYS 224 Cb 0.43 -1.68 0.12 0.00 -1.84 0.00 0.00 35.03 32.05 3bth n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3bth s PRO 225 N -1.44 1.67 0.57 1.97 0.04 -1.26 -4.31 135.00 132.24 3bth s PRO 225 Ca 0.35 0.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 3bth s PRO 225 Cb 0.13 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 3bth s PRO 225 CO -0.10 -1.99 1.07 0.20 0.04 0.00 0.00 177.00 176.22 3bth s GLY 226 N -3.43 2.28 -0.09 0.56 0.00 -1.15 -4.67 107.32 100.82 3bth s GLY 226 Ca 0.62 0.51 -0.00 0.00 0.00 0.00 0.00 44.72 45.85 3bth s GLY 226 CO 0.56 0.84 -0.07 0.14 0.00 0.00 0.00 173.10 174.57 3bth s VAL 227 N -2.25 3.68 0.10 1.40 1.01 0.22 -2.12 120.40 122.44 3bth s VAL 227 Ca 0.66 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.23 3bth s VAL 227 Cb -0.17 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3bth s VAL 227 CO 0.32 0.57 -0.17 -0.31 0.00 0.00 0.00 175.10 175.52 3bth s TYR 228 N -0.45 1.48 -0.01 5.22 1.51 0.86 -2.10 117.35 123.85 3bth s TYR 228 Ca 0.07 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 3bth s TYR 228 Cb -0.12 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 3bth s TYR 228 CO 0.02 0.14 1.13 0.99 -1.11 0.00 0.00 175.55 176.72 3bth s THR 229 N -1.44 4.38 -0.87 -0.71 2.01 -0.32 -1.16 115.64 117.54 3bth s THR 229 Ca 0.04 1.70 -0.25 0.00 0.31 0.00 0.00 61.69 63.49 3bth s THR 229 Cb -0.09 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.36 3bth s THR 229 CO 0.03 0.08 1.45 -0.75 -0.69 0.00 0.00 174.62 174.74 3bth s LYS 230 N 1.50 3.29 0.43 4.92 2.20 0.32 -2.36 119.74 130.04 3bth s LYS 230 Ca 0.55 -0.59 0.09 0.00 -0.36 0.00 0.00 55.97 55.66 3bth s LYS 230 Cb -0.25 -4.80 0.93 0.00 -1.51 0.00 0.00 37.83 32.20 3bth s LYS 230 CO 0.25 -2.31 2.07 0.28 -0.36 0.00 0.00 175.35 175.29 3bth h VAL 231 N 6.53 1.08 -0.03 4.02 2.07 -1.52 -2.61 116.25 125.80 3bth h VAL 231 Ca -0.03 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.34 3bth h VAL 231 Cb 1.04 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3bth h VAL 231 CO 1.34 0.08 0.08 0.00 0.02 0.00 0.00 177.57 179.10 3bth n ASN 233 N -3.27 0.34 0.00 0.00 4.13 -0.98 -3.93 115.26 111.54 3bth n ASN 233 Ca -0.02 -0.46 0.00 0.00 1.68 0.00 0.00 54.58 55.78 3bth n ASN 233 Cb 0.16 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 3bth n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3bth n TYR 234 N -1.05 0.00 -0.29 3.10 4.01 -0.03 -4.83 117.16 118.06 3bth n TYR 234 Ca 0.14 -0.22 0.04 0.00 -0.16 0.00 0.00 57.90 57.70 3bth n TYR 234 Cb 0.27 -0.02 0.19 0.00 -0.31 0.00 0.00 39.34 39.46 3bth n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3bth h VAL 235 N 0.22 0.85 -0.31 -0.72 2.07 -1.66 0.16 116.25 116.86 3bth h VAL 235 Ca 0.00 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 3bth h VAL 235 Cb 0.30 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3bth h VAL 235 CO 0.00 0.14 -0.30 0.77 0.02 0.00 0.00 177.57 178.20 3bth h SER 236 N 0.74 0.80 -0.64 0.57 4.64 -1.89 -1.37 113.55 116.41 3bth h SER 236 Ca 0.42 -0.47 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3bth h SER 236 Cb 0.45 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 3bth h SER 236 CO -0.28 1.10 0.35 -0.25 -0.87 0.00 0.00 176.83 176.88 3bth h TRP 237 N 0.52 0.87 0.40 4.77 7.01 -1.75 -1.70 115.95 126.08 3bth h TRP 237 Ca 0.05 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 3bth h TRP 237 Cb 0.87 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.66 3bth h TRP 237 CO 0.07 0.62 -0.19 0.82 -2.79 0.00 0.00 178.44 176.97 3bth h ILE 238 N 0.87 0.60 -0.44 2.65 2.04 -0.52 -0.25 117.51 122.46 3bth h ILE 238 Ca 0.22 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.09 3bth h ILE 238 Cb 0.04 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3bth h ILE 238 CO -0.04 0.01 0.21 0.11 0.00 0.00 0.00 178.15 178.44 3bth h LYS 239 N -0.56 0.42 -0.32 2.37 1.57 -1.12 -0.45 116.57 118.47 3bth h LYS 239 Ca -0.06 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3bth h LYS 239 Cb 0.43 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3bth h LYS 239 CO 0.09 0.28 -0.13 0.37 -0.57 0.00 0.00 179.45 179.49 3bth h GLN 240 N 0.43 0.66 -0.59 3.15 5.75 -1.29 -2.23 115.11 121.00 3bth h GLN 240 Ca 0.19 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3bth h GLN 240 Cb 0.11 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3bth h GLN 240 CO -0.14 0.86 0.38 1.15 -2.65 0.00 0.00 178.83 178.43 3bth h THR 241 N 0.43 1.15 -0.68 2.39 2.02 -0.76 -1.64 112.91 115.83 3bth h THR 241 Ca 0.08 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3bth h THR 241 Cb 0.65 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3bth h THR 241 CO 0.04 0.15 0.41 0.40 0.37 0.00 0.00 175.52 176.89 3bth h ILE 242 N 0.79 1.19 0.00 3.11 5.03 -1.04 -2.95 117.51 123.65 3bth h ILE 242 Ca 0.21 -0.42 -0.05 0.00 -0.12 0.00 0.00 64.86 64.48 3bth h ILE 242 Cb -0.08 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 33.95 3bth h ILE 242 CO -0.05 0.20 -0.24 0.00 -0.68 0.00 0.00 178.15 177.38 3bth h ALA 243 N 1.21 1.10 -0.56 1.87 0.00 -0.87 -3.19 119.26 118.82 3bth h ALA 243 Ca 0.24 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 3bth h ALA 243 Cb -0.04 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.54 3bth h ALA 243 CO -0.05 0.31 0.14 -1.13 0.00 0.00 0.00 179.25 178.52 3bth n SER 244 N -3.53 2.93 0.00 0.00 3.41 -0.66 -5.09 113.62 110.67 3bth n SER 244 Ca -0.01 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 3bth n SER 244 Cb 0.40 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3bth n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47