#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dbm s ILE 2 N 0.00 1.81 0.31 5.09 1.01 -1.26 -4.54 121.20 123.61 1dbm s ILE 2 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 59.58 1dbm s ILE 2 Cb 0.00 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1dbm s ILE 2 CO 0.00 0.21 0.14 -1.10 0.00 0.00 0.00 174.94 174.19 1dbm s GLN 3 N 1.33 1.59 -0.10 2.79 -0.21 -1.10 -5.04 119.66 118.92 1dbm s GLN 3 Ca -0.01 -1.91 0.03 0.00 0.02 0.00 0.00 55.36 53.49 1dbm s GLN 3 Cb -0.16 -0.19 0.01 0.00 1.00 0.00 0.00 33.01 33.67 1dbm s GLN 3 CO -0.09 -0.42 -0.18 -0.51 -2.12 0.00 0.00 175.29 171.97 1dbm s LEU 4 N -3.39 1.87 -0.14 2.90 1.43 -1.26 -3.16 118.68 116.93 1dbm s LEU 4 Ca 0.35 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1dbm s LEU 4 Cb 0.05 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1dbm s LEU 4 CO 0.17 0.07 -0.05 -0.69 0.23 0.00 0.00 176.35 176.08 1dbm s VAL 5 N 0.70 3.81 0.08 -1.59 1.01 0.58 -4.33 120.40 120.65 1dbm s VAL 5 Ca -0.12 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1dbm s VAL 5 Cb -0.16 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1dbm s VAL 5 CO 0.03 0.51 -0.19 -1.10 0.00 0.00 0.00 175.10 174.34 1dbm s GLN 6 N 0.22 1.89 1.31 2.72 -0.21 -1.26 -0.69 119.66 123.64 1dbm s GLN 6 Ca -0.03 -1.09 -0.19 0.00 0.02 0.00 0.00 55.36 54.07 1dbm s GLN 6 Cb -0.14 -2.12 0.33 0.00 1.00 0.00 0.00 33.01 32.08 1dbm s GLN 6 CO 0.03 0.51 0.98 -1.54 -2.12 0.00 0.00 175.29 173.15 1dbm s SER 7 N -1.73 -0.17 1.16 5.90 1.04 -1.22 -4.97 113.70 113.70 1dbm s SER 7 Ca 0.16 1.08 -0.18 0.00 0.48 0.00 0.00 55.95 57.49 1dbm s SER 7 Cb -0.10 -1.61 0.27 0.00 0.10 0.00 0.00 66.02 64.67 1dbm s SER 7 CO 0.07 -4.85 1.10 -0.83 0.98 0.00 0.00 173.24 169.71 1dbm s GLY 8 N -2.96 1.57 0.45 7.32 0.00 -1.26 -4.67 107.32 107.77 1dbm s GLY 8 Ca 0.69 -0.81 -0.23 0.00 0.00 0.00 0.00 44.72 44.37 1dbm s GLY 8 CO 0.60 0.02 1.17 2.56 0.00 0.00 0.00 173.10 177.45 1dbm s PRO 9 N -5.29 3.80 -0.01 2.90 0.04 -1.26 -4.75 135.00 130.44 1dbm s PRO 9 Ca 0.70 1.80 0.03 0.00 0.04 0.00 0.00 61.00 63.56 1dbm s PRO 9 Cb -0.12 -2.45 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 1dbm s PRO 9 CO 0.57 -0.52 -0.09 -1.21 0.04 0.00 0.00 177.00 175.79 1dbm s GLU 10 N -2.63 0.76 -0.09 4.56 0.41 -1.08 -5.01 118.70 115.62 1dbm s GLU 10 Ca 0.62 -0.31 0.01 0.00 -0.41 0.00 0.00 54.97 54.89 1dbm s GLU 10 Cb -0.29 -0.73 -0.02 0.00 -1.78 0.00 0.00 34.13 31.30 1dbm s GLU 10 CO 0.36 0.17 -0.12 -1.17 -0.49 0.00 0.00 175.26 174.01 1dbm s LEU 11 N -0.12 2.80 0.13 1.80 2.96 -1.26 -1.34 118.68 123.65 1dbm s LEU 11 Ca 0.02 -0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 53.51 1dbm s LEU 11 Cb -0.04 -1.61 0.05 0.00 0.50 0.00 0.00 46.19 45.09 1dbm s LEU 11 CO -0.00 0.26 0.50 -0.54 -1.32 0.00 0.00 176.35 175.25 1dbm s LYS 12 N -0.22 1.15 0.16 1.98 -0.14 -0.86 -4.95 119.74 116.87 1dbm s LYS 12 Ca 0.01 -0.54 0.10 0.00 -1.36 0.00 0.00 55.97 54.18 1dbm s LYS 12 Cb -0.13 0.52 -0.04 0.00 -1.68 0.00 0.00 37.83 36.50 1dbm s LYS 12 CO 0.03 -0.47 -0.22 0.15 -0.76 0.00 0.00 175.35 174.08 1dbm s LYS 13 N -3.60 1.37 0.44 1.68 1.02 -1.25 -0.59 119.74 118.81 1dbm s LYS 13 Ca 0.01 -1.41 -0.20 0.00 0.02 0.00 0.00 55.97 54.39 1dbm s LYS 13 Cb 0.00 -1.62 -0.15 0.00 -0.52 0.00 0.00 37.83 35.54 1dbm s LYS 13 CO -0.11 0.35 0.10 -2.30 -0.92 0.00 0.00 175.35 172.48 1dbm n PRO 14 N 0.49 0.08 0.00 -1.68 -0.02 -1.26 -2.47 135.00 130.14 1dbm n PRO 14 Ca -0.15 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1dbm n PRO 14 Cb 0.56 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 1dbm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dbm n GLY 15 N 2.30 2.14 3.57 -1.23 0.00 -0.36 -4.84 105.19 106.76 1dbm n GLY 15 Ca 0.10 -0.35 -0.53 0.00 0.00 0.00 0.00 46.02 45.25 1dbm n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dbm n GLU 16 N 0.00 0.90 -2.27 1.61 1.02 -1.03 -1.40 120.64 119.48 1dbm n GLU 16 Ca 0.00 0.32 -0.22 0.00 -0.02 0.00 0.00 57.16 57.25 1dbm n GLU 16 Cb 0.00 -1.90 0.12 0.00 -0.02 0.00 0.00 31.44 29.64 1dbm n GLU 16 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1dbm n THR 17 N 2.10 0.00 -3.66 2.62 -2.24 -1.26 -3.62 114.28 108.22 1dbm n THR 17 Ca 0.18 -1.33 -0.08 0.00 -2.27 0.00 0.00 64.05 60.55 1dbm n THR 17 Cb 0.18 -1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 67.29 1dbm n THR 17 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dbm s VAL 18 N -2.88 -0.19 -0.32 2.28 0.11 -0.86 -4.94 120.40 113.60 1dbm s VAL 18 Ca 0.61 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.60 1dbm s VAL 18 Cb -0.03 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 1dbm s VAL 18 CO 0.41 0.02 0.18 -0.75 -3.33 0.00 0.00 175.10 171.63 1dbm s LYS 19 N 1.79 3.35 -0.03 1.54 2.20 -1.26 -2.84 119.74 124.51 1dbm s LYS 19 Ca -0.09 -0.72 -0.17 0.00 -0.36 0.00 0.00 55.97 54.63 1dbm s LYS 19 Cb -0.08 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1dbm s LYS 19 CO -0.16 -0.44 0.48 0.42 -0.36 0.00 0.00 175.35 175.29 1dbm s ILE 20 N 1.64 5.01 0.33 5.43 1.01 0.47 -4.94 121.20 130.15 1dbm s ILE 20 Ca 0.05 1.00 0.08 0.00 0.00 0.00 0.00 60.65 61.77 1dbm s ILE 20 Cb -0.17 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1dbm s ILE 20 CO 0.07 0.47 0.27 -0.94 0.00 0.00 0.00 174.94 174.81 1dbm s SER 21 N -0.40 5.23 -0.29 3.58 1.04 -1.26 -1.26 113.70 120.34 1dbm s SER 21 Ca 0.26 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.19 1dbm s SER 21 Cb -0.17 -0.96 0.18 0.00 0.10 0.00 0.00 66.02 65.17 1dbm s SER 21 CO 0.14 -0.33 0.55 0.00 0.98 0.00 0.00 173.24 174.58 1dbm s LYS 23 N 2.79 2.80 -0.02 0.00 2.36 0.13 -0.81 119.74 126.98 1dbm s LYS 23 Ca 0.15 -0.54 0.01 0.00 -2.55 0.00 0.00 55.97 53.04 1dbm s LYS 23 Cb -0.13 -2.66 -0.04 0.00 -1.05 0.00 0.00 37.83 33.96 1dbm s LYS 23 CO -0.23 0.66 -0.00 0.00 1.55 0.00 0.00 175.35 177.33 1dbm s ALA 24 N -0.92 3.27 -0.23 3.13 0.00 0.53 -0.31 121.76 127.23 1dbm s ALA 24 Ca 0.15 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 1dbm s ALA 24 Cb -0.11 -1.36 0.06 0.00 0.00 0.00 0.00 23.12 21.71 1dbm s ALA 24 CO 0.05 0.63 0.60 -1.54 0.00 0.00 0.00 175.76 175.49 1dbm s SER 25 N -1.40 -0.66 0.00 0.00 1.04 -1.19 -4.84 113.70 106.65 1dbm s SER 25 Ca 0.18 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.84 1dbm s SER 25 Cb -0.11 1.21 0.00 0.00 0.10 0.00 0.00 66.02 67.21 1dbm s SER 25 CO 0.08 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1dbm n GLY 26 N 3.13 0.77 3.35 7.32 0.00 -1.26 -2.71 105.19 115.79 1dbm n GLY 26 Ca -0.16 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 1dbm n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dbm s TYR 27 N -0.76 1.63 -1.13 1.61 -0.85 -1.26 -4.92 117.35 111.66 1dbm s TYR 27 Ca 0.00 -1.16 -0.22 0.00 -0.52 0.00 0.00 57.07 55.16 1dbm s TYR 27 Cb 0.00 -0.97 -0.09 0.00 0.38 0.00 0.00 41.96 41.28 1dbm s TYR 27 CO 0.00 -0.29 1.92 0.00 -1.52 0.00 0.00 175.55 175.66 1dbm n ALA 28 N -0.53 2.19 -0.28 9.51 0.00 -1.26 -4.88 120.51 125.26 1dbm n ALA 28 Ca -0.00 -3.13 0.27 0.00 0.00 0.00 0.00 53.44 50.58 1dbm n ALA 28 Cb 0.66 -3.51 0.49 0.00 0.00 0.00 0.00 19.45 17.09 1dbm n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dbm n PHE 29 N 12.86 0.98 0.23 0.00 7.35 -1.26 -1.93 117.46 135.70 1dbm n PHE 29 Ca 0.46 1.02 0.09 0.00 -0.76 0.00 0.00 57.45 58.26 1dbm n PHE 29 Cb 0.45 -1.42 0.58 0.00 0.35 0.00 0.00 39.48 39.45 1dbm n PHE 29 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1dbm h THR 30 N 0.00 0.81 -0.75 -2.13 2.02 -1.91 -3.34 112.91 107.61 1dbm h THR 30 Ca 0.72 -0.78 -0.53 0.00 0.77 0.00 0.00 66.41 66.59 1dbm h THR 30 Cb 1.89 1.47 -0.37 0.00 -1.74 0.00 0.00 68.15 69.41 1dbm h THR 30 CO -0.67 0.20 -0.41 -0.46 0.37 0.00 0.00 175.52 174.54 1dbm n ASN 31 N -3.82 5.23 -4.16 4.18 2.04 -0.81 -3.93 115.26 113.99 1dbm n ASN 31 Ca -0.02 -3.77 -0.11 0.00 -0.44 0.00 0.00 54.58 50.25 1dbm n ASN 31 Cb 0.30 -0.50 -0.10 0.00 -2.53 0.00 0.00 39.78 36.95 1dbm n ASN 31 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 1dbm s TYR 32 N -3.61 0.97 0.17 -2.53 2.02 -1.26 -4.77 117.35 108.33 1dbm s TYR 32 Ca 0.53 -1.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.04 1dbm s TYR 32 Cb 0.43 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 41.49 1dbm s TYR 32 CO 0.02 -0.62 0.05 0.20 -1.57 0.00 0.00 175.55 173.63 1dbm s GLY 33 N -3.10 1.73 -0.36 0.71 0.00 -0.15 -4.27 107.32 101.87 1dbm s GLY 33 Ca 0.32 -1.31 -0.09 0.00 0.00 0.00 0.00 44.72 43.64 1dbm s GLY 33 CO 0.08 -1.32 0.17 0.14 0.00 0.00 0.00 173.10 172.16 1dbm s VAL 34 N -1.74 4.24 0.07 1.40 1.01 -0.39 -1.38 120.40 123.61 1dbm s VAL 34 Ca 0.29 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1dbm s VAL 34 Cb -0.10 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1dbm s VAL 34 CO 0.20 -0.23 0.39 0.20 0.00 0.00 0.00 175.10 175.67 1dbm s ASN 35 N 1.51 6.65 -0.20 3.32 0.01 -0.78 -0.94 114.94 124.52 1dbm s ASN 35 Ca 0.00 0.79 -0.04 0.00 -0.71 0.00 0.00 52.86 52.91 1dbm s ASN 35 Cb -0.19 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.27 1dbm s ASN 35 CO 0.05 0.19 -0.03 0.26 -1.51 0.00 0.00 177.10 176.06 1dbm s TRP 36 N -1.37 2.98 -0.06 2.20 0.52 -1.23 -0.79 118.94 121.20 1dbm s TRP 36 Ca 0.32 -0.64 0.02 0.00 0.02 0.00 0.00 56.10 55.82 1dbm s TRP 36 Cb -0.14 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 1dbm s TRP 36 CO 0.17 -0.34 -0.12 0.08 0.02 0.00 0.00 176.95 176.77 1dbm s VAL 37 N 1.08 3.28 -0.13 4.03 1.01 -0.30 -0.83 120.40 128.55 1dbm s VAL 37 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1dbm s VAL 37 Cb -0.15 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1dbm s VAL 37 CO 0.00 0.59 -0.10 -0.75 0.00 0.00 0.00 175.10 174.84 1dbm s LYS 38 N -0.68 3.41 -0.40 2.72 2.20 0.27 -0.77 119.74 126.49 1dbm s LYS 38 Ca 0.10 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1dbm s LYS 38 Cb -0.11 -2.70 0.11 0.00 -1.51 0.00 0.00 37.83 33.63 1dbm s LYS 38 CO 0.01 0.26 0.14 -2.00 -0.36 0.00 0.00 175.35 173.40 1dbm s GLU 39 N 0.26 1.52 0.15 4.03 2.12 -0.07 -1.76 118.70 124.96 1dbm s GLU 39 Ca -0.07 -2.02 -0.01 0.00 0.36 0.00 0.00 54.97 53.22 1dbm s GLU 39 Cb -0.15 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1dbm s GLU 39 CO 0.05 -1.02 0.34 0.00 -0.54 0.00 0.00 175.26 174.08 1dbm s ALA 40 N 0.56 3.87 -0.43 6.30 0.00 -1.26 -1.52 121.76 129.28 1dbm s ALA 40 Ca 0.13 -0.78 -0.27 0.00 0.00 0.00 0.00 51.96 51.04 1dbm s ALA 40 Cb -0.22 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1dbm s ALA 40 CO -0.07 0.58 2.21 -1.25 0.00 0.00 0.00 175.76 177.24 1dbm s PRO 41 N -2.99 2.55 -0.52 0.00 0.04 -1.26 -0.69 135.00 132.13 1dbm s PRO 41 Ca 0.38 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 1dbm s PRO 41 Cb -0.12 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1dbm s PRO 41 CO 0.28 -2.77 0.45 0.41 0.04 0.00 0.00 177.00 175.40 1dbm n GLY 42 N 5.84 0.31 2.31 0.56 0.00 -1.26 -5.02 105.19 107.93 1dbm n GLY 42 Ca 0.31 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1dbm n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dbm n LYS 43 N -2.26 0.55 -3.09 1.61 4.01 0.13 -5.18 118.16 113.94 1dbm n LYS 43 Ca -0.03 -2.39 -0.17 0.00 -0.51 0.00 0.00 58.31 55.21 1dbm n LYS 43 Cb 0.53 1.51 0.00 0.00 -0.51 0.00 0.00 35.03 36.57 1dbm n LYS 43 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1dbm s GLU 44 N -3.04 2.81 -0.60 1.97 2.02 -1.26 -4.59 118.70 116.01 1dbm s GLU 44 Ca 0.19 -1.27 -0.26 0.00 0.02 0.00 0.00 54.97 53.65 1dbm s GLU 44 Cb 0.01 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 1dbm s GLU 44 CO 0.13 -0.25 2.01 -1.17 0.02 0.00 0.00 175.26 176.00 1dbm s LEU 45 N -4.32 3.30 -0.09 1.80 2.96 -1.26 -4.30 118.68 116.77 1dbm s LEU 45 Ca 0.54 0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 54.69 1dbm s LEU 45 Cb -0.09 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1dbm s LEU 45 CO 0.32 -2.55 0.61 -0.75 -1.32 0.00 0.00 176.35 172.66 1dbm s LYS 46 N 7.37 4.39 -0.16 1.98 2.20 -0.72 -4.92 119.74 129.88 1dbm s LYS 46 Ca 0.75 0.70 -0.19 0.00 -0.36 0.00 0.00 55.97 56.87 1dbm s LYS 46 Cb -0.13 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1dbm s LYS 46 CO 0.21 0.08 0.52 -0.46 -0.36 0.00 0.00 175.35 175.34 1dbm s TRP 47 N 0.80 3.44 -0.18 4.03 -0.00 -1.26 -0.56 118.94 125.21 1dbm s TRP 47 Ca 0.33 0.86 -0.14 0.00 -0.00 0.00 0.00 56.10 57.14 1dbm s TRP 47 Cb -0.17 -2.64 -0.08 0.00 -0.00 0.00 0.00 33.47 30.59 1dbm s TRP 47 CO 0.15 0.02 -0.16 -0.12 -0.00 0.00 0.00 176.95 176.83 1dbm n MET 48 N 4.28 0.51 0.00 5.86 1.56 -0.01 -4.84 117.12 124.49 1dbm n MET 48 Ca -0.05 0.43 0.00 0.00 -0.27 0.00 0.00 57.70 57.81 1dbm n MET 48 Cb 0.51 -1.62 0.00 0.00 2.15 0.00 0.00 33.22 34.26 1dbm n MET 48 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1dbm n GLY 49 N 1.50 3.81 3.65 -5.12 0.00 -1.23 -1.20 105.19 106.61 1dbm n GLY 49 Ca -0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 1dbm n GLY 49 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1dbm s TRP 50 N -0.13 -0.00 -0.15 1.61 -0.00 -0.05 -3.49 118.94 116.72 1dbm s TRP 50 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 56.10 56.07 1dbm s TRP 50 Cb 0.00 0.50 0.05 0.00 -0.00 0.00 0.00 33.47 34.02 1dbm s TRP 50 CO 0.00 -0.00 0.06 -1.50 -0.00 0.00 0.00 176.95 175.51 1dbm s ILE 51 N -0.81 0.14 -0.13 5.86 2.07 -0.11 -0.86 121.20 127.36 1dbm s ILE 51 Ca 0.09 -0.17 -0.24 0.00 -1.41 0.00 0.00 60.65 58.92 1dbm s ILE 51 Cb -0.02 -0.65 -0.02 0.00 0.13 0.00 0.00 42.46 41.90 1dbm s ILE 51 CO -0.10 -0.14 0.78 0.21 -1.91 0.00 0.00 174.94 173.77 1dbm s ASN 52 N 2.04 6.96 0.00 4.50 2.47 -1.21 -1.26 114.94 128.44 1dbm s ASN 52 Ca 0.02 1.17 0.25 0.00 0.42 0.00 0.00 52.86 54.72 1dbm s ASN 52 Cb -0.15 -2.44 1.12 0.00 -1.45 0.00 0.00 41.25 38.34 1dbm s ASN 52 CO -0.07 -0.29 1.82 -0.38 -3.72 0.00 0.00 177.10 174.46 1dbm n ILE 52 N 4.39 0.24 0.00 -5.21 2.08 -1.26 -1.32 119.36 118.28 1dbm n ILE 52 Ca 0.02 0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.39 1dbm n ILE 52 Cb 0.50 -0.63 0.00 0.00 -0.75 0.00 0.00 39.64 38.76 1dbm n ILE 52 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1dbm n TYR 53 N -1.46 0.00 0.24 1.39 4.01 -1.25 -4.34 117.16 115.75 1dbm n TYR 53 Ca 0.07 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.89 1dbm n TYR 53 Cb 0.28 -0.42 0.59 0.00 -0.31 0.00 0.00 39.34 39.48 1dbm n TYR 53 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1dbm h THR 54 N 0.00 1.02 0.00 -0.72 1.35 -1.94 -3.45 112.91 109.17 1dbm h THR 54 Ca 0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1dbm h THR 54 Cb 0.00 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1dbm h THR 54 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1dbm n GLY 55 N -1.22 0.51 3.54 5.82 0.00 -0.44 -5.04 105.19 108.37 1dbm n GLY 55 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1dbm n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dbm s GLU 56 N -0.15 3.07 0.11 1.61 8.01 -1.23 -4.91 118.70 125.22 1dbm s GLU 56 Ca 0.00 -0.55 -0.27 0.00 0.01 0.00 0.00 54.97 54.16 1dbm s GLU 56 Cb 0.00 -2.69 -0.06 0.00 -4.31 0.00 0.00 34.13 27.07 1dbm s GLU 56 CO 0.00 0.50 0.85 -1.25 0.01 0.00 0.00 175.26 175.38 1dbm s PRO 57 N -0.38 4.62 -0.17 0.39 0.04 -1.26 -3.33 135.00 134.92 1dbm s PRO 57 Ca 0.05 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.33 1dbm s PRO 57 Cb -0.12 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 1dbm s PRO 57 CO 0.02 0.35 -0.09 0.99 0.04 0.00 0.00 177.00 178.31 1dbm s THR 58 N -0.39 3.20 0.20 1.26 2.01 -0.04 -4.98 115.64 116.89 1dbm s THR 58 Ca 0.41 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.88 1dbm s THR 58 Cb -0.23 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1dbm s THR 58 CO 0.27 0.49 0.21 -0.31 -0.69 0.00 0.00 174.62 174.58 1dbm s TYR 59 N 0.81 3.22 -0.58 4.92 1.51 -1.26 -0.87 117.35 125.10 1dbm s TYR 59 Ca -0.03 -0.04 -0.09 0.00 -1.01 0.00 0.00 57.07 55.90 1dbm s TYR 59 Cb -0.15 -1.50 0.15 0.00 -0.11 0.00 0.00 41.96 40.35 1dbm s TYR 59 CO 0.01 0.51 0.46 0.08 -1.11 0.00 0.00 175.55 175.50 1dbm s VAL 60 N -1.92 4.45 -0.26 0.71 1.01 -0.34 -4.93 120.40 119.12 1dbm s VAL 60 Ca 0.32 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1dbm s VAL 60 Cb -0.09 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1dbm s VAL 60 CO 0.25 -0.85 0.02 0.47 0.00 0.00 0.00 175.10 174.99 1dbm n ASP 61 N 4.46 0.00 0.00 3.32 8.00 -1.26 -0.24 116.55 130.83 1dbm n ASP 61 Ca -0.01 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.55 1dbm n ASP 61 Cb 0.41 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.78 1dbm n ASP 61 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1dbm n ASP 62 N -0.19 0.00 -3.18 -2.24 -0.08 -1.26 -3.94 116.55 105.65 1dbm n ASP 62 Ca 0.00 0.42 -0.22 0.00 -1.51 0.00 0.00 54.79 53.48 1dbm n ASP 62 Cb 0.00 -0.46 -0.05 0.00 2.34 0.00 0.00 41.12 42.95 1dbm n ASP 62 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1dbm n PHE 63 N -1.46 0.76 -4.70 -0.67 3.01 0.66 -5.13 117.46 109.94 1dbm n PHE 63 Ca 0.04 -3.78 -0.33 0.00 1.01 0.00 0.00 57.45 54.38 1dbm n PHE 63 Cb 0.13 -0.42 -0.12 0.00 -0.01 0.00 0.00 39.48 39.06 1dbm n PHE 63 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1dbm s LYS 64 N -2.13 2.81 0.00 -1.08 2.47 -1.25 -4.39 119.74 116.16 1dbm s LYS 64 Ca 0.39 -0.60 0.00 0.00 -1.56 0.00 0.00 55.97 54.20 1dbm s LYS 64 Cb 0.26 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 34.07 1dbm s LYS 64 CO -0.09 0.58 0.00 0.41 0.16 0.00 0.00 175.35 176.41 1dbm n GLY 65 N 2.47 2.34 0.07 5.54 0.00 -1.26 -4.68 105.19 109.67 1dbm n GLY 65 Ca -0.18 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 1dbm n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dbm h ARG 66 N 0.00 0.00 -5.71 1.61 3.08 -1.95 -3.46 114.38 107.95 1dbm h ARG 66 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1dbm h ARG 66 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1dbm h ARG 66 CO 0.00 0.99 0.35 -0.06 -1.07 0.00 0.00 179.97 180.18 1dbm s PHE 67 N -2.23 3.24 -0.24 3.04 0.40 -1.26 -4.47 117.98 116.46 1dbm s PHE 67 Ca -0.20 0.87 0.01 0.00 -0.60 0.00 0.00 56.93 57.00 1dbm s PHE 67 Cb -0.02 -3.09 0.04 0.00 0.51 0.00 0.00 43.02 40.46 1dbm s PHE 67 CO 0.67 -0.48 -0.11 0.00 0.70 0.00 0.00 175.22 176.01 1dbm s ALA 68 N 2.82 2.57 0.09 5.36 0.00 -0.07 -4.83 121.76 127.71 1dbm s ALA 68 Ca 0.31 -1.56 -0.27 0.00 0.00 0.00 0.00 51.96 50.45 1dbm s ALA 68 Cb -0.15 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.36 1dbm s ALA 68 CO 0.10 -0.90 0.83 -0.06 0.00 0.00 0.00 175.76 175.73 1dbm s PHE 69 N 1.22 3.80 0.26 0.00 0.40 -1.26 -1.91 117.98 120.48 1dbm s PHE 69 Ca -0.03 1.61 0.03 0.00 -0.60 0.00 0.00 56.93 57.94 1dbm s PHE 69 Cb -0.17 -2.88 -0.01 0.00 0.51 0.00 0.00 43.02 40.47 1dbm s PHE 69 CO -0.06 0.31 0.11 -1.13 0.70 0.00 0.00 175.22 175.15 1dbm n SER 70 N 2.52 0.82 -3.54 1.36 3.41 -0.63 -4.95 113.62 112.62 1dbm n SER 70 Ca -0.02 -2.42 -0.10 0.00 -0.26 0.00 0.00 58.87 56.08 1dbm n SER 70 Cb 0.49 0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 65.16 1dbm n SER 70 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1dbm s LEU 71 N 0.00 -0.37 -0.36 1.04 0.20 -1.26 -1.53 118.68 116.39 1dbm s LEU 71 Ca 0.16 0.22 0.03 0.00 0.69 0.00 0.00 54.13 55.24 1dbm s LEU 71 Cb 0.01 1.96 0.16 0.00 -0.43 0.00 0.00 46.19 47.88 1dbm s LEU 71 CO 0.11 -0.48 0.40 -0.70 -0.29 0.00 0.00 176.35 175.40 1dbm s GLU 72 N -2.07 0.61 0.44 1.98 2.56 -0.17 -4.96 118.70 117.09 1dbm s GLU 72 Ca 0.01 -0.62 0.13 0.00 0.00 0.00 0.00 54.97 54.49 1dbm s GLU 72 Cb -0.01 -0.58 1.04 0.00 2.00 0.00 0.00 34.13 36.58 1dbm s GLU 72 CO -0.03 -1.16 2.02 1.15 -0.56 0.00 0.00 175.26 176.68 1dbm h THR 73 N 5.28 0.95 0.00 -1.70 2.02 -1.97 -0.34 112.91 117.15 1dbm h THR 73 Ca 0.02 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1dbm h THR 73 Cb 1.08 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1dbm h THR 73 CO 0.21 0.07 0.00 -1.20 0.37 0.00 0.00 175.52 174.97 1dbm n SER 74 N -4.47 0.52 -0.60 4.18 7.64 -1.26 -1.67 113.62 117.96 1dbm n SER 74 Ca 0.07 0.65 0.07 0.00 1.01 0.00 0.00 58.87 60.66 1dbm n SER 74 Cb 0.28 -0.75 0.18 0.00 -1.01 0.00 0.00 64.21 62.91 1dbm n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dbm n ALA 75 N -1.72 2.51 -4.48 -0.43 0.00 -0.14 -4.99 120.51 111.26 1dbm n ALA 75 Ca 0.02 -1.82 -0.40 0.00 0.00 0.00 0.00 53.44 51.24 1dbm n ALA 75 Cb 0.18 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 1dbm n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dbm n SER 76 N -0.29 -1.39 -3.98 0.00 7.64 -0.67 -4.81 113.62 110.11 1dbm n SER 76 Ca 0.15 -1.24 -0.23 0.00 1.01 0.00 0.00 58.87 58.56 1dbm n SER 76 Cb 0.63 -1.70 -0.16 0.00 -1.01 0.00 0.00 64.21 61.97 1dbm n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1dbm s THR 77 N -3.47 0.95 0.00 0.44 2.01 -1.22 -0.35 115.64 114.01 1dbm s THR 77 Ca 0.67 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1dbm s THR 77 Cb -0.39 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1dbm s THR 77 CO 1.02 0.32 0.05 0.00 -0.69 0.00 0.00 174.62 175.32 1dbm s ALA 78 N 0.73 3.48 0.08 7.40 0.00 0.01 -1.00 121.76 132.46 1dbm s ALA 78 Ca -0.14 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1dbm s ALA 78 Cb -0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1dbm s ALA 78 CO 0.03 0.68 -0.11 0.71 0.00 0.00 0.00 175.76 177.07 1dbm s TYR 79 N -1.17 1.02 -0.13 0.00 2.02 -0.58 -1.26 117.35 117.25 1dbm s TYR 79 Ca 0.22 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.38 1dbm s TYR 79 Cb -0.12 -0.57 0.01 0.00 -0.40 0.00 0.00 41.96 40.88 1dbm s TYR 79 CO 0.13 -0.00 -0.23 -1.17 -1.57 0.00 0.00 175.55 172.71 1dbm s LEU 80 N -2.06 2.12 -0.03 -1.29 0.20 -0.39 -1.60 118.68 115.63 1dbm s LEU 80 Ca 0.00 -0.58 0.07 0.00 0.69 0.00 0.00 54.13 54.31 1dbm s LEU 80 Cb -0.06 -1.44 -0.02 0.00 -0.43 0.00 0.00 46.19 44.24 1dbm s LEU 80 CO 0.01 0.11 -0.25 -0.70 -0.29 0.00 0.00 176.35 175.22 1dbm s GLU 81 N 0.64 2.16 0.46 1.98 2.12 -0.80 -0.40 118.70 124.86 1dbm s GLU 81 Ca -0.11 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 54.31 1dbm s GLU 81 Cb -0.16 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.20 1dbm s GLU 81 CO 0.02 0.51 0.02 -0.89 -0.54 0.00 0.00 175.26 174.39 1dbm n ILE 82 N 2.56 0.00 -1.52 -3.70 5.41 -1.13 -0.89 119.36 120.09 1dbm n ILE 82 Ca -0.16 -2.16 0.00 0.00 1.00 0.00 0.00 62.75 61.43 1dbm n ILE 82 Cb 0.51 0.40 0.00 0.00 -0.71 0.00 0.00 39.64 39.85 1dbm n ILE 82 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1dbm n ASN 82 N -1.31 0.00 -4.63 4.38 4.05 -0.49 -2.03 115.26 115.23 1dbm n ASN 82 Ca -0.18 0.00 -0.51 0.00 0.45 0.00 0.00 54.58 54.34 1dbm n ASN 82 Cb 0.58 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.54 1dbm n ASN 82 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1dbm n LEU 82 N -0.60 2.20 0.00 1.20 4.77 -1.16 -4.38 117.00 119.03 1dbm n LEU 82 Ca 0.00 1.10 -0.15 0.00 -0.03 0.00 0.00 56.01 56.93 1dbm n LEU 82 Cb 0.00 -1.26 0.04 0.00 -2.33 0.00 0.00 43.42 39.88 1dbm n LEU 82 CO 0.00 -0.73 0.24 0.29 -1.33 0.00 0.00 177.39 175.86 1dbm n LYS 83 N 3.28 0.74 0.19 3.23 5.02 -1.26 -1.23 118.16 128.13 1dbm n LYS 83 Ca 0.19 -2.28 0.07 0.00 -2.02 0.00 0.00 58.31 54.27 1dbm n LYS 83 Cb 0.22 -0.12 0.28 0.00 -0.02 0.00 0.00 35.03 35.39 1dbm n LYS 83 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1dbm h ASN 84 N 0.12 0.00 0.24 4.39 4.21 -1.94 -3.25 115.58 119.35 1dbm h ASN 84 Ca -0.20 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 1dbm h ASN 84 Cb 0.90 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.10 1dbm h ASN 84 CO 0.29 0.34 -0.06 -0.33 -1.29 0.00 0.00 177.43 176.39 1dbm h GLU 85 N 0.00 0.00 0.00 0.81 3.07 -1.95 -3.09 114.58 113.42 1dbm h GLU 85 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1dbm h GLU 85 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1dbm h GLU 85 CO 0.04 0.06 0.00 -0.25 -1.40 0.00 0.00 179.01 177.46 1dbm n ASP 86 N -3.57 0.00 -4.53 1.42 8.00 -1.23 -4.79 116.55 111.85 1dbm n ASP 86 Ca -0.02 0.16 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 1dbm n ASP 86 Cb 0.17 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 1dbm n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1dbm n THR 87 N -1.37 0.13 -3.83 -3.53 -1.04 -1.17 -4.73 114.28 98.74 1dbm n THR 87 Ca 0.09 -0.47 -0.05 0.00 -2.04 0.00 0.00 64.05 61.59 1dbm n THR 87 Cb 0.22 -2.18 0.01 0.00 -1.82 0.00 0.00 70.33 66.56 1dbm n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dbm s ALA 88 N 9.30 -1.38 -0.31 2.41 0.00 -1.01 -4.22 121.76 126.54 1dbm s ALA 88 Ca 1.06 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 1dbm s ALA 88 Cb -0.53 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1dbm s ALA 88 CO 0.38 -1.04 0.05 0.99 0.00 0.00 0.00 175.76 176.14 1dbm s THR 89 N -2.59 3.47 -0.34 0.00 2.01 -0.58 -1.02 115.64 116.60 1dbm s THR 89 Ca 0.17 -1.12 -0.24 0.00 0.31 0.00 0.00 61.69 60.82 1dbm s THR 89 Cb -0.03 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.57 1dbm s THR 89 CO 0.06 -0.07 0.81 -0.31 -0.69 0.00 0.00 174.62 174.43 1dbm s TYR 90 N 1.37 3.14 0.12 4.92 2.02 0.07 -0.89 117.35 128.11 1dbm s TYR 90 Ca -0.02 0.70 0.02 0.00 -0.37 0.00 0.00 57.07 57.41 1dbm s TYR 90 Cb -0.19 -3.37 -0.04 0.00 -0.40 0.00 0.00 41.96 37.97 1dbm s TYR 90 CO 0.01 -0.68 0.24 -0.06 -1.57 0.00 0.00 175.55 173.48 1dbm s PHE 91 N 3.11 3.43 -0.01 2.71 0.40 0.05 -2.74 117.98 124.94 1dbm s PHE 91 Ca 0.33 0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.83 1dbm s PHE 91 Cb -0.13 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 1dbm s PHE 91 CO 0.15 0.54 -0.10 0.00 0.70 0.00 0.00 175.22 176.51 1dbm s THR 93 N -0.93 1.44 -0.25 0.00 2.01 0.03 -0.59 115.64 117.37 1dbm s THR 93 Ca 0.15 -1.30 -0.20 0.00 0.31 0.00 0.00 61.69 60.65 1dbm s THR 93 Cb -0.11 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1dbm s THR 93 CO 0.05 -0.02 0.62 -0.60 -0.69 0.00 0.00 174.62 173.98 1dbm s ARG 94 N -1.54 4.12 0.17 4.92 3.52 -0.33 -1.86 118.95 127.94 1dbm s ARG 94 Ca 0.04 0.53 0.05 0.00 -0.13 0.00 0.00 55.73 56.23 1dbm s ARG 94 Cb -0.09 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1dbm s ARG 94 CO 0.03 -0.39 0.12 0.20 -0.81 0.00 0.00 175.30 174.44 1dbm s GLY 95 N 1.45 1.71 0.17 8.12 0.00 -0.48 -1.78 107.32 116.52 1dbm s GLY 95 Ca 0.26 -1.24 0.09 0.00 0.00 0.00 0.00 44.72 43.83 1dbm s GLY 95 CO 0.09 -1.25 -0.11 -0.35 0.00 0.00 0.00 173.10 171.47 1dbm s ASP 96 N -3.09 4.20 0.21 1.64 2.15 -0.96 -0.98 116.67 119.83 1dbm s ASP 96 Ca 0.30 -0.57 0.24 0.00 0.43 0.00 0.00 52.55 52.95 1dbm s ASP 96 Cb -0.10 -0.69 0.35 0.00 -0.30 0.00 0.00 42.92 42.18 1dbm s ASP 96 CO 0.23 0.12 1.39 1.88 -0.17 0.00 0.00 175.17 178.61 1dbm h TYR 97 N 3.05 0.00 0.00 -5.34 0.05 -1.93 -2.92 116.97 109.88 1dbm h TYR 97 Ca -0.47 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.01 1dbm h TYR 97 Cb 1.20 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.89 1dbm h TYR 97 CO 0.64 0.00 -1.74 0.28 -1.05 0.00 0.00 178.16 176.30 1dbm n VAL 98 N -2.44 1.52 0.58 -2.88 0.31 -1.26 -4.72 118.33 109.43 1dbm n VAL 98 Ca 0.03 -0.15 0.07 0.00 -0.01 0.00 0.00 64.34 64.28 1dbm n VAL 98 Cb 0.48 -2.03 0.03 0.00 -0.91 0.00 0.00 33.84 31.41 1dbm n VAL 98 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1dbm n ASN 99 N -4.37 1.84 -1.05 4.52 3.02 -1.26 -5.03 115.26 112.93 1dbm n ASN 99 Ca -0.38 -1.42 -0.14 0.00 -0.03 0.00 0.00 54.58 52.61 1dbm n ASN 99 Cb 0.72 0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 40.04 1dbm n ASN 99 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1dbm n TRP 100 N 0.36 0.00 -2.44 3.10 8.01 -1.10 -4.96 117.44 120.41 1dbm n TRP 100 Ca 0.07 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 56.01 1dbm n TRP 100 Cb 0.32 -2.82 0.10 0.00 -2.01 0.00 0.00 31.31 26.89 1dbm n TRP 100 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.69 178.20 1dbm s TYR 100 N -2.26 1.97 -0.22 -5.99 -0.85 -1.26 -4.79 117.35 103.95 1dbm s TYR 100 Ca 0.00 -0.04 -0.01 0.00 -0.52 0.00 0.00 57.07 56.49 1dbm s TYR 100 Cb 0.00 -3.15 0.01 0.00 0.38 0.00 0.00 41.96 39.20 1dbm s TYR 100 CO 0.00 -1.68 -0.10 -0.06 -1.52 0.00 0.00 175.55 172.19 1dbm s PHE 100 N -3.21 2.94 0.00 -3.49 0.08 -1.26 -2.27 117.98 110.77 1dbm s PHE 100 Ca 0.65 -1.39 0.00 0.00 0.12 0.00 0.00 56.93 56.31 1dbm s PHE 100 Cb -0.07 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1dbm s PHE 100 CO 0.45 -0.70 0.07 -0.40 -0.10 0.00 0.00 175.22 174.54 1dbm n ASP 101 N 4.69 0.15 -3.95 1.36 5.75 -0.73 -4.90 116.55 118.92 1dbm n ASP 101 Ca -0.18 -0.57 -0.29 0.00 -0.01 0.00 0.00 54.79 53.74 1dbm n ASP 101 Cb 0.49 0.83 -0.16 0.00 -1.03 0.00 0.00 41.12 41.25 1dbm n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1dbm s VAL 102 N -0.83 1.31 0.07 2.12 1.01 -1.25 -5.01 120.40 117.81 1dbm s VAL 102 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1dbm s VAL 102 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1dbm s VAL 102 CO 0.00 0.28 0.05 0.26 0.00 0.00 0.00 175.10 175.69 1dbm s TRP 103 N 1.57 3.14 0.70 5.22 0.52 -1.26 -1.19 118.94 127.63 1dbm s TRP 103 Ca 0.02 0.07 -0.11 0.00 0.02 0.00 0.00 56.10 56.10 1dbm s TRP 103 Cb -0.14 -1.62 0.01 0.00 -1.15 0.00 0.00 33.47 30.57 1dbm s TRP 103 CO -0.09 0.51 1.07 0.20 0.02 0.00 0.00 176.95 178.66 1dbm s GLY 104 N -2.22 1.64 0.09 0.98 0.00 0.25 -4.61 107.32 103.45 1dbm s GLY 104 Ca 0.27 -0.16 0.27 0.00 0.00 0.00 0.00 44.72 45.10 1dbm s GLY 104 CO 0.19 0.18 1.84 0.00 0.00 0.00 0.00 173.10 175.31 1dbm n ALA 105 N -3.04 2.26 0.00 3.20 0.00 -1.26 -4.67 120.51 117.01 1dbm n ALA 105 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1dbm n ALA 105 Cb 0.55 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1dbm n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dbm n GLY 106 N 1.32 2.91 2.68 0.00 0.00 -1.26 -5.03 105.19 105.80 1dbm n GLY 106 Ca 0.06 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 1dbm n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dbm s THR 107 N -1.49 -0.17 -0.12 2.61 2.01 -1.11 -4.88 115.64 112.50 1dbm s THR 107 Ca 0.00 -0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.73 1dbm s THR 107 Cb 0.00 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1dbm s THR 107 CO 0.00 -0.17 0.71 -0.89 -0.69 0.00 0.00 174.62 173.57 1dbm s THR 108 N 2.21 5.01 -0.11 -0.82 2.01 -1.26 -0.75 115.64 121.93 1dbm s THR 108 Ca 0.04 1.41 -0.04 0.00 0.31 0.00 0.00 61.69 63.41 1dbm s THR 108 Cb -0.15 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1dbm s THR 108 CO -0.09 0.18 0.04 -0.69 -0.69 0.00 0.00 174.62 173.37 1dbm s VAL 109 N 1.30 4.67 -0.19 3.82 1.01 -0.19 -2.63 120.40 128.20 1dbm s VAL 109 Ca 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 1dbm s VAL 109 Cb -0.17 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1dbm s VAL 109 CO 0.15 0.58 -0.15 -0.89 0.00 0.00 0.00 175.10 174.79 1dbm s THR 110 N -0.65 2.54 -0.13 3.92 2.01 -0.45 -2.41 115.64 120.47 1dbm s THR 110 Ca 0.11 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 1dbm s THR 110 Cb -0.12 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1dbm s THR 110 CO 0.02 0.50 0.04 -0.69 -0.69 0.00 0.00 174.62 173.80 1dbm s VAL 111 N 1.25 4.60 0.30 3.82 1.01 -1.26 -2.03 120.40 128.10 1dbm s VAL 111 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1dbm s VAL 111 Cb -0.14 -3.00 0.04 0.00 0.00 0.00 0.00 36.38 33.28 1dbm s VAL 111 CO -0.08 0.54 0.56 -0.24 0.00 0.00 0.00 175.10 175.89 1dbm n SER 112 N 2.77 -1.62 0.00 3.32 2.88 0.25 -4.88 113.62 116.33 1dbm n SER 112 Ca -0.18 -2.30 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 1dbm n SER 112 Cb 0.53 2.75 0.00 0.00 -0.75 0.00 0.00 64.21 66.74 1dbm n SER 112 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1dbm n SER 113 N -1.49 0.00 -4.83 -3.46 3.41 -1.26 -3.97 113.62 102.02 1dbm n SER 113 Ca -0.05 -1.00 -0.32 0.00 -0.26 0.00 0.00 58.87 57.24 1dbm n SER 113 Cb 0.46 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1dbm n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dbm s ALA 114 N 0.00 2.93 0.27 7.33 0.00 -1.26 -5.06 121.76 125.97 1dbm s ALA 114 Ca 0.00 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.28 1dbm s ALA 114 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1dbm s ALA 114 CO 0.00 -0.53 0.06 -1.59 0.00 0.00 0.00 175.76 173.70 1dbm s LYS 115 N -4.22 2.47 0.08 0.00 0.00 -1.26 -5.05 119.74 111.77 1dbm s LYS 115 Ca 0.60 -1.33 -0.36 0.00 0.00 0.00 0.00 55.97 54.88 1dbm s LYS 115 Cb -0.12 -2.27 -0.16 0.00 0.00 0.00 0.00 37.83 35.28 1dbm s LYS 115 CO 0.36 0.35 1.46 2.41 0.00 0.00 0.00 175.35 179.94 1dbm n THR 116 N -1.00 0.04 -4.65 3.79 -1.04 -1.26 -4.74 114.28 105.42 1dbm n THR 116 Ca -0.06 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.05 61.70 1dbm n THR 116 Cb 0.59 -1.11 -0.16 0.00 -1.82 0.00 0.00 70.33 67.83 1dbm n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1dbm s THR 117 N 0.94 1.16 0.68 12.58 2.01 -1.09 -4.95 115.64 126.98 1dbm s THR 117 Ca 0.84 -0.57 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 1dbm s THR 117 Cb -0.87 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 70.64 1dbm s THR 117 CO 0.45 0.34 1.09 -2.84 -0.69 0.00 0.00 174.62 172.98 1dbm s PRO 118 N 0.11 2.77 0.09 4.92 0.02 -1.26 -3.09 135.00 138.55 1dbm s PRO 118 Ca -0.04 1.28 -0.27 0.00 0.02 0.00 0.00 61.00 62.00 1dbm s PRO 118 Cb -0.10 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 1dbm s PRO 118 CO 0.01 -1.26 0.83 -1.25 -0.33 0.00 0.00 177.00 175.00 1dbm s PRO 119 N -4.33 4.57 -0.16 5.54 0.04 -1.26 -4.57 135.00 134.83 1dbm s PRO 119 Ca 0.65 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1dbm s PRO 119 Cb -0.19 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 1dbm s PRO 119 CO 0.45 0.32 1.23 -1.12 0.04 0.00 0.00 177.00 177.91 1dbm s SER 120 N -0.25 6.98 -0.21 6.66 0.01 -0.97 -4.86 113.70 121.06 1dbm s SER 120 Ca 0.40 1.67 -0.10 0.00 1.31 0.00 0.00 55.95 59.24 1dbm s SER 120 Cb -0.22 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 1dbm s SER 120 CO 0.26 -0.73 0.13 -0.69 0.41 0.00 0.00 173.24 172.62 1dbm s VAL 121 N 3.30 5.36 0.08 3.43 1.01 -1.26 -1.05 120.40 131.27 1dbm s VAL 121 Ca 0.54 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.77 1dbm s VAL 121 Cb -0.21 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1dbm s VAL 121 CO 0.15 0.42 -0.22 -0.31 0.00 0.00 0.00 175.10 175.13 1dbm s TYR 122 N 0.55 1.95 0.11 5.22 2.02 -0.37 -4.95 117.35 121.88 1dbm s TYR 122 Ca 0.08 -0.39 -0.24 0.00 -0.37 0.00 0.00 57.07 56.14 1dbm s TYR 122 Cb -0.12 -1.12 -0.07 0.00 -0.40 0.00 0.00 41.96 40.26 1dbm s TYR 122 CO -0.00 0.17 0.75 -1.25 -1.57 0.00 0.00 175.55 173.65 1dbm s PRO 123 N -1.55 4.50 -0.20 -1.71 0.04 -1.26 -1.88 135.00 132.94 1dbm s PRO 123 Ca 0.09 1.07 -0.05 0.00 0.04 0.00 0.00 61.00 62.15 1dbm s PRO 123 Cb -0.10 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 1dbm s PRO 123 CO 0.03 0.48 -0.01 -0.51 0.04 0.00 0.00 177.00 177.03 1dbm s LEU 124 N -0.75 3.18 0.13 -3.56 1.02 -1.06 -4.95 118.68 112.69 1dbm s LEU 124 Ca 0.36 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 54.32 1dbm s LEU 124 Cb -0.22 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.15 1dbm s LEU 124 CO 0.24 0.05 -0.11 0.00 0.02 0.00 0.00 176.35 176.55 1dbm s ALA 125 N 1.08 1.39 -0.65 4.21 0.00 -1.26 -2.69 121.76 123.84 1dbm s ALA 125 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1dbm s ALA 125 Cb -0.14 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1dbm s ALA 125 CO 0.01 -0.05 0.55 -2.30 0.00 0.00 0.00 175.76 173.97 1dbm n PRO 126 N 0.10 0.00 -3.99 0.00 -0.02 -1.26 -4.74 135.00 125.08 1dbm n PRO 126 Ca -0.12 0.15 -0.32 0.00 -2.02 0.00 0.00 63.50 61.19 1dbm n PRO 126 Cb 0.59 -1.67 0.01 0.00 -0.02 0.00 0.00 33.50 32.42 1dbm n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dbm n GLY 127 N -1.05 -0.48 2.88 -1.23 0.00 -1.25 -0.96 105.19 103.10 1dbm n GLY 127 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1dbm n GLY 127 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dbm n SER 128 N -2.76 -3.06 -4.75 1.61 7.64 -0.95 -4.92 113.62 106.43 1dbm n SER 128 Ca 0.05 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 1dbm n SER 128 Cb 0.51 -2.36 -0.02 0.00 -1.01 0.00 0.00 64.21 61.34 1dbm n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dbm s ALA 129 N -0.70 3.68 -0.23 -0.43 0.00 -0.13 -4.94 121.76 119.01 1dbm s ALA 129 Ca 0.00 1.49 -0.06 0.00 0.00 0.00 0.00 51.96 53.39 1dbm s ALA 129 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1dbm s ALA 129 CO 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 175.76 174.87 1dbm s ALA 130 N -0.20 3.02 0.01 0.00 0.00 -1.26 -4.88 121.76 118.44 1dbm s ALA 130 Ca 0.60 -1.12 -0.40 0.00 0.00 0.00 0.00 51.96 51.05 1dbm s ALA 130 Cb -0.46 -1.89 -0.20 0.00 0.00 0.00 0.00 23.12 20.57 1dbm s ALA 130 CO 0.49 -0.41 1.07 0.00 0.00 0.00 0.00 175.76 176.91 1dbm n GLN 133 N 4.76 0.04 0.00 0.00 -0.00 -1.26 -4.93 117.38 115.98 1dbm n GLN 133 Ca -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 57.00 56.84 1dbm n GLN 133 Cb 0.51 -1.51 0.00 0.00 -0.00 0.00 0.00 30.24 29.24 1dbm n GLN 133 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1dbm n THR 134 N 1.50 0.00 -3.97 -0.39 -2.24 -1.26 -4.61 114.28 103.31 1dbm n THR 134 Ca 0.20 0.98 -0.33 0.00 -2.27 0.00 0.00 64.05 62.62 1dbm n THR 134 Cb 0.09 -1.88 -0.14 0.00 -2.10 0.00 0.00 70.33 66.30 1dbm n THR 134 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1dbm s ASN 135 N -2.17 4.75 -0.31 3.42 2.47 -1.26 -4.90 114.94 116.94 1dbm s ASN 135 Ca 0.00 -1.50 -0.04 0.00 0.42 0.00 0.00 52.86 51.74 1dbm s ASN 135 Cb 0.00 -1.65 0.04 0.00 -1.45 0.00 0.00 41.25 38.18 1dbm s ASN 135 CO 0.00 -0.28 0.10 -1.54 -3.72 0.00 0.00 177.10 171.66 1dbm n SER 136 N 4.50 -0.62 -3.74 -4.21 3.41 -1.26 -4.85 113.62 106.85 1dbm n SER 136 Ca -0.10 -0.04 -0.10 0.00 -0.26 0.00 0.00 58.87 58.37 1dbm n SER 136 Cb 0.42 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 63.74 1dbm n SER 136 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1dbm s MET 137 N -2.98 1.24 0.08 4.33 -1.94 -1.26 -3.47 119.30 115.30 1dbm s MET 137 Ca 0.14 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.28 1dbm s MET 137 Cb -0.08 0.48 -0.03 0.00 2.01 0.00 0.00 34.83 37.21 1dbm s MET 137 CO 0.17 -0.50 -0.08 0.08 -0.01 0.00 0.00 175.02 174.67 1dbm s VAL 138 N -3.86 0.73 -0.20 -6.03 1.01 0.55 -4.67 120.40 107.92 1dbm s VAL 138 Ca 0.08 -1.56 -0.02 0.00 0.00 0.00 0.00 61.98 60.48 1dbm s VAL 138 Cb 0.01 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 35.22 1dbm s VAL 138 CO -0.06 -0.61 0.01 -0.89 0.00 0.00 0.00 175.10 173.56 1dbm s THR 139 N -2.50 0.78 0.55 3.92 2.01 -1.26 -0.25 115.64 118.90 1dbm s THR 139 Ca 0.03 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.39 1dbm s THR 139 Cb -0.02 -1.22 0.06 0.00 0.01 0.00 0.00 72.50 71.33 1dbm s THR 139 CO -0.02 -0.17 0.60 -0.76 -0.69 0.00 0.00 174.62 173.59 1dbm s LEU 140 N 1.74 2.94 0.00 4.42 2.01 -0.33 -4.69 118.68 124.76 1dbm s LEU 140 Ca -0.02 -1.01 -0.10 0.00 0.01 0.00 0.00 54.13 53.00 1dbm s LEU 140 Cb -0.17 -1.47 0.04 0.00 0.01 0.00 0.00 46.19 44.60 1dbm s LEU 140 CO -0.07 -1.21 0.68 0.61 1.01 0.00 0.00 176.35 177.37 1dbm n GLY 141 N -2.00 1.35 3.18 -3.19 0.00 -1.09 -2.17 105.19 101.26 1dbm n GLY 141 Ca 0.08 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 1dbm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dbm s LEU 143 N -2.33 1.98 -0.31 0.00 1.98 -0.79 -2.98 118.68 116.24 1dbm s LEU 143 Ca 0.04 -0.96 -0.15 0.00 -2.89 0.00 0.00 54.13 50.17 1dbm s LEU 143 Cb -0.04 -0.97 -0.02 0.00 0.66 0.00 0.00 46.19 45.82 1dbm s LEU 143 CO 0.01 -0.24 0.39 -0.69 -1.89 0.00 0.00 176.35 173.93 1dbm s VAL 144 N 1.57 5.15 0.03 1.68 1.01 -0.33 -1.24 120.40 128.27 1dbm s VAL 144 Ca -0.03 0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1dbm s VAL 144 Cb -0.18 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1dbm s VAL 144 CO -0.07 0.01 -0.17 -0.75 0.00 0.00 0.00 175.10 174.12 1dbm s LYS 145 N 2.10 1.22 -0.62 2.72 2.20 -0.21 -1.46 119.74 125.69 1dbm s LYS 145 Ca 0.14 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.93 1dbm s LYS 145 Cb -0.16 -1.26 -0.03 0.00 -1.51 0.00 0.00 37.83 34.87 1dbm s LYS 145 CO 0.11 0.32 0.56 0.41 -0.36 0.00 0.00 175.35 176.39 1dbm n GLY 146 N 2.04 -0.71 3.27 5.54 0.00 0.10 -2.28 105.19 113.15 1dbm n GLY 146 Ca -0.17 0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1dbm n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dbm s TYR 147 N -3.14 1.33 -0.11 1.61 1.13 -0.86 -4.50 117.35 112.81 1dbm s TYR 147 Ca 0.17 -0.90 -0.25 0.00 -1.41 0.00 0.00 57.07 54.68 1dbm s TYR 147 Cb -0.02 -0.74 0.06 0.00 -1.10 0.00 0.00 41.96 40.15 1dbm s TYR 147 CO 0.51 -0.06 0.59 0.12 -2.51 0.00 0.00 175.55 174.20 1dbm s PHE 148 N -3.47 -0.58 0.00 -3.49 5.36 -1.18 -0.08 117.98 114.53 1dbm s PHE 148 Ca 0.23 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 1dbm s PHE 148 Cb 0.05 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1dbm s PHE 148 CO 0.04 -0.46 0.00 -0.35 -1.46 0.00 0.00 175.22 172.99 1dbm n PRO 149 N 1.67 1.12 -3.92 10.12 -0.04 -1.26 -2.66 135.00 140.03 1dbm n PRO 149 Ca -0.17 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.08 1dbm n PRO 149 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1dbm n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1dbm s GLU 150 N 0.07 3.38 0.76 0.54 0.41 -1.26 -4.81 118.70 117.79 1dbm s GLU 150 Ca 0.00 -0.80 -0.09 0.00 -0.41 0.00 0.00 54.97 53.66 1dbm s GLU 150 Cb 0.00 -2.87 0.17 0.00 -1.78 0.00 0.00 34.13 29.65 1dbm s GLU 150 CO 0.00 0.38 1.03 -0.35 -0.49 0.00 0.00 175.26 175.83 1dbm n PRO 151 N -1.43 -0.73 -4.16 0.39 -0.04 -1.26 -4.98 135.00 122.79 1dbm n PRO 151 Ca -0.08 -1.93 -0.16 0.00 -0.04 0.00 0.00 63.50 61.29 1dbm n PRO 151 Cb 0.57 -0.96 -0.14 0.00 -0.04 0.00 0.00 33.50 32.93 1dbm n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dbm s VAL 152 N -3.16 0.42 -0.37 0.52 1.01 -1.26 -4.50 120.40 113.05 1dbm s VAL 152 Ca 0.61 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 1dbm s VAL 152 Cb -0.02 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 36.04 1dbm s VAL 152 CO 0.42 0.12 0.19 -0.89 0.00 0.00 0.00 175.10 174.94 1dbm s THR 153 N -0.10 4.27 -0.24 3.92 2.01 0.23 -4.94 115.64 120.79 1dbm s THR 153 Ca 0.02 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 1dbm s THR 153 Cb -0.02 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 1dbm s THR 153 CO -0.00 -0.28 0.25 -0.69 -0.69 0.00 0.00 174.62 173.21 1dbm s VAL 154 N 1.48 5.29 0.17 3.82 1.01 -1.26 -1.86 120.40 129.05 1dbm s VAL 154 Ca 0.01 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.43 1dbm s VAL 154 Cb -0.20 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1dbm s VAL 154 CO 0.05 0.29 -0.17 0.28 0.00 0.00 0.00 175.10 175.55 1dbm s THR 156 N 1.32 1.75 -0.11 3.92 -1.32 -1.10 -4.96 115.64 115.14 1dbm s THR 156 Ca 0.11 -1.97 -0.00 0.00 -1.21 0.00 0.00 61.69 58.62 1dbm s THR 156 Cb -0.14 -1.86 -0.02 0.00 -1.51 0.00 0.00 72.50 68.96 1dbm s THR 156 CO 0.07 -0.40 -0.10 0.26 -2.21 0.00 0.00 174.62 172.24 1dbm s TRP 157 N -2.30 2.86 -1.49 9.09 0.52 -1.26 0.09 118.94 126.45 1dbm s TRP 157 Ca 0.17 -0.38 -0.06 0.00 0.02 0.00 0.00 56.10 55.85 1dbm s TRP 157 Cb -0.04 -1.81 0.05 0.00 -1.15 0.00 0.00 33.47 30.51 1dbm s TRP 157 CO 0.06 -0.02 0.57 0.09 0.02 0.00 0.00 176.95 177.67 1dbm n ASN 162 N 3.12 -1.50 -3.83 2.95 5.03 0.50 -2.05 115.26 119.48 1dbm n ASN 162 Ca -0.18 -0.98 -0.24 0.00 0.87 0.00 0.00 54.58 54.05 1dbm n ASN 162 Cb 0.53 -3.07 0.01 0.00 -1.02 0.00 0.00 39.78 36.23 1dbm n ASN 162 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1dbm n SER 163 N -2.89 -1.18 0.00 6.41 7.64 -1.26 -1.19 113.62 121.14 1dbm n SER 163 Ca -0.18 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1dbm n SER 163 Cb 0.62 -3.62 0.00 0.00 -1.01 0.00 0.00 64.21 60.20 1dbm n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dbm n GLY 164 N -1.73 3.22 0.27 0.23 0.00 -0.87 -4.92 105.19 101.39 1dbm n GLY 164 Ca -0.27 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.92 1dbm n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dbm h SER 165 N 0.00 0.00 -3.21 1.61 0.02 -1.06 -3.36 113.55 107.55 1dbm h SER 165 Ca 0.00 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.21 1dbm h SER 165 Cb 0.00 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.27 1dbm h SER 165 CO 0.00 0.03 -0.32 -0.76 -1.14 0.00 0.00 176.83 174.65 1dbm s LEU 166 N -6.30 5.89 0.00 5.07 1.43 -0.99 -4.96 118.68 118.83 1dbm s LEU 166 Ca 0.01 -1.84 0.00 0.00 -1.03 0.00 0.00 54.13 51.27 1dbm s LEU 166 Cb 0.09 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1dbm s LEU 166 CO 0.55 -0.76 0.00 -1.20 0.23 0.00 0.00 176.35 175.17 1dbm n SER 167 N 5.06 0.00 -4.65 2.29 7.64 -1.26 -4.47 113.62 118.24 1dbm n SER 167 Ca -0.11 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.35 1dbm n SER 167 Cb 0.41 -0.31 -0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1dbm n SER 167 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1dbm n SER 168 N -2.13 1.95 0.00 6.43 3.41 -1.26 -1.12 113.62 120.90 1dbm n SER 168 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1dbm n SER 168 Cb 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.55 1dbm n SER 168 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dbm n GLY 169 N 1.00 2.94 3.79 5.00 0.00 -1.26 -4.88 105.19 111.79 1dbm n GLY 169 Ca 0.07 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1dbm n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dbm s VAL 171 N -2.34 4.38 -0.46 1.61 0.11 -0.28 -3.13 120.40 120.30 1dbm s VAL 171 Ca 0.00 1.60 0.03 0.00 -2.93 0.00 0.00 61.98 60.68 1dbm s VAL 171 Cb 0.00 -4.01 0.14 0.00 -1.53 0.00 0.00 36.38 30.98 1dbm s VAL 171 CO 0.00 0.31 0.28 -1.00 -3.33 0.00 0.00 175.10 171.36 1dbm s HIS 172 N -1.41 1.95 -0.21 1.54 3.76 -0.11 -4.92 115.29 115.90 1dbm s HIS 172 Ca 0.42 -2.46 -0.27 0.00 -0.15 0.00 0.00 55.06 52.61 1dbm s HIS 172 Cb -0.20 -1.78 -0.00 0.00 1.11 0.00 0.00 32.58 31.71 1dbm s HIS 172 CO 0.24 -0.76 0.92 -0.08 -0.85 0.00 0.00 174.74 174.20 1dbm s THR 173 N 0.15 4.79 0.94 1.30 -1.32 -1.26 -2.79 115.64 117.46 1dbm s THR 173 Ca 0.21 1.78 -0.15 0.00 -1.21 0.00 0.00 61.69 62.31 1dbm s THR 173 Cb -0.18 -4.20 0.18 0.00 -1.51 0.00 0.00 72.50 66.79 1dbm s THR 173 CO -0.05 -0.08 1.30 -0.36 -2.21 0.00 0.00 174.62 173.22 1dbm s PHE 174 N 2.74 1.78 0.20 9.09 0.40 -0.23 -4.97 117.98 126.98 1dbm s PHE 174 Ca 0.40 0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 56.90 1dbm s PHE 174 Cb -0.16 -4.01 -0.08 0.00 0.51 0.00 0.00 43.02 39.28 1dbm s PHE 174 CO 0.09 -2.55 0.73 -2.14 0.70 0.00 0.00 175.22 172.05 1dbm s PRO 175 N -5.83 4.34 0.41 0.24 0.02 -1.26 -4.67 135.00 128.24 1dbm s PRO 175 Ca 0.72 0.94 -0.26 0.00 0.02 0.00 0.00 61.00 62.43 1dbm s PRO 175 Cb -0.05 -3.00 -0.10 0.00 0.02 0.00 0.00 34.50 31.37 1dbm s PRO 175 CO 0.52 0.46 1.27 0.00 -0.33 0.00 0.00 177.00 178.93 1dbm n ALA 176 N 1.02 1.31 -2.64 -1.55 0.00 -1.26 -4.82 120.51 112.57 1dbm n ALA 176 Ca -0.04 0.27 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 1dbm n ALA 176 Cb 0.50 -2.27 -0.12 0.00 0.00 0.00 0.00 19.45 17.56 1dbm n ALA 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dbm s VAL 177 N -1.19 1.32 0.46 0.00 1.01 -0.61 -4.92 120.40 116.47 1dbm s VAL 177 Ca 0.60 -1.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1dbm s VAL 177 Cb -0.51 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 1dbm s VAL 177 CO 0.58 -0.12 0.93 -0.76 0.00 0.00 0.00 175.10 175.73 1dbm s LEU 178 N -1.68 3.78 -0.24 3.92 1.02 -1.26 -1.22 118.68 123.00 1dbm s LEU 178 Ca 0.01 1.53 -0.03 0.00 0.02 0.00 0.00 54.13 55.67 1dbm s LEU 178 Cb -0.10 -4.43 0.11 0.00 0.02 0.00 0.00 46.19 41.80 1dbm s LEU 178 CO 0.03 -0.46 0.25 -1.10 0.02 0.00 0.00 176.35 175.08 1dbm s GLN 179 N -3.68 0.25 -0.42 1.70 -0.21 -0.39 -4.89 119.66 112.02 1dbm s GLN 179 Ca 0.59 0.07 -0.26 0.00 0.02 0.00 0.00 55.36 55.77 1dbm s GLN 179 Cb -0.10 -0.97 0.04 0.00 1.00 0.00 0.00 33.01 32.98 1dbm s GLN 179 CO 0.24 -0.80 0.58 0.45 -2.12 0.00 0.00 175.29 173.65 1dbm n SER 180 N 5.32 -6.71 0.00 5.90 2.88 -1.26 -2.73 113.62 117.01 1dbm n SER 180 Ca -0.04 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1dbm n SER 180 Cb 0.48 -3.41 0.00 0.00 -0.75 0.00 0.00 64.21 60.53 1dbm n SER 180 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1dbm n ASP 183 N -0.13 0.00 -4.58 -3.46 8.00 -1.26 -4.87 116.55 110.25 1dbm n ASP 183 Ca 0.01 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.19 1dbm n ASP 183 Cb 0.55 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.55 1dbm n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dbm s LEU 184 N 0.00 3.10 0.46 0.64 1.43 -1.11 -4.82 118.68 118.38 1dbm s LEU 184 Ca 0.00 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 1dbm s LEU 184 Cb 0.00 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 1dbm s LEU 184 CO 0.00 0.26 0.92 -0.31 0.23 0.00 0.00 176.35 177.46 1dbm s TYR 185 N -1.02 3.41 -0.01 0.29 1.51 0.88 -1.26 117.35 121.14 1dbm s TYR 185 Ca 0.18 1.43 0.04 0.00 -1.01 0.00 0.00 57.07 57.71 1dbm s TYR 185 Cb -0.11 -2.74 -0.01 0.00 -0.11 0.00 0.00 41.96 38.99 1dbm s TYR 185 CO 0.08 -0.21 -0.13 0.99 -1.11 0.00 0.00 175.55 175.16 1dbm s THR 186 N -2.40 1.06 0.01 -0.71 2.01 -0.36 -0.72 115.64 114.53 1dbm s THR 186 Ca 0.58 -0.57 -0.16 0.00 0.31 0.00 0.00 61.69 61.86 1dbm s THR 186 Cb -0.10 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.55 1dbm s THR 186 CO 0.25 0.30 0.34 -1.48 -0.69 0.00 0.00 174.62 173.33 1dbm s LEU 187 N -0.28 0.74 0.10 4.42 0.05 -0.53 -1.57 118.68 121.61 1dbm s LEU 187 Ca 0.04 0.02 0.01 0.00 0.05 0.00 0.00 54.13 54.25 1dbm s LEU 187 Cb -0.06 1.41 -0.04 0.00 -2.05 0.00 0.00 46.19 45.45 1dbm s LEU 187 CO -0.00 -0.53 -0.03 -0.94 -0.55 0.00 0.00 176.35 174.29 1dbm s SER 188 N -1.64 0.84 0.11 1.48 1.04 -1.26 -1.19 113.70 113.09 1dbm s SER 188 Ca -0.10 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.30 1dbm s SER 188 Cb -0.03 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 1dbm s SER 188 CO 0.01 -0.56 -0.08 -0.55 0.98 0.00 0.00 173.24 173.04 1dbm s SER 189 N -3.03 1.35 -0.01 7.02 0.15 -1.16 -1.07 113.70 116.95 1dbm s SER 189 Ca 0.14 -0.96 -0.01 0.00 0.70 0.00 0.00 55.95 55.82 1dbm s SER 189 Cb 0.07 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1dbm s SER 189 CO -0.04 -0.39 0.02 -0.94 1.20 0.00 0.00 173.24 173.09 1dbm s SER 190 N -2.93 -0.01 -0.02 5.45 1.04 -1.12 -2.15 113.70 113.96 1dbm s SER 190 Ca 0.11 0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.66 1dbm s SER 190 Cb 0.03 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1dbm s SER 190 CO -0.02 -0.02 -0.24 0.54 0.98 0.00 0.00 173.24 174.48 1dbm s VAL 191 N 0.11 1.91 -0.37 5.02 0.11 -0.92 -0.93 120.40 125.32 1dbm s VAL 191 Ca -0.01 -1.03 -0.09 0.00 -2.93 0.00 0.00 61.98 57.92 1dbm s VAL 191 Cb -0.01 -1.58 0.04 0.00 -1.53 0.00 0.00 36.38 33.29 1dbm s VAL 191 CO -0.00 0.54 0.18 -0.89 -3.33 0.00 0.00 175.10 171.60 1dbm s THR 192 N -0.53 4.31 0.22 5.04 2.01 -1.18 -1.19 115.64 124.32 1dbm s THR 192 Ca 0.08 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.18 1dbm s THR 192 Cb -0.10 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1dbm s THR 192 CO -0.01 -0.25 -0.03 0.68 -0.69 0.00 0.00 174.62 174.33 1dbm s VAL 193 N 1.50 3.43 0.18 3.82 -7.23 0.65 -4.84 120.40 117.91 1dbm s VAL 193 Ca 0.01 -1.73 -0.33 0.00 -1.81 0.00 0.00 61.98 58.12 1dbm s VAL 193 Cb -0.20 -2.77 -0.15 0.00 0.56 0.00 0.00 36.38 33.82 1dbm s VAL 193 CO 0.05 -0.24 1.22 -2.65 -0.31 0.00 0.00 175.10 173.18 1dbm n PRO 194 N -0.44 1.33 0.00 4.82 -0.02 -1.26 -0.33 135.00 139.09 1dbm n PRO 194 Ca -0.08 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 1dbm n PRO 194 Cb 0.57 -2.01 0.30 0.00 -0.02 0.00 0.00 33.50 32.34 1dbm n PRO 194 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dbm n SER 195 N 2.09 0.00 0.07 2.55 3.41 -1.23 -1.74 113.62 118.77 1dbm n SER 195 Ca 0.15 -0.98 -0.06 0.00 -0.26 0.00 0.00 58.87 57.71 1dbm n SER 195 Cb 0.25 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 1dbm n SER 195 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1dbm h SER 196 N 0.00 0.00 0.00 4.04 0.02 -1.90 -3.39 113.55 112.32 1dbm h SER 196 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1dbm h SER 196 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1dbm h SER 196 CO 0.00 0.96 0.00 -2.65 -1.14 0.00 0.00 176.83 174.00 1dbm n PRO 199 N -3.35 0.00 -2.86 3.45 -0.02 -0.71 -4.49 135.00 127.01 1dbm n PRO 199 Ca 0.00 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 1dbm n PRO 199 Cb 0.92 -1.35 -0.05 0.00 -0.02 0.00 0.00 33.50 33.00 1dbm n PRO 199 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1dbm s ARG 200 N -2.43 4.64 -0.14 -0.52 3.00 -1.24 0.95 118.95 123.22 1dbm s ARG 200 Ca 0.00 1.28 0.10 0.00 -1.00 0.00 0.00 55.73 56.11 1dbm s ARG 200 Cb 0.00 -3.33 0.53 0.00 0.00 0.00 0.00 34.95 32.16 1dbm s ARG 200 CO 0.00 0.38 1.34 -2.30 0.00 0.00 0.00 175.30 174.72 1dbm n PRO 202 N 2.24 3.41 0.11 5.12 -0.02 -1.26 -4.81 135.00 139.79 1dbm n PRO 202 Ca -0.02 -2.06 -0.04 0.00 -2.02 0.00 0.00 63.50 59.35 1dbm n PRO 202 Cb 0.49 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1dbm n PRO 202 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1dbm h SER 203 N 2.71 -0.25 -4.46 2.55 0.87 0.35 -3.44 113.55 111.87 1dbm h SER 203 Ca 0.00 0.01 -0.47 0.00 -1.23 0.00 0.00 61.79 60.10 1dbm h SER 203 Cb 1.38 0.06 0.10 0.00 -0.44 0.00 0.00 62.40 63.50 1dbm h SER 203 CO 0.28 -0.12 0.38 -1.61 -0.53 0.00 0.00 176.83 175.23 1dbm s GLU 204 N -2.99 2.01 0.53 2.24 0.41 0.56 -5.07 118.70 116.39 1dbm s GLU 204 Ca -0.04 0.05 -0.12 0.00 -0.41 0.00 0.00 54.97 54.44 1dbm s GLU 204 Cb 0.00 -1.99 -0.06 0.00 -1.78 0.00 0.00 34.13 30.31 1dbm s GLU 204 CO 0.13 -1.53 0.94 0.99 -0.49 0.00 0.00 175.26 175.30 1dbm s THR 205 N -3.52 4.68 -0.11 3.63 2.01 -1.26 -4.49 115.64 116.58 1dbm s THR 205 Ca 0.62 0.88 -0.03 0.00 0.31 0.00 0.00 61.69 63.46 1dbm s THR 205 Cb -0.11 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.65 1dbm s THR 205 CO 0.48 -0.84 0.06 -0.69 -0.69 0.00 0.00 174.62 172.94 1dbm s VAL 206 N -2.79 0.06 0.00 3.82 1.01 -1.26 -4.94 120.40 116.30 1dbm s VAL 206 Ca 0.55 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.64 1dbm s VAL 206 Cb -0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1dbm s VAL 206 CO 0.41 -0.03 -0.22 -0.89 0.00 0.00 0.00 175.10 174.37 1dbm s THR 207 N 2.09 2.45 -0.08 3.92 2.01 -1.26 -1.50 115.64 123.26 1dbm s THR 207 Ca 0.03 -1.11 0.04 0.00 0.31 0.00 0.00 61.69 60.97 1dbm s THR 207 Cb -0.14 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 1dbm s THR 207 CO -0.06 0.48 -0.23 0.00 -0.69 0.00 0.00 174.62 174.12 1dbm s ASN 209 N 0.10 5.42 -0.23 0.00 -0.87 0.11 -2.35 114.94 117.12 1dbm s ASN 209 Ca -0.11 -2.26 -0.14 0.00 -1.57 0.00 0.00 52.86 48.78 1dbm s ASN 209 Cb -0.16 -1.90 -0.04 0.00 -0.02 0.00 0.00 41.25 39.14 1dbm s ASN 209 CO 0.06 -0.53 0.33 0.68 -2.57 0.00 0.00 177.10 175.07 1dbm s VAL 210 N 0.82 5.23 -0.07 1.60 -7.23 -0.48 -2.70 120.40 117.56 1dbm s VAL 210 Ca 0.10 0.54 -0.01 0.00 -1.81 0.00 0.00 61.98 60.80 1dbm s VAL 210 Cb -0.22 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 1dbm s VAL 210 CO -0.03 0.25 -0.01 0.00 -0.31 0.00 0.00 175.10 175.00 1dbm s ALA 211 N 1.45 3.25 -0.36 1.32 0.00 -0.78 -0.10 121.76 126.53 1dbm s ALA 211 Ca 0.15 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1dbm s ALA 211 Cb -0.15 -1.43 0.14 0.00 0.00 0.00 0.00 23.12 21.68 1dbm s ALA 211 CO 0.08 0.59 0.21 -1.58 0.00 0.00 0.00 175.76 175.06 1dbm s HIS 212 N -0.90 0.82 0.17 0.00 2.46 -0.40 -0.60 115.29 116.84 1dbm s HIS 212 Ca 0.14 -1.68 -0.12 0.00 0.47 0.00 0.00 55.06 53.88 1dbm s HIS 212 Cb -0.11 -0.99 0.08 0.00 -0.13 0.00 0.00 32.58 31.42 1dbm s HIS 212 CO 0.03 -0.83 1.73 -1.35 -2.47 0.00 0.00 174.74 171.85 1dbm h PRO 213 N 7.01 0.92 -1.54 2.88 0.11 -1.81 -1.96 132.00 137.61 1dbm h PRO 213 Ca 0.05 -0.17 0.48 0.00 0.11 0.00 0.00 66.00 66.46 1dbm h PRO 213 Cb 0.97 -0.15 -0.10 0.00 0.11 0.00 0.00 31.00 31.83 1dbm h PRO 213 CO 0.28 0.79 1.06 0.00 -0.21 0.00 0.00 178.00 179.92 1dbm h ALA 214 N 1.08 3.18 -0.08 -0.75 0.00 -1.93 0.15 119.26 120.91 1dbm h ALA 214 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1dbm h ALA 214 Cb 0.22 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dbm h ALA 214 CO -0.01 -1.76 0.00 -1.13 0.00 0.00 0.00 179.25 176.34 1dbm n SER 215 N -4.37 1.93 -3.66 0.00 3.41 -0.76 -5.02 113.62 105.14 1dbm n SER 215 Ca 0.39 -1.58 -0.21 0.00 -0.26 0.00 0.00 58.87 57.20 1dbm n SER 215 Cb 1.62 -0.05 0.04 0.00 -0.26 0.00 0.00 64.21 65.56 1dbm n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1dbm n SER 216 N 0.19 -1.69 -4.32 4.04 7.64 0.52 -5.01 113.62 114.98 1dbm n SER 216 Ca 0.05 -0.82 -0.30 0.00 1.01 0.00 0.00 58.87 58.81 1dbm n SER 216 Cb 0.23 -4.12 -0.15 0.00 -1.01 0.00 0.00 64.21 59.16 1dbm n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1dbm s THR 217 N -3.63 2.08 -0.03 0.44 2.01 -1.24 -5.04 115.64 110.22 1dbm s THR 217 Ca 0.05 -1.26 -0.01 0.00 0.31 0.00 0.00 61.69 60.78 1dbm s THR 217 Cb -0.01 -1.75 0.03 0.00 0.01 0.00 0.00 72.50 70.77 1dbm s THR 217 CO 0.81 0.45 0.06 -0.75 -0.69 0.00 0.00 174.62 174.49 1dbm s LYS 218 N -0.97 -0.02 -0.19 4.92 2.20 -1.26 -1.27 119.74 123.14 1dbm s LYS 218 Ca 0.11 0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.95 1dbm s LYS 218 Cb -0.10 -0.25 0.05 0.00 -1.51 0.00 0.00 37.83 36.02 1dbm s LYS 218 CO 0.01 -0.18 -0.03 0.08 -0.36 0.00 0.00 175.35 174.87 1dbm s VAL 219 N 1.18 1.09 0.07 4.02 1.01 0.85 -4.96 120.40 123.66 1dbm s VAL 219 Ca -0.08 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 1dbm s VAL 219 Cb -0.13 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 1dbm s VAL 219 CO -0.04 -0.03 0.54 -1.81 0.00 0.00 0.00 175.10 173.76 1dbm s ASP 220 N 1.61 7.01 -0.08 3.32 1.11 -1.26 -1.39 116.67 127.00 1dbm s ASP 220 Ca -0.02 1.20 -0.02 0.00 0.18 0.00 0.00 52.55 53.90 1dbm s ASP 220 Cb -0.17 -2.34 0.03 0.00 1.07 0.00 0.00 42.92 41.51 1dbm s ASP 220 CO -0.07 0.27 0.01 -0.75 1.18 0.00 0.00 175.17 175.81 1dbm s LYS 221 N -1.17 0.57 -0.04 8.23 2.47 -0.99 -5.00 119.74 123.81 1dbm s LYS 221 Ca 0.29 0.09 -0.14 0.00 -1.56 0.00 0.00 55.97 54.65 1dbm s LYS 221 Cb -0.19 -1.03 -0.05 0.00 -1.46 0.00 0.00 37.83 35.10 1dbm s LYS 221 CO 0.18 -0.33 0.36 0.15 0.16 0.00 0.00 175.35 175.87 1dbm s LYS 222 N 1.98 3.88 0.01 4.03 3.01 -1.26 -1.85 119.74 129.54 1dbm s LYS 222 Ca 0.05 0.30 -0.21 0.00 -1.01 0.00 0.00 55.97 55.10 1dbm s LYS 222 Cb -0.13 -3.24 -0.05 0.00 -1.01 0.00 0.00 37.83 33.40 1dbm s LYS 222 CO -0.05 0.65 0.60 0.42 0.51 0.00 0.00 175.35 177.48 1dbm s ILE 223 N -0.88 4.88 -0.01 2.17 -1.09 -0.56 -4.98 121.20 120.72 1dbm s ILE 223 Ca 0.22 1.26 -0.04 0.00 -2.23 0.00 0.00 60.65 59.86 1dbm s ILE 223 Cb -0.16 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 1dbm s ILE 223 CO 0.11 0.43 0.09 0.54 -1.23 0.00 0.00 174.94 174.88 1dbm s VAL 226 N -0.27 0.06 0.48 2.92 0.11 -1.26 -4.47 120.40 117.97 1dbm s VAL 226 Ca 0.31 -0.46 -0.22 0.00 -2.93 0.00 0.00 61.98 58.68 1dbm s VAL 226 Cb -0.18 -0.29 -0.09 0.00 -1.53 0.00 0.00 36.38 34.28 1dbm s VAL 226 CO 0.18 -0.25 0.90 -2.65 -3.33 0.00 0.00 175.10 169.95 1dbm n PRO 227 N 2.10 1.09 0.00 1.54 -0.02 -1.26 -4.88 135.00 133.57 1dbm n PRO 227 Ca -0.19 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1dbm n PRO 227 Cb 0.57 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1dbm n PRO 227 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35