#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ton s VAL 17 N 0.00 5.33 -1.01 1.39 1.01 0.05 -3.67 120.40 123.49 1ton s VAL 17 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1ton s VAL 17 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1ton s VAL 17 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1ton n GLY 18 N 3.18 1.08 0.00 4.51 0.00 -1.21 -2.29 105.19 110.46 1ton n GLY 18 Ca -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1ton n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ton n GLY 19 N -1.78 2.72 3.48 -0.02 0.00 -1.26 -4.84 105.19 103.49 1ton n GLY 19 Ca -0.10 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 43.57 1ton n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ton s TYR 20 N 0.71 1.96 0.02 1.61 1.13 0.25 -4.90 117.35 118.13 1ton s TYR 20 Ca 0.00 -0.99 -0.30 0.00 -1.41 0.00 0.00 57.07 54.36 1ton s TYR 20 Cb 0.00 -1.30 -0.06 0.00 -1.10 0.00 0.00 41.96 39.51 1ton s TYR 20 CO 0.00 -0.01 1.34 0.15 -2.51 0.00 0.00 175.55 174.51 1ton s LYS 21 N -3.86 4.33 0.55 -3.49 1.02 -1.26 0.15 119.74 117.18 1ton s LYS 21 Ca 0.34 1.91 -0.20 0.00 0.02 0.00 0.00 55.97 58.04 1ton s LYS 21 Cb 0.08 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 1ton s LYS 21 CO 0.15 -0.47 1.18 0.00 -0.92 0.00 0.00 175.35 175.29 1ton s GLU 23 N -3.21 3.26 0.11 0.00 8.01 -1.26 -4.86 118.70 120.75 1ton s GLU 23 Ca 0.74 1.70 -0.35 0.00 0.01 0.00 0.00 54.97 57.07 1ton s GLU 23 Cb -0.28 -2.01 -0.15 0.00 -4.31 0.00 0.00 34.13 27.38 1ton s GLU 23 CO 0.32 -0.94 1.54 1.63 0.01 0.00 0.00 175.26 177.81 1ton n LYS 24 N -1.33 1.84 -4.05 1.61 5.02 -1.26 -1.99 118.16 118.00 1ton n LYS 24 Ca 0.12 0.66 -0.30 0.00 -2.02 0.00 0.00 58.31 56.77 1ton n LYS 24 Cb 0.50 -2.40 -0.02 0.00 -0.02 0.00 0.00 35.03 33.09 1ton n LYS 24 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ton n ASN 25 N 3.47 -1.90 -0.06 4.39 3.02 -1.26 -4.84 115.26 118.07 1ton n ASN 25 Ca 0.18 -0.99 0.10 0.00 -0.03 0.00 0.00 54.58 53.85 1ton n ASN 25 Cb 0.26 -3.03 -0.11 0.00 -0.61 0.00 0.00 39.78 36.29 1ton n ASN 25 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ton n SER 26 N -2.85 1.12 -3.14 6.41 3.41 -0.84 -4.49 113.62 113.24 1ton n SER 26 Ca -0.13 -1.06 -0.24 0.00 -0.26 0.00 0.00 58.87 57.18 1ton n SER 26 Cb 0.60 0.94 -0.05 0.00 -0.26 0.00 0.00 64.21 65.44 1ton n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ton n GLN 27 N -1.33 2.04 0.33 4.33 1.13 -1.26 -4.96 117.38 117.66 1ton n GLN 27 Ca 0.05 -4.12 0.21 0.00 -1.94 0.00 0.00 57.00 51.19 1ton n GLN 27 Cb 0.35 -1.93 1.10 0.00 0.11 0.00 0.00 30.24 29.87 1ton n GLN 27 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1ton h PRO 28 N 3.33 0.00 -0.00 -1.09 0.13 -1.79 0.39 132.00 132.97 1ton h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ton h PRO 28 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1ton h PRO 28 CO 0.67 0.00 -0.35 -2.67 -0.23 0.00 0.00 178.00 175.42 1ton n TRP 29 N -2.98 0.00 -2.47 1.56 2.14 -1.15 -2.75 117.44 111.79 1ton n TRP 29 Ca -0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.12 1ton n TRP 29 Cb 0.13 -0.19 -0.03 0.00 -0.81 0.00 0.00 31.31 30.42 1ton n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ton s GLN 30 N -2.72 4.43 0.30 -2.67 2.00 0.13 -0.65 119.66 120.48 1ton s GLN 30 Ca 0.19 1.70 0.09 0.00 -2.00 0.00 0.00 55.36 55.33 1ton s GLN 30 Cb 0.19 -3.42 -0.06 0.00 0.80 0.00 0.00 33.01 30.52 1ton s GLN 30 CO 0.59 -0.28 -0.10 0.14 -0.50 0.00 0.00 175.29 175.15 1ton s VAL 31 N 1.35 2.00 -0.17 1.34 -7.23 -0.76 -4.48 120.40 112.45 1ton s VAL 31 Ca 0.57 -2.20 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1ton s VAL 31 Cb -0.27 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 1ton s VAL 31 CO 0.27 -0.29 -0.05 0.00 -0.31 0.00 0.00 175.10 174.73 1ton s ALA 32 N -2.78 2.90 -0.26 1.32 0.00 0.59 -2.29 121.76 121.25 1ton s ALA 32 Ca 0.30 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1ton s ALA 32 Cb 0.02 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 1ton s ALA 32 CO 0.14 0.01 0.06 0.08 0.00 0.00 0.00 175.76 176.06 1ton s VAL 33 N 0.72 4.19 -0.03 0.00 1.01 -0.33 -0.57 120.40 125.39 1ton s VAL 33 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1ton s VAL 33 Cb -0.15 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1ton s VAL 33 CO 0.02 0.30 -0.14 -0.63 0.00 0.00 0.00 175.10 174.65 1ton s ILE 34 N 1.59 1.18 0.00 2.22 1.01 -0.32 -1.04 121.20 125.83 1ton s ILE 34 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1ton s ILE 34 Cb -0.15 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1ton s ILE 34 CO 0.03 0.35 0.00 -0.46 0.00 0.00 0.00 174.94 174.86 1ton n ASN 35 N 3.18 1.73 0.00 3.58 0.23 -1.26 -0.40 115.26 122.31 1ton n ASN 35 Ca -0.18 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.02 1ton n ASN 35 Cb 0.53 0.00 0.88 0.00 -2.08 0.00 0.00 39.78 39.11 1ton n ASN 35 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1ton n GLU 39 N 0.00 0.88 -4.32 -3.83 0.00 -1.26 -4.74 120.64 107.37 1ton n GLU 39 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.93 1ton n GLU 39 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 29.82 1ton n GLU 39 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1ton s TYR 40 N -2.07 1.84 -0.16 -1.84 2.02 -1.26 -5.12 117.35 110.76 1ton s TYR 40 Ca 0.43 -0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 56.58 1ton s TYR 40 Cb 0.21 -0.95 -0.05 0.00 -0.40 0.00 0.00 41.96 40.76 1ton s TYR 40 CO 0.36 0.29 0.20 -1.17 -1.57 0.00 0.00 175.55 173.66 1ton s LEU 41 N -2.36 4.27 0.13 -1.29 2.96 -1.26 -4.33 118.68 116.79 1ton s LEU 41 Ca 0.12 0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 54.39 1ton s LEU 41 Cb -0.08 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 1ton s LEU 41 CO 0.06 0.21 0.13 0.00 -1.32 0.00 0.00 176.35 175.43 1ton s GLY 43 N -2.99 1.88 0.24 0.00 0.00 0.43 -1.19 107.32 105.68 1ton s GLY 43 Ca 0.18 -1.64 -0.19 0.00 0.00 0.00 0.00 44.72 43.07 1ton s GLY 43 CO -0.01 -1.38 0.63 -0.32 0.00 0.00 0.00 173.10 172.02 1ton s GLY 44 N -4.43 -0.06 -0.04 0.20 0.00 -0.97 -3.79 107.32 98.23 1ton s GLY 44 Ca 0.57 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.00 1ton s GLY 44 CO 0.36 -0.17 0.06 0.14 0.00 0.00 0.00 173.10 173.48 1ton s VAL 45 N -3.90 -0.08 -0.31 1.40 1.01 0.71 -1.82 120.40 117.40 1ton s VAL 45 Ca 0.11 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1ton s VAL 45 Cb -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.23 1ton s VAL 45 CO 0.03 0.11 1.10 -0.22 0.00 0.00 0.00 175.10 176.12 1ton s LEU 46 N 1.39 3.94 0.00 3.92 2.96 0.18 -1.06 118.68 130.01 1ton s LEU 46 Ca -0.05 1.09 0.06 0.00 -0.22 0.00 0.00 54.13 55.01 1ton s LEU 46 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1ton s LEU 46 CO -0.04 -0.89 0.32 2.30 -1.32 0.00 0.00 176.35 176.72 1ton n ILE 47 N 5.87 0.00 -3.55 6.68 -5.35 -0.87 -0.96 119.36 121.18 1ton n ILE 47 Ca 0.12 -0.37 -0.14 0.00 -0.27 0.00 0.00 62.75 62.10 1ton n ILE 47 Cb 0.47 1.02 -0.05 0.00 -1.74 0.00 0.00 39.64 39.33 1ton n ILE 47 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ton s ASP 48 N -1.49 -0.50 0.56 7.28 -1.08 -1.14 -4.71 116.67 115.60 1ton s ASP 48 Ca 0.03 0.53 0.33 0.00 -0.52 0.00 0.00 52.55 52.92 1ton s ASP 48 Cb 0.05 0.41 1.47 0.00 -1.46 0.00 0.00 42.92 43.39 1ton s ASP 48 CO 0.24 -0.47 1.81 -0.65 0.52 0.00 0.00 175.17 176.61 1ton h PRO 49 N 2.73 0.00 -0.02 4.34 0.11 -1.94 -1.45 132.00 135.78 1ton h PRO 49 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1ton h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ton h PRO 49 CO 0.35 0.00 -0.09 0.43 -0.21 0.00 0.00 178.00 178.48 1ton n SER 50 N -3.99 1.96 -4.07 -2.05 7.64 -1.26 -0.44 113.62 111.41 1ton n SER 50 Ca 0.19 -1.48 -0.20 0.00 1.01 0.00 0.00 58.87 58.39 1ton n SER 50 Cb 1.05 0.15 -0.15 0.00 -1.01 0.00 0.00 64.21 64.25 1ton n SER 50 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ton s TRP 51 N -1.33 1.03 -0.07 1.43 0.52 -0.55 -0.54 118.94 119.43 1ton s TRP 51 Ca 0.15 -0.21 0.02 0.00 0.02 0.00 0.00 56.10 56.08 1ton s TRP 51 Cb 0.12 -0.66 0.01 0.00 -1.15 0.00 0.00 33.47 31.79 1ton s TRP 51 CO 0.23 -0.01 -0.14 0.08 0.02 0.00 0.00 176.95 177.13 1ton s VAL 52 N -0.34 1.26 -0.06 4.03 1.01 0.00 -2.06 120.40 124.25 1ton s VAL 52 Ca 0.04 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1ton s VAL 52 Cb -0.05 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1ton s VAL 52 CO -0.00 0.38 0.19 -0.51 0.00 0.00 0.00 175.10 175.16 1ton s ILE 53 N 0.62 5.43 0.24 2.22 2.07 -0.22 -0.65 121.20 130.91 1ton s ILE 53 Ca -0.15 0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.16 1ton s ILE 53 Cb -0.16 -3.49 0.02 0.00 0.13 0.00 0.00 42.46 38.96 1ton s ILE 53 CO 0.04 0.48 0.39 1.07 -1.91 0.00 0.00 174.94 175.01 1ton n THR 54 N 1.48 0.00 -3.29 4.00 5.66 -0.32 -0.21 114.28 121.61 1ton n THR 54 Ca -0.15 -0.96 -0.33 0.00 -3.05 0.00 0.00 64.05 59.56 1ton n THR 54 Cb 0.54 0.68 -0.06 0.00 -1.55 0.00 0.00 70.33 69.94 1ton n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ton s ALA 55 N -2.10 3.47 0.41 1.79 0.00 -1.26 -0.67 121.76 123.39 1ton s ALA 55 Ca 0.16 -0.11 0.19 0.00 0.00 0.00 0.00 51.96 52.20 1ton s ALA 55 Cb -0.02 -2.59 1.11 0.00 0.00 0.00 0.00 23.12 21.62 1ton s ALA 55 CO 0.11 0.43 1.98 0.00 0.00 0.00 0.00 175.76 178.28 1ton h ALA 56 N 2.60 1.44 -0.29 0.00 0.00 -1.72 -2.70 119.26 118.59 1ton h ALA 56 Ca -0.47 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.34 1ton h ALA 56 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1ton h ALA 56 CO 0.67 0.25 0.28 0.45 0.00 0.00 0.00 179.25 180.90 1ton h HIS 57 N 0.00 0.00 -0.28 0.00 3.86 -1.93 -0.95 115.15 115.85 1ton h HIS 57 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ton h HIS 57 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1ton h HIS 57 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1ton s TYR 59 N -1.63 2.81 0.24 0.00 6.14 -0.36 -4.96 117.35 119.58 1ton s TYR 59 Ca 0.21 0.87 -0.22 0.00 0.64 0.00 0.00 57.07 58.57 1ton s TYR 59 Cb 0.11 -4.00 0.04 0.00 0.42 0.00 0.00 41.96 38.53 1ton s TYR 59 CO 0.15 -3.30 0.75 0.45 0.64 0.00 0.00 175.55 174.23 1ton s SER 60 N 0.41 -0.29 0.12 4.32 0.15 -1.26 -5.04 113.70 112.11 1ton s SER 60 Ca 0.61 -0.48 -0.15 0.00 0.70 0.00 0.00 55.95 56.64 1ton s SER 60 Cb -0.46 0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1ton s SER 60 CO 0.48 -1.21 1.52 -0.55 1.20 0.00 0.00 173.24 174.68 1ton h ASN 61 N 2.00 0.72 -2.99 5.45 7.08 -2.02 -3.46 115.58 122.36 1ton h ASN 61 Ca -0.22 -0.36 -0.49 0.00 -3.08 0.00 0.00 56.30 52.15 1ton h ASN 61 Cb 1.25 -0.20 -0.14 0.00 -2.08 0.00 0.00 38.32 37.16 1ton h ASN 61 CO 0.26 0.92 -0.63 0.54 -2.08 0.00 0.00 177.43 176.43 1ton s ASN 63 N -6.33 2.64 0.12 6.14 4.22 -1.26 -5.09 114.94 115.39 1ton s ASN 63 Ca -0.13 -1.31 -0.16 0.00 -2.14 0.00 0.00 52.86 49.12 1ton s ASN 63 Cb 0.10 -0.14 0.03 0.00 1.28 0.00 0.00 41.25 42.52 1ton s ASN 63 CO 0.81 -0.51 0.38 -0.31 -2.04 0.00 0.00 177.10 175.43 1ton s TYR 64 N -3.15 -0.18 -0.07 1.54 2.02 -1.26 -4.51 117.35 111.74 1ton s TYR 64 Ca 0.34 -0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.91 1ton s TYR 64 Cb 0.07 0.23 0.02 0.00 -0.40 0.00 0.00 41.96 41.88 1ton s TYR 64 CO 0.14 -0.68 -0.05 -0.65 -1.57 0.00 0.00 175.55 172.75 1ton s GLN 65 N -3.71 1.05 -0.21 -0.62 -1.52 0.46 -4.47 119.66 110.64 1ton s GLN 65 Ca 0.02 -0.11 -0.06 0.00 -1.95 0.00 0.00 55.36 53.26 1ton s GLN 65 Cb 0.02 -1.16 -0.03 0.00 -0.22 0.00 0.00 33.01 31.62 1ton s GLN 65 CO -0.11 -0.19 0.04 0.08 -0.25 0.00 0.00 175.29 174.85 1ton s VAL 66 N 1.46 4.28 -0.24 1.09 1.01 0.85 -1.18 120.40 127.67 1ton s VAL 66 Ca -0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1ton s VAL 66 Cb -0.13 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1ton s VAL 66 CO -0.04 0.40 0.10 -0.76 0.00 0.00 0.00 175.10 174.81 1ton s LEU 67 N 1.06 3.75 0.25 3.92 1.43 0.27 0.24 118.68 129.60 1ton s LEU 67 Ca 0.03 -0.05 0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1ton s LEU 67 Cb -0.14 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1ton s LEU 67 CO 0.02 0.03 -0.19 -0.76 0.23 0.00 0.00 176.35 175.69 1ton s LEU 68 N 1.22 2.57 -1.29 1.79 1.02 0.24 -0.30 118.68 123.92 1ton s LEU 68 Ca 0.06 -1.01 0.00 0.00 0.02 0.00 0.00 54.13 53.19 1ton s LEU 68 Cb -0.14 -1.00 0.00 0.00 0.02 0.00 0.00 46.19 45.06 1ton s LEU 68 CO 0.04 -0.00 0.00 0.61 0.02 0.00 0.00 176.35 177.02 1ton n GLY 69 N -0.49 -0.04 3.56 -3.19 0.00 -1.26 -0.29 105.19 103.48 1ton n GLY 69 Ca -0.06 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1ton n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ton s ARG 70 N -4.57 2.02 -0.03 1.61 0.52 -1.26 -3.30 118.95 113.95 1ton s ARG 70 Ca 0.00 -1.17 -0.06 0.00 -0.52 0.00 0.00 55.73 53.98 1ton s ARG 70 Cb 0.00 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 1ton s ARG 70 CO 0.00 0.47 -0.12 0.09 0.02 0.00 0.00 175.30 175.75 1ton n ASN 71 N 0.42 1.19 -4.59 0.23 3.02 -1.26 -4.90 115.26 109.36 1ton n ASN 71 Ca -0.13 0.18 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 1ton n ASN 71 Cb 0.54 -0.42 -0.11 0.00 -0.61 0.00 0.00 39.78 39.18 1ton n ASN 71 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ton s ASN 72 N -5.94 6.03 0.49 6.41 3.84 -1.26 -0.34 114.94 124.17 1ton s ASN 72 Ca -0.11 -0.04 0.20 0.00 0.21 0.00 0.00 52.86 53.12 1ton s ASN 72 Cb 0.03 -2.12 1.25 0.00 -0.55 0.00 0.00 41.25 39.85 1ton s ASN 72 CO 0.16 -0.07 2.06 -0.07 -2.79 0.00 0.00 177.10 176.39 1ton h LEU 73 N 8.38 0.00 -4.27 3.21 3.38 -0.92 -3.09 115.31 122.01 1ton h LEU 73 Ca -0.35 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.01 1ton h LEU 73 Cb 1.19 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.55 1ton h LEU 73 CO 0.56 0.13 -0.30 0.49 0.09 0.00 0.00 178.44 179.41 1ton n PHE 74 N -4.08 3.11 -4.15 1.13 3.01 -1.26 -5.04 117.46 110.17 1ton n PHE 74 Ca -0.02 -2.69 -0.11 0.00 1.01 0.00 0.00 57.45 55.63 1ton n PHE 74 Cb 0.21 -0.50 -0.10 0.00 -0.01 0.00 0.00 39.48 39.08 1ton n PHE 74 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1ton s LYS 75 N -3.67 0.78 -0.70 -1.08 1.02 -1.17 -5.09 119.74 109.82 1ton s LYS 75 Ca 0.52 -1.23 -0.23 0.00 0.02 0.00 0.00 55.97 55.05 1ton s LYS 75 Cb 0.42 -0.22 0.07 0.00 -0.52 0.00 0.00 37.83 37.58 1ton s LYS 75 CO -0.13 -0.00 1.05 0.34 -0.92 0.00 0.00 175.35 175.69 1ton s ASP 77 N -2.77 6.21 0.04 2.83 -1.08 -1.26 -4.98 116.67 115.65 1ton s ASP 77 Ca 0.08 -0.97 0.04 0.00 -0.52 0.00 0.00 52.55 51.17 1ton s ASP 77 Cb 0.02 -2.45 -0.04 0.00 -1.46 0.00 0.00 42.92 39.00 1ton s ASP 77 CO -0.04 -1.49 -0.04 -1.61 0.52 0.00 0.00 175.17 172.51 1ton s GLU 78 N 4.31 2.56 0.16 4.34 2.02 -1.26 -5.06 118.70 125.76 1ton s GLU 78 Ca 0.26 -0.76 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 1ton s GLU 78 Cb -0.14 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.57 1ton s GLU 78 CO 0.09 0.58 1.45 -1.00 0.02 0.00 0.00 175.26 176.40 1ton h PRO 79 N 4.06 0.69 -0.33 0.39 0.13 -1.94 -3.04 132.00 131.96 1ton h PRO 79 Ca -0.48 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1ton h PRO 79 Cb 1.17 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ton h PRO 79 CO 0.56 1.08 0.00 1.19 -0.23 0.00 0.00 178.00 180.60 1ton n PHE 79 N -3.97 0.44 -1.69 1.56 3.01 -1.26 -4.95 117.46 110.60 1ton n PHE 79 Ca -0.04 -0.22 -0.44 0.00 1.01 0.00 0.00 57.45 57.76 1ton n PHE 79 Cb 0.63 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.07 1ton n PHE 79 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ton n ALA 80 N 0.81 1.79 -2.59 4.37 0.00 -1.15 -4.14 120.51 119.60 1ton n ALA 80 Ca 0.17 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.92 1ton n ALA 80 Cb 0.42 -2.38 -0.11 0.00 0.00 0.00 0.00 19.45 17.38 1ton n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ton s GLN 81 N 0.20 0.56 -0.03 0.00 -0.21 0.61 -4.97 119.66 115.80 1ton s GLN 81 Ca 0.71 -0.94 0.01 0.00 0.02 0.00 0.00 55.36 55.17 1ton s GLN 81 Cb -0.60 -0.07 0.02 0.00 1.00 0.00 0.00 33.01 33.36 1ton s GLN 81 CO 0.43 -0.02 -0.04 -0.98 -2.12 0.00 0.00 175.29 172.56 1ton s ARG 82 N -2.50 0.70 0.17 2.91 1.04 -1.26 -0.60 118.95 119.42 1ton s ARG 82 Ca -0.03 -0.10 0.09 0.00 -1.04 0.00 0.00 55.73 54.64 1ton s ARG 82 Cb -0.03 -0.72 -0.04 0.00 -2.04 0.00 0.00 34.95 32.11 1ton s ARG 82 CO -0.03 -0.05 -0.18 1.03 -0.04 0.00 0.00 175.30 176.03 1ton s ARG 83 N 0.74 1.30 0.31 3.89 1.81 0.14 -4.95 118.95 122.19 1ton s ARG 83 Ca -0.09 -1.44 0.06 0.00 -1.72 0.00 0.00 55.73 52.54 1ton s ARG 83 Cb -0.12 -1.34 -0.02 0.00 -0.45 0.00 0.00 34.95 33.02 1ton s ARG 83 CO -0.00 0.27 0.41 -0.51 -0.68 0.00 0.00 175.30 174.79 1ton s LEU 84 N -2.76 4.00 -0.06 2.53 1.43 -1.26 -0.10 118.68 122.46 1ton s LEU 84 Ca 0.17 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1ton s LEU 84 Cb -0.05 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1ton s LEU 84 CO 0.07 -0.32 0.02 -0.69 0.23 0.00 0.00 176.35 175.66 1ton s VAL 85 N -2.14 4.39 -0.21 -1.59 1.01 -1.26 0.35 120.40 120.95 1ton s VAL 85 Ca 0.41 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1ton s VAL 85 Cb -0.09 -2.89 -0.21 0.00 0.00 0.00 0.00 36.38 33.19 1ton s VAL 85 CO 0.30 0.53 -0.00 0.54 0.00 0.00 0.00 175.10 176.47 1ton n ARG 86 N 1.88 0.68 -3.61 2.72 1.74 0.12 -4.65 116.66 115.54 1ton n ARG 86 Ca -0.17 0.14 -0.15 0.00 -0.77 0.00 0.00 57.85 56.90 1ton n ARG 86 Cb 0.53 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 1ton n ARG 86 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ton s GLN 87 N -2.52 0.87 0.04 5.56 -1.52 -1.19 -5.05 119.66 115.85 1ton s GLN 87 Ca -0.25 0.85 0.09 0.00 -1.95 0.00 0.00 55.36 54.10 1ton s GLN 87 Cb 0.08 0.42 -0.03 0.00 -0.22 0.00 0.00 33.01 33.26 1ton s GLN 87 CO 0.70 -0.14 -0.25 -1.54 -0.25 0.00 0.00 175.29 173.81 1ton s SER 88 N 0.08 3.26 -0.24 5.90 1.04 -1.26 -0.84 113.70 121.64 1ton s SER 88 Ca -0.02 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 1ton s SER 88 Cb -0.04 -0.33 0.07 0.00 0.10 0.00 0.00 66.02 65.82 1ton s SER 88 CO 0.02 0.26 0.05 -0.36 0.98 0.00 0.00 173.24 174.19 1ton s PHE 89 N -0.82 1.33 0.22 5.02 0.40 0.57 -4.98 117.98 119.72 1ton s PHE 89 Ca 0.12 -1.20 -0.20 0.00 -0.60 0.00 0.00 56.93 55.06 1ton s PHE 89 Cb -0.10 -1.27 -0.08 0.00 0.51 0.00 0.00 43.02 42.08 1ton s PHE 89 CO 0.02 -0.71 0.72 0.50 0.70 0.00 0.00 175.22 176.46 1ton s ARG 90 N 1.75 4.25 0.34 0.44 3.52 -1.26 0.41 118.95 128.40 1ton s ARG 90 Ca 0.02 0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 56.19 1ton s ARG 90 Cb -0.17 -2.87 -0.11 0.00 -1.56 0.00 0.00 34.95 30.23 1ton s ARG 90 CO -0.14 0.39 1.53 1.58 -0.81 0.00 0.00 175.30 177.85 1ton n HIS 91 N 0.70 2.90 -0.29 5.12 -0.00 0.85 -4.86 115.22 119.64 1ton n HIS 91 Ca -0.02 0.37 0.21 0.00 -0.00 0.00 0.00 57.72 58.28 1ton n HIS 91 Cb 0.51 -2.56 0.52 0.00 -0.00 0.00 0.00 29.99 28.46 1ton n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ton h PRO 92 N 3.75 0.38 -0.01 1.57 0.13 -1.91 -2.44 132.00 133.48 1ton h PRO 92 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ton h PRO 92 Cb 1.24 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ton h PRO 92 CO 0.71 0.25 -0.10 -0.25 -0.23 0.00 0.00 178.00 178.38 1ton n ASP 93 N -4.55 1.41 -4.72 1.44 9.92 -1.26 -4.88 116.55 113.90 1ton n ASP 93 Ca 0.23 -1.31 -0.42 0.00 -0.53 0.00 0.00 54.79 52.76 1ton n ASP 93 Cb 0.81 0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 41.31 1ton n ASP 93 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1ton s TYR 94 N -2.18 3.32 -0.36 1.24 6.14 -0.92 -4.85 117.35 119.73 1ton s TYR 94 Ca 0.32 1.16 -0.10 0.00 0.64 0.00 0.00 57.07 59.10 1ton s TYR 94 Cb 0.20 -3.57 0.03 0.00 0.42 0.00 0.00 41.96 39.04 1ton s TYR 94 CO 0.40 -1.85 0.18 0.42 0.64 0.00 0.00 175.55 175.34 1ton s ILE 95 N 0.71 4.36 0.60 3.14 1.01 -1.26 -5.00 121.20 124.76 1ton s ILE 95 Ca 0.60 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 60.14 1ton s ILE 95 Cb -0.34 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1ton s ILE 95 CO 0.33 -0.21 1.27 -2.84 0.00 0.00 0.00 174.94 173.48 1ton s PRO 95 N 1.52 2.85 -0.36 2.79 0.02 -1.26 -4.00 135.00 136.55 1ton s PRO 95 Ca 0.01 1.99 -0.29 0.00 0.02 0.00 0.00 61.00 62.73 1ton s PRO 95 Cb -0.19 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 1ton s PRO 95 CO 0.06 -1.35 1.65 -1.17 -0.33 0.00 0.00 177.00 175.86 1ton s LEU 95 N -4.08 3.54 0.00 -5.54 2.96 -1.26 -4.47 118.68 109.83 1ton s LEU 95 Ca 0.78 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1ton s LEU 95 Cb -0.35 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.81 1ton s LEU 95 CO 0.38 -1.59 0.00 2.30 -1.32 0.00 0.00 176.35 176.11 1ton n ILE 95 N 7.28 0.00 -4.37 6.68 -6.64 -1.26 -5.13 119.36 115.92 1ton n ILE 95 Ca 0.20 0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 60.88 1ton n ILE 95 Cb 0.47 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.51 1ton n ILE 95 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1ton s PRO 95 N 0.00 2.60 -0.21 6.28 0.04 -1.26 -5.61 135.00 136.84 1ton s PRO 95 Ca 0.00 -0.69 -0.29 0.00 0.04 0.00 0.00 61.00 60.06 1ton s PRO 95 Cb 0.00 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1ton s PRO 95 CO 0.00 -0.11 1.15 0.14 0.04 0.00 0.00 177.00 178.22 1ton s VAL 96 N 1.09 4.47 0.23 -0.36 -7.23 -1.26 -4.96 120.40 112.39 1ton s VAL 96 Ca -0.02 1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 61.61 1ton s VAL 96 Cb -0.14 -4.17 -0.10 0.00 0.56 0.00 0.00 36.38 32.53 1ton s VAL 96 CO -0.05 -0.18 1.46 -2.28 -0.31 0.00 0.00 175.10 173.73 1ton s HIS 97 N 3.40 3.03 0.32 2.82 2.46 -1.26 -4.93 115.29 121.13 1ton s HIS 97 Ca 0.49 0.97 0.06 0.00 0.47 0.00 0.00 55.06 57.05 1ton s HIS 97 Cb -0.18 -3.83 -0.02 0.00 -0.13 0.00 0.00 32.58 28.42 1ton s HIS 97 CO 0.11 -2.76 0.30 -0.40 -2.47 0.00 0.00 174.74 169.52 1ton n ASP 98 N 2.60 -0.78 -1.43 9.88 5.68 -1.26 -5.03 116.55 126.21 1ton n ASP 98 Ca 0.08 -3.04 0.09 0.00 -0.50 0.00 0.00 54.79 51.42 1ton n ASP 98 Cb 0.40 1.74 0.33 0.00 -1.14 0.00 0.00 41.12 42.45 1ton n ASP 98 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1ton n HIS 99 N -0.59 1.28 -2.68 2.11 8.25 -1.26 -4.74 115.22 117.59 1ton n HIS 99 Ca 0.06 -0.60 -0.38 0.00 -0.26 0.00 0.00 57.72 56.55 1ton n HIS 99 Cb 0.57 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 1ton n HIS 99 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ton s SER 100 N -1.00 7.22 -1.45 0.41 1.04 -1.26 -3.54 113.70 115.12 1ton s SER 100 Ca 0.48 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.86 1ton s SER 100 Cb 0.30 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1ton s SER 100 CO 0.24 -0.16 0.00 0.59 0.98 0.00 0.00 173.24 174.89 1ton n ASN 101 N 0.58 -4.72 -4.05 7.02 3.02 -1.26 -4.66 115.26 111.20 1ton n ASN 101 Ca 0.02 0.15 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 1ton n ASN 101 Cb 0.49 -3.73 -0.02 0.00 -0.61 0.00 0.00 39.78 35.91 1ton n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ton n ASP 102 N -0.74 3.67 -3.89 6.41 2.03 -1.23 -4.24 116.55 118.57 1ton n ASP 102 Ca -0.17 -2.80 -0.12 0.00 0.52 0.00 0.00 54.79 52.22 1ton n ASP 102 Cb 0.58 -1.56 -0.14 0.00 -0.72 0.00 0.00 41.12 39.28 1ton n ASP 102 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ton s LEU 103 N 3.84 2.02 -0.10 -2.67 1.02 -1.26 -3.76 118.68 117.77 1ton s LEU 103 Ca 0.55 -0.05 -0.07 0.00 0.02 0.00 0.00 54.13 54.58 1ton s LEU 103 Cb 0.09 -0.01 0.04 0.00 0.02 0.00 0.00 46.19 46.33 1ton s LEU 103 CO 0.04 -0.02 0.25 -0.32 0.02 0.00 0.00 176.35 176.31 1ton s MET 104 N -0.14 0.24 -0.15 1.70 -2.45 0.15 -0.11 119.30 118.54 1ton s MET 104 Ca -0.01 0.46 -0.09 0.00 -1.25 0.00 0.00 55.69 54.80 1ton s MET 104 Cb -0.01 -0.02 -0.05 0.00 1.25 0.00 0.00 34.83 36.00 1ton s MET 104 CO -0.00 -0.11 0.17 -0.51 1.05 0.00 0.00 175.02 175.61 1ton s LEU 105 N 0.83 4.30 -0.24 4.11 1.43 0.17 -1.17 118.68 128.11 1ton s LEU 105 Ca -0.06 0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1ton s LEU 105 Cb -0.07 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1ton s LEU 105 CO -0.05 0.28 -0.03 -0.76 0.23 0.00 0.00 176.35 176.01 1ton s LEU 106 N -0.29 3.10 -0.42 1.79 1.43 0.18 -0.31 118.68 124.16 1ton s LEU 106 Ca 0.13 -0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 1ton s LEU 106 Cb -0.12 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1ton s LEU 106 CO 0.02 -0.07 0.63 -2.28 0.23 0.00 0.00 176.35 174.87 1ton s HIS 107 N 1.44 3.09 0.39 0.29 2.46 -0.02 -0.82 115.29 122.12 1ton s HIS 107 Ca 0.04 -0.00 -0.25 0.00 0.47 0.00 0.00 55.06 55.31 1ton s HIS 107 Cb -0.15 -3.28 -0.09 0.00 -0.13 0.00 0.00 32.58 28.93 1ton s HIS 107 CO -0.03 -0.81 1.12 -0.51 -2.47 0.00 0.00 174.74 172.04 1ton s LEU 108 N 2.75 4.20 0.16 8.88 1.43 0.30 0.16 118.68 136.56 1ton s LEU 108 Ca 0.22 2.22 -0.20 0.00 -1.03 0.00 0.00 54.13 55.34 1ton s LEU 108 Cb -0.14 -4.05 0.06 0.00 0.03 0.00 0.00 46.19 42.09 1ton s LEU 108 CO 0.18 -0.57 1.64 0.77 0.23 0.00 0.00 176.35 178.60 1ton h SER 109 N 2.67 -0.68 -3.91 2.29 4.64 -0.37 -3.42 113.55 114.77 1ton h SER 109 Ca -0.48 0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 60.80 1ton h SER 109 Cb 1.23 0.35 -0.26 0.00 -0.31 0.00 0.00 62.40 63.41 1ton h SER 109 CO 0.63 -0.24 -0.53 -1.83 -0.87 0.00 0.00 176.83 173.99 1ton s GLU 110 N -6.12 0.22 0.56 4.77 -1.05 -1.26 -4.94 118.70 110.87 1ton s GLU 110 Ca -0.14 0.16 -0.19 0.00 -0.15 0.00 0.00 54.97 54.65 1ton s GLU 110 Cb 0.13 0.10 -0.08 0.00 -0.44 0.00 0.00 34.13 33.85 1ton s GLU 110 CO 0.69 -0.03 0.67 -2.30 0.95 0.00 0.00 175.26 175.24 1ton n PRO 111 N 2.83 0.66 -2.58 -4.83 -0.02 -1.26 -4.84 135.00 124.96 1ton n PRO 111 Ca -0.14 0.26 -0.37 0.00 -2.02 0.00 0.00 63.50 61.23 1ton n PRO 111 Cb 0.59 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 1ton n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ton s ALA 112 N -1.62 3.13 0.06 3.55 0.00 0.42 -5.00 121.76 122.29 1ton s ALA 112 Ca 0.70 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 1ton s ALA 112 Cb -0.46 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 1ton s ALA 112 CO 0.53 -0.13 1.05 -0.51 0.00 0.00 0.00 175.76 176.70 1ton s ASP 113 N -1.53 7.30 -0.61 0.00 1.11 -1.26 -4.80 116.67 116.88 1ton s ASP 113 Ca 0.56 1.83 -0.21 0.00 0.18 0.00 0.00 52.55 54.91 1ton s ASP 113 Cb -0.22 -2.58 0.08 0.00 1.07 0.00 0.00 42.92 41.27 1ton s ASP 113 CO 0.28 -0.28 0.83 -0.63 1.18 0.00 0.00 175.17 176.55 1ton s ILE 114 N 0.71 4.56 0.09 0.77 -1.09 -1.26 -4.65 121.20 120.33 1ton s ILE 114 Ca 0.53 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1ton s ILE 114 Cb -0.25 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 1ton s ILE 114 CO 0.29 -1.23 0.01 0.35 -1.23 0.00 0.00 174.94 173.14 1ton n THR 115 N 5.79 0.00 1.23 2.92 -2.24 0.09 -4.97 114.28 117.10 1ton n THR 115 Ca -0.05 -0.41 0.10 0.00 -2.27 0.00 0.00 64.05 61.41 1ton n THR 115 Cb 0.45 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.26 1ton n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ton n GLY 116 N 3.93 -0.62 0.00 3.38 0.00 -1.26 -2.64 105.19 107.98 1ton n GLY 116 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ton n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ton n GLY 117 N 0.23 0.34 2.87 -0.02 0.00 -1.26 -5.00 105.19 102.35 1ton n GLY 117 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1ton n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ton s VAL 118 N -1.04 0.92 0.06 1.61 1.01 -1.08 -4.26 120.40 117.63 1ton s VAL 118 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1ton s VAL 118 Cb 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1ton s VAL 118 CO 0.00 0.28 0.22 -0.54 0.00 0.00 0.00 175.10 175.06 1ton s LYS 119 N 1.74 0.78 0.45 2.72 -0.14 -1.11 -0.74 119.74 123.44 1ton s LYS 119 Ca 0.04 -0.71 -0.01 0.00 -1.36 0.00 0.00 55.97 53.92 1ton s LYS 119 Cb -0.13 0.33 -0.01 0.00 -1.68 0.00 0.00 37.83 36.33 1ton s LYS 119 CO -0.08 -0.24 0.69 0.14 -0.76 0.00 0.00 175.35 175.10 1ton s VAL 120 N -3.03 4.28 0.18 3.17 -7.23 -1.26 -2.92 120.40 113.59 1ton s VAL 120 Ca -0.01 -0.35 0.10 0.00 -1.81 0.00 0.00 61.98 59.91 1ton s VAL 120 Cb 0.01 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 1ton s VAL 120 CO -0.06 -0.46 -0.21 -0.51 -0.31 0.00 0.00 175.10 173.55 1ton s ILE 121 N -2.58 2.08 0.41 -0.62 2.07 -0.13 -4.88 121.20 117.53 1ton s ILE 121 Ca 0.47 -1.99 -0.10 0.00 -1.41 0.00 0.00 60.65 57.63 1ton s ILE 121 Cb -0.10 -1.98 -0.06 0.00 0.13 0.00 0.00 42.46 40.45 1ton s ILE 121 CO 0.39 -0.24 0.76 -1.81 -1.91 0.00 0.00 174.94 172.14 1ton s ASP 122 N -2.71 6.48 0.57 4.50 1.01 -1.26 -4.52 116.67 120.75 1ton s ASP 122 Ca 0.18 1.09 -0.17 0.00 0.71 0.00 0.00 52.55 54.37 1ton s ASP 122 Cb -0.07 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1ton s ASP 122 CO 0.08 -0.41 1.05 -0.76 0.21 0.00 0.00 175.17 175.34 1ton s LEU 123 N -3.95 3.57 0.52 1.23 1.43 -1.26 -4.43 118.68 115.78 1ton s LEU 123 Ca 0.50 1.83 -0.18 0.00 -1.03 0.00 0.00 54.13 55.25 1ton s LEU 123 Cb -0.10 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.51 1ton s LEU 123 CO 0.33 -1.07 1.03 -2.16 0.23 0.00 0.00 176.35 174.71 1ton s PRO 124 N -3.92 3.71 0.00 1.29 0.04 -1.25 -4.95 135.00 129.92 1ton s PRO 124 Ca 0.64 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1ton s PRO 124 Cb -0.16 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1ton s PRO 124 CO 0.34 -0.49 0.54 0.25 0.04 0.00 0.00 177.00 177.68 1ton n THR 125 N -1.33 0.28 -3.83 1.26 -2.24 -1.26 -4.84 114.28 102.31 1ton n THR 125 Ca 0.09 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1ton n THR 125 Cb 0.53 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 1ton n THR 125 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ton s LYS 128 N -0.28 0.48 0.21 -0.78 1.02 -1.26 -5.15 119.74 113.98 1ton s LYS 128 Ca 0.00 -0.22 -0.31 0.00 0.02 0.00 0.00 55.97 55.46 1ton s LYS 128 Cb 0.00 0.21 -0.10 0.00 -0.52 0.00 0.00 37.83 37.42 1ton s LYS 128 CO 0.00 -0.11 1.46 -1.21 -0.92 0.00 0.00 175.35 174.57 1ton s GLU 129 N -1.08 4.26 0.48 1.68 0.41 -1.26 -4.99 118.70 118.21 1ton s GLU 129 Ca -0.12 2.28 -0.22 0.00 -0.41 0.00 0.00 54.97 56.50 1ton s GLU 129 Cb -0.06 -3.14 -0.07 0.00 -1.78 0.00 0.00 34.13 29.08 1ton s GLU 129 CO 0.02 -0.47 1.20 -1.25 -0.49 0.00 0.00 175.26 174.27 1ton s PRO 130 N 0.26 3.61 -0.25 0.39 0.04 -1.26 -5.02 135.00 132.77 1ton s PRO 130 Ca 0.63 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.40 1ton s PRO 130 Cb -0.42 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1ton s PRO 130 CO 0.38 -0.70 0.23 0.15 0.04 0.00 0.00 177.00 177.11 1ton s LYS 131 N -2.77 4.05 0.26 4.56 1.02 -1.26 -5.05 119.74 120.55 1ton s LYS 131 Ca 0.66 -0.17 -0.30 0.00 0.02 0.00 0.00 55.97 56.18 1ton s LYS 131 Cb -0.31 -3.59 -0.13 0.00 -0.52 0.00 0.00 37.83 33.28 1ton s LYS 131 CO 0.37 -0.07 1.34 0.28 -0.92 0.00 0.00 175.35 176.35 1ton n VAL 132 N 4.62 1.26 0.00 3.17 0.31 -1.26 -1.09 118.33 125.34 1ton n VAL 132 Ca -0.13 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1ton n VAL 132 Cb 0.52 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 1ton n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ton n GLY 133 N 1.77 1.43 3.72 2.92 0.00 0.44 -4.99 105.19 110.48 1ton n GLY 133 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1ton n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ton s SER 134 N -2.51 4.07 -0.14 1.61 1.04 -0.25 -4.59 113.70 112.93 1ton s SER 134 Ca 0.00 2.19 -0.18 0.00 0.48 0.00 0.00 55.95 58.44 1ton s SER 134 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1ton s SER 134 CO 0.00 -2.34 0.46 -0.89 0.98 0.00 0.00 173.24 171.45 1ton s THR 135 N -2.33 5.19 0.14 2.02 2.01 -1.26 -0.98 115.64 120.43 1ton s THR 135 Ca 0.70 0.91 0.10 0.00 0.31 0.00 0.00 61.69 63.70 1ton s THR 135 Cb -0.25 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1ton s THR 135 CO 0.49 0.31 -0.23 0.00 -0.69 0.00 0.00 174.62 174.50 1ton s LEU 137 N -2.26 2.28 0.03 0.00 0.20 -0.25 0.11 118.68 118.79 1ton s LEU 137 Ca 0.14 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.56 1ton s LEU 137 Cb -0.09 -1.39 -0.02 0.00 -0.43 0.00 0.00 46.19 44.26 1ton s LEU 137 CO 0.07 0.30 -0.13 0.00 -0.29 0.00 0.00 176.35 176.30 1ton s ALA 138 N -0.72 1.04 0.11 5.97 0.00 -0.22 -0.40 121.76 127.54 1ton s ALA 138 Ca 0.11 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1ton s ALA 138 Cb -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1ton s ALA 138 CO 0.01 0.19 -0.08 -1.54 0.00 0.00 0.00 175.76 174.34 1ton s SER 139 N -1.06 1.31 0.00 0.00 1.04 -1.25 -0.94 113.70 112.79 1ton s SER 139 Ca 0.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1ton s SER 139 Cb -0.07 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1ton s SER 139 CO 0.01 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1ton n GLY 140 N 0.03 0.53 0.72 7.32 0.00 -0.36 -4.54 105.19 108.88 1ton n GLY 140 Ca -0.12 -0.99 0.06 0.00 0.00 0.00 0.00 46.02 44.97 1ton n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ton n TRP 141 N -0.42 0.56 -0.74 1.61 8.01 -1.26 -1.46 117.44 123.74 1ton n TRP 141 Ca 0.00 -0.54 -0.30 0.00 -1.31 0.00 0.00 57.50 55.35 1ton n TRP 141 Cb 0.00 -0.06 0.26 0.00 -2.01 0.00 0.00 31.31 29.50 1ton n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ton s GLY 142 N -1.10 1.51 0.01 6.99 0.00 -1.25 -1.11 107.32 112.37 1ton s GLY 142 Ca 0.27 -0.78 -0.35 0.00 0.00 0.00 0.00 44.72 43.86 1ton s GLY 142 CO 0.16 0.13 1.67 -1.26 0.00 0.00 0.00 173.10 173.80 1ton n SER 143 N -5.11 2.94 -0.16 1.64 2.88 0.08 -2.58 113.62 113.31 1ton n SER 143 Ca 0.11 1.05 0.12 0.00 -1.33 0.00 0.00 58.87 58.82 1ton n SER 143 Cb 0.59 -1.34 0.22 0.00 -0.75 0.00 0.00 64.21 62.93 1ton n SER 143 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ton n THR 144 N 4.06 0.00 -4.18 2.46 -2.24 -1.22 -1.98 114.28 111.17 1ton n THR 144 Ca 0.20 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.56 1ton n THR 144 Cb 0.26 0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 1ton n THR 144 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ton s ASN 145 N -2.74 3.99 0.54 3.42 3.84 -1.26 -4.52 114.94 118.21 1ton s ASN 145 Ca 0.17 -0.43 0.32 0.00 0.21 0.00 0.00 52.86 53.13 1ton s ASN 145 Cb 0.18 -1.65 1.42 0.00 -0.55 0.00 0.00 41.25 40.65 1ton s ASN 145 CO 0.63 0.03 2.02 1.55 -2.79 0.00 0.00 177.10 178.54 1ton h PRO 146 N 7.71 0.00 0.00 0.43 0.13 -1.87 -3.30 132.00 135.10 1ton h PRO 146 Ca -0.38 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.38 1ton h PRO 146 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1ton h PRO 146 CO 0.60 0.07 -2.37 -1.13 -0.23 0.00 0.00 178.00 174.94 1ton n SER 147 N -3.25 0.33 -4.16 1.44 3.41 -1.26 -0.82 113.62 109.31 1ton n SER 147 Ca -0.00 -0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 58.46 1ton n SER 147 Cb 0.29 0.83 -0.11 0.00 -0.26 0.00 0.00 64.21 64.97 1ton n SER 147 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1ton s GLU 148 N -2.48 0.81 -0.50 4.33 -1.05 -1.24 -4.75 118.70 113.81 1ton s GLU 148 Ca -0.12 -1.15 -0.28 0.00 -0.15 0.00 0.00 54.97 53.26 1ton s GLU 148 Cb 0.06 -0.43 0.03 0.00 -0.44 0.00 0.00 34.13 33.35 1ton s GLU 148 CO 0.79 0.05 1.10 1.41 0.95 0.00 0.00 175.26 179.56 1ton s MET 149 N -2.90 3.63 -0.29 -4.83 1.75 -1.26 -4.22 119.30 111.18 1ton s MET 149 Ca 0.05 0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.91 1ton s MET 149 Cb -0.02 -3.94 0.08 0.00 2.84 0.00 0.00 34.83 33.79 1ton s MET 149 CO -0.01 -1.42 -0.04 0.08 -0.65 0.00 0.00 175.02 172.98 1ton s VAL 150 N 4.42 2.13 0.18 10.11 1.01 -1.26 -5.02 120.40 131.95 1ton s VAL 150 Ca 0.44 -1.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.23 1ton s VAL 150 Cb -0.08 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 1ton s VAL 150 CO 0.29 -0.27 1.46 -0.69 0.00 0.00 0.00 175.10 175.89 1ton s VAL 151 N 1.06 2.87 -0.13 2.92 1.01 -1.26 -3.43 120.40 123.43 1ton s VAL 151 Ca -0.00 0.66 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 1ton s VAL 151 Cb -0.19 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1ton s VAL 151 CO -0.07 0.07 0.43 -0.55 0.00 0.00 0.00 175.10 174.98 1ton s SER 152 N 0.85 6.61 0.06 3.32 0.15 -0.27 -4.99 113.70 119.44 1ton s SER 152 Ca 0.64 0.72 -0.18 0.00 0.70 0.00 0.00 55.95 57.84 1ton s SER 152 Cb -0.41 -2.26 -0.13 0.00 -1.71 0.00 0.00 66.02 61.51 1ton s SER 152 CO 0.35 0.01 1.35 0.45 1.20 0.00 0.00 173.24 176.60 1ton h HIS 153 N 6.77 0.62 -3.43 3.44 3.86 -1.94 -3.44 115.15 121.02 1ton h HIS 153 Ca -0.41 -0.20 -0.54 0.00 -1.16 0.00 0.00 60.37 58.06 1ton h HIS 153 Cb 1.17 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.48 1ton h HIS 153 CO 0.62 0.90 0.03 -0.51 0.86 0.00 0.00 177.93 179.83 1ton s ASP 154 N -6.37 7.02 0.20 2.45 1.01 -1.26 -0.22 116.67 119.49 1ton s ASP 154 Ca -0.13 1.31 -0.31 0.00 0.71 0.00 0.00 52.55 54.12 1ton s ASP 154 Cb 0.06 -2.38 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 1ton s ASP 154 CO 0.79 0.11 1.56 -0.22 0.21 0.00 0.00 175.17 177.63 1ton s LEU 155 N -1.75 4.37 0.06 1.23 2.96 0.54 -4.78 118.68 121.31 1ton s LEU 155 Ca 0.38 2.70 0.03 0.00 -0.22 0.00 0.00 54.13 57.02 1ton s LEU 155 Cb -0.17 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1ton s LEU 155 CO 0.20 -0.83 0.06 -1.10 -1.32 0.00 0.00 176.35 173.37 1ton s GLN 156 N 0.65 2.85 0.01 1.98 -1.52 -0.53 -1.19 119.66 121.91 1ton s GLN 156 Ca 0.68 -0.68 0.04 0.00 -1.95 0.00 0.00 55.36 53.46 1ton s GLN 156 Cb -0.45 -2.72 -0.02 0.00 -0.22 0.00 0.00 33.01 29.61 1ton s GLN 156 CO 0.36 0.58 -0.14 0.00 -0.25 0.00 0.00 175.29 175.84 1ton s VAL 158 N -0.56 -0.01 -0.27 0.00 0.11 -0.12 0.84 120.40 120.39 1ton s VAL 158 Ca 0.03 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 1ton s VAL 158 Cb -0.06 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1ton s VAL 158 CO 0.00 0.01 0.21 0.20 -3.33 0.00 0.00 175.10 172.19 1ton s ASN 159 N 0.30 6.05 0.14 3.54 -0.87 -1.26 -1.06 114.94 121.79 1ton s ASN 159 Ca -0.02 0.03 0.01 0.00 -1.57 0.00 0.00 52.86 51.31 1ton s ASN 159 Cb -0.03 -2.13 -0.00 0.00 -0.02 0.00 0.00 41.25 39.07 1ton s ASN 159 CO -0.01 -0.05 0.02 2.30 -2.57 0.00 0.00 177.10 176.79 1ton n ILE 160 N 4.99 0.00 -4.53 0.60 -5.35 0.30 -4.95 119.36 110.41 1ton n ILE 160 Ca -0.14 -0.74 -0.29 0.00 -0.27 0.00 0.00 62.75 61.31 1ton n ILE 160 Cb 0.52 0.20 -0.13 0.00 -1.74 0.00 0.00 39.64 38.49 1ton n ILE 160 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1ton s HIS 161 N -1.77 2.37 -0.34 4.28 3.76 -1.11 0.10 115.29 122.57 1ton s HIS 161 Ca 0.03 -0.36 -0.27 0.00 -0.15 0.00 0.00 55.06 54.31 1ton s HIS 161 Cb 0.00 -1.32 0.01 0.00 1.11 0.00 0.00 32.58 32.39 1ton s HIS 161 CO 0.02 0.28 0.98 -1.17 -0.85 0.00 0.00 174.74 174.00 1ton s LEU 162 N -1.81 3.97 0.34 0.89 2.96 -0.15 -1.95 118.68 122.93 1ton s LEU 162 Ca 0.14 0.80 0.07 0.00 -0.22 0.00 0.00 54.13 54.92 1ton s LEU 162 Cb -0.10 -3.37 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 1ton s LEU 162 CO 0.06 -0.84 0.48 -0.76 -1.32 0.00 0.00 176.35 173.96 1ton s LEU 163 N 3.50 3.94 0.36 -0.68 1.43 0.67 0.17 118.68 128.06 1ton s LEU 163 Ca 0.41 -0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 53.02 1ton s LEU 163 Cb -0.12 -2.73 -0.09 0.00 0.03 0.00 0.00 46.19 43.27 1ton s LEU 163 CO 0.17 -0.46 1.22 -0.55 0.23 0.00 0.00 176.35 176.95 1ton s SER 164 N -4.19 6.67 0.65 2.29 0.15 -1.26 -4.28 113.70 113.74 1ton s SER 164 Ca 0.46 2.48 0.42 0.00 0.70 0.00 0.00 55.95 60.01 1ton s SER 164 Cb -0.09 -2.63 2.33 0.00 -1.71 0.00 0.00 66.02 63.91 1ton s SER 164 CO 0.31 -0.58 2.35 0.78 1.20 0.00 0.00 173.24 177.30 1ton h ASN 165 N 3.04 0.00 0.03 5.45 4.21 -1.92 -1.28 115.58 125.10 1ton h ASN 165 Ca -0.49 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.02 1ton h ASN 165 Cb 1.23 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.43 1ton h ASN 165 CO 0.64 0.00 -0.03 -0.08 -1.29 0.00 0.00 177.43 176.68 1ton h GLU 166 N 0.00 0.00 0.00 0.81 4.81 -1.98 -2.40 114.58 115.82 1ton h GLU 166 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1ton h GLU 166 Cb 0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1ton h GLU 166 CO 0.00 0.03 -0.35 0.87 -0.73 0.00 0.00 179.01 178.83 1ton h LYS 167 N 0.00 0.00 -4.74 1.92 1.79 -1.59 -3.42 116.57 110.53 1ton h LYS 167 Ca -0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 1ton h LYS 167 Cb 0.05 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.50 1ton h LYS 167 CO 0.00 0.35 -0.50 0.00 -1.08 0.00 0.00 179.45 178.22 1ton h ILE 169 N 5.53 1.15 -0.02 0.00 6.09 -1.82 -2.78 117.51 125.65 1ton h ILE 169 Ca -0.32 -0.55 -0.00 0.00 -1.37 0.00 0.00 64.86 62.62 1ton h ILE 169 Cb 1.16 0.85 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 1ton h ILE 169 CO 0.62 0.20 -0.00 -0.33 -3.07 0.00 0.00 178.15 175.57 1ton h GLU 170 N 0.45 0.03 0.00 2.19 3.07 -1.94 -2.99 114.58 115.39 1ton h GLU 170 Ca 0.11 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1ton h GLU 170 Cb 0.19 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1ton h GLU 170 CO -0.00 0.04 0.00 0.25 -1.40 0.00 0.00 179.01 177.90 1ton n THR 171 N -4.52 0.88 0.75 1.13 -2.24 -1.05 -3.16 114.28 106.08 1ton n THR 171 Ca -0.03 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 1ton n THR 171 Cb 0.10 -1.09 0.44 0.00 -2.10 0.00 0.00 70.33 67.68 1ton n THR 171 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ton n TYR 172 N -1.96 0.59 -2.47 4.78 4.01 -1.13 -2.33 117.16 118.65 1ton n TYR 172 Ca 0.03 0.17 -0.37 0.00 -0.16 0.00 0.00 57.90 57.57 1ton n TYR 172 Cb 0.21 -0.76 -0.03 0.00 -0.31 0.00 0.00 39.34 38.45 1ton n TYR 172 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1ton s LYS 173 N -3.07 4.05 0.31 -0.72 -0.14 -1.19 -4.81 119.74 114.17 1ton s LYS 173 Ca 0.11 1.58 0.00 0.00 -1.36 0.00 0.00 55.97 56.30 1ton s LYS 173 Cb 0.15 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.80 1ton s LYS 173 CO 0.59 -0.25 0.00 -0.25 -0.76 0.00 0.00 175.35 174.68 1ton n ASP 174 N -0.19 0.00 -1.32 2.83 8.00 -1.26 -0.18 116.55 124.42 1ton n ASP 174 Ca 0.06 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.58 1ton n ASP 174 Cb 0.49 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.68 1ton n ASP 174 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ton n ASN 175 N 3.27 1.54 0.15 -2.24 5.03 -1.26 -4.84 115.26 116.91 1ton n ASN 175 Ca 0.00 -2.79 0.12 0.00 0.87 0.00 0.00 54.58 52.78 1ton n ASN 175 Cb 0.00 -0.40 0.53 0.00 -1.02 0.00 0.00 39.78 38.89 1ton n ASN 175 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1ton n VAL 176 N -0.25 0.88 -0.26 2.41 0.24 0.75 -2.59 118.33 119.50 1ton n VAL 176 Ca 0.13 0.38 0.04 0.00 -2.04 0.00 0.00 64.34 62.85 1ton n VAL 176 Cb 0.94 -1.34 0.17 0.00 -1.47 0.00 0.00 33.84 32.14 1ton n VAL 176 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ton h THR 177 N 0.00 0.78 -0.86 3.34 1.03 -1.63 -1.58 112.91 113.99 1ton h THR 177 Ca 0.00 -0.20 0.19 0.00 -0.01 0.00 0.00 66.41 66.39 1ton h THR 177 Cb 0.26 0.14 -0.16 0.00 -1.07 0.00 0.00 68.15 67.32 1ton h THR 177 CO 0.00 0.11 -0.12 0.44 -0.01 0.00 0.00 175.52 175.93 1ton h ASP 178 N 0.59 -0.64 -0.60 0.00 5.19 -1.81 -2.45 116.42 116.69 1ton h ASP 178 Ca 0.39 0.25 0.00 0.00 -0.62 0.00 0.00 57.03 57.05 1ton h ASP 178 Cb 0.49 0.48 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1ton h ASP 178 CO -0.32 -0.27 0.00 1.33 -3.12 0.00 0.00 179.24 176.86 1ton n VAL 179 N -5.50 2.22 -4.27 -1.35 0.24 -0.60 -4.94 118.33 104.12 1ton n VAL 179 Ca 0.15 -1.25 -0.20 0.00 -2.04 0.00 0.00 64.34 60.99 1ton n VAL 179 Cb 0.50 -0.08 -0.13 0.00 -1.47 0.00 0.00 33.84 32.67 1ton n VAL 179 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1ton s MET 180 N -2.26 0.95 0.24 7.34 -1.94 -0.92 -1.51 119.30 121.20 1ton s MET 180 Ca 0.52 -0.94 0.11 0.00 -1.71 0.00 0.00 55.69 53.66 1ton s MET 180 Cb 0.36 -1.02 -0.05 0.00 2.01 0.00 0.00 34.83 36.14 1ton s MET 180 CO 0.20 0.24 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.81 1ton s LEU 181 N -1.57 2.82 -0.12 -0.03 1.43 0.78 -4.75 118.68 117.24 1ton s LEU 181 Ca 0.01 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1ton s LEU 181 Cb -0.09 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.75 1ton s LEU 181 CO 0.02 0.05 -0.11 0.00 0.23 0.00 0.00 176.35 176.55 1ton s ALA 183 N 1.46 -0.49 0.00 0.00 0.00 -0.48 -0.24 121.76 122.02 1ton s ALA 183 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1ton s ALA 183 Cb -0.13 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1ton s ALA 183 CO -0.07 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1ton n GLY 184 N 0.68 0.29 2.88 0.00 0.00 -0.82 -0.89 105.19 107.33 1ton n GLY 184 Ca -0.19 -1.29 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 1ton n GLY 184 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ton s GLU 185 N -2.00 0.77 0.56 1.61 0.41 -1.26 -2.76 118.70 116.03 1ton s GLU 185 Ca 0.00 -0.08 0.26 0.00 -0.41 0.00 0.00 54.97 54.74 1ton s GLU 185 Cb 0.00 -0.81 1.48 0.00 -1.78 0.00 0.00 34.13 33.02 1ton s GLU 185 CO 0.00 -0.09 2.02 1.98 -0.49 0.00 0.00 175.26 178.68 1ton h MET 186 N 7.21 0.00 0.00 1.61 4.05 -1.96 0.25 114.93 126.09 1ton h MET 186 Ca -0.38 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.04 1ton h MET 186 Cb 1.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 1ton h MET 186 CO 0.47 0.00 0.00 0.93 0.23 0.00 0.00 176.91 178.54 1ton h GLU 186 N 0.00 0.00 0.00 0.39 4.39 -1.94 1.92 114.58 119.34 1ton h GLU 186 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1ton h GLU 186 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1ton h GLU 186 CO -0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1ton n GLY 186 N 0.65 -2.10 1.69 -3.84 0.00 0.89 -4.35 105.19 98.14 1ton n GLY 186 Ca 0.03 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1ton n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ton n GLY 187 N -0.07 3.09 2.93 -0.02 0.00 -0.57 -4.83 105.19 105.72 1ton n GLY 187 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1ton n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ton s LYS 188 N -0.35 1.24 0.08 1.61 1.02 -1.26 -3.29 119.74 118.79 1ton s LYS 188 Ca 0.00 -0.22 -0.27 0.00 0.02 0.00 0.00 55.97 55.50 1ton s LYS 188 Cb 0.00 -1.18 0.08 0.00 -0.52 0.00 0.00 37.83 36.21 1ton s LYS 188 CO 0.00 -0.10 1.00 0.34 -0.92 0.00 0.00 175.35 175.68 1ton s ASP 189 N 1.07 -0.20 0.44 2.83 2.15 -0.97 -4.13 116.67 117.86 1ton s ASP 189 Ca -0.08 -0.26 -0.07 0.00 0.43 0.00 0.00 52.55 52.57 1ton s ASP 189 Cb -0.14 0.40 -0.05 0.00 -0.30 0.00 0.00 42.92 42.83 1ton s ASP 189 CO -0.01 -0.72 0.76 0.42 -0.17 0.00 0.00 175.17 175.45 1ton s THR 190 N -3.08 4.88 0.04 1.71 -4.23 -1.26 -0.77 115.64 112.92 1ton s THR 190 Ca 0.11 0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1ton s THR 190 Cb -0.00 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1ton s THR 190 CO -0.01 -0.68 0.06 0.00 -0.54 0.00 0.00 174.62 173.44 1ton n ALA 192 N -2.71 2.30 0.00 0.00 0.00 0.16 -1.39 120.51 118.88 1ton n ALA 192 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1ton n ALA 192 Cb 0.07 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1ton n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ton n GLY 193 N 3.93 2.56 0.04 0.00 0.00 -1.26 -0.74 105.19 109.72 1ton n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1ton n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ton n ASP 194 N 0.00 0.63 -4.56 1.61 8.00 -0.48 -3.86 116.55 117.88 1ton n ASP 194 Ca 0.00 -0.03 -0.50 0.00 0.71 0.00 0.00 54.79 54.97 1ton n ASP 194 Cb 0.00 0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1ton n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ton n SER 195 N -1.93 1.06 0.00 -2.24 7.64 -1.26 -1.89 113.62 115.00 1ton n SER 195 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1ton n SER 195 Cb 0.41 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1ton n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ton n GLY 196 N 1.97 1.77 3.93 0.23 0.00 0.13 -0.43 105.19 112.80 1ton n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1ton n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ton s GLY 197 N -2.02 1.78 0.52 -0.02 0.00 -0.79 -2.97 107.32 103.81 1ton s GLY 197 Ca 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 44.72 43.45 1ton s GLY 197 CO 0.00 -0.46 0.83 2.56 0.00 0.00 0.00 173.10 176.02 1ton s PRO 198 N -5.85 3.33 -0.21 2.90 0.04 -1.26 -0.73 135.00 133.21 1ton s PRO 198 Ca 0.73 0.13 -0.02 0.00 0.04 0.00 0.00 61.00 61.88 1ton s PRO 198 Cb -0.04 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 32.23 1ton s PRO 198 CO 0.53 -0.38 0.04 -1.17 0.04 0.00 0.00 177.00 176.06 1ton s LEU 199 N -4.83 1.37 -0.31 -3.56 2.96 -0.69 -3.86 118.68 109.77 1ton s LEU 199 Ca 0.50 -0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1ton s LEU 199 Cb -0.10 -0.66 0.03 0.00 0.50 0.00 0.00 46.19 45.96 1ton s LEU 199 CO 0.45 -0.32 0.06 -0.63 -1.32 0.00 0.00 176.35 174.59 1ton s ILE 200 N 1.81 3.64 -0.14 6.68 1.01 0.47 0.29 121.20 134.95 1ton s ILE 200 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 1ton s ILE 200 Cb -0.17 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1ton s ILE 200 CO -0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 174.94 174.76 1ton n ASP 202 N 3.38 -4.38 0.00 0.00 8.00 -0.71 -1.09 116.55 121.75 1ton n ASP 202 Ca -0.18 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1ton n ASP 202 Cb 0.53 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 1ton n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ton n GLY 207 N -1.30 1.27 3.81 0.44 0.00 -1.26 -5.04 105.19 103.11 1ton n GLY 207 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1ton n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ton s VAL 208 N -3.20 4.88 -0.42 1.61 1.01 -0.25 -5.06 120.40 118.97 1ton s VAL 208 Ca 0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 1ton s VAL 208 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.13 1ton s VAL 208 CO 0.00 0.29 1.04 -0.22 0.00 0.00 0.00 175.10 176.21 1ton s LEU 209 N -1.94 3.84 -0.03 3.92 2.96 -1.26 0.76 118.68 126.93 1ton s LEU 209 Ca 0.26 0.53 0.05 0.00 -0.22 0.00 0.00 54.13 54.75 1ton s LEU 209 Cb -0.12 -3.42 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 1ton s LEU 209 CO 0.17 -1.06 0.08 0.00 -1.32 0.00 0.00 176.35 174.21 1ton n GLN 210 N 7.31 1.48 -4.18 1.98 1.13 0.15 -3.90 117.38 121.35 1ton n GLN 210 Ca 0.10 -0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 55.02 1ton n GLN 210 Cb 0.48 -1.13 -0.10 0.00 0.11 0.00 0.00 30.24 29.60 1ton n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ton s GLY 211 N -3.07 1.29 -0.10 1.08 0.00 -0.80 -1.61 107.32 104.12 1ton s GLY 211 Ca -0.02 -1.62 0.02 0.00 0.00 0.00 0.00 44.72 43.10 1ton s GLY 211 CO 0.22 -1.38 -0.16 -0.42 0.00 0.00 0.00 173.10 171.35 1ton s ILE 212 N -4.12 1.52 0.22 0.90 -1.09 -1.06 -1.70 121.20 115.87 1ton s ILE 212 Ca 0.34 -0.68 -0.31 0.00 -2.23 0.00 0.00 60.65 57.77 1ton s ILE 212 Cb 0.07 -1.37 -0.11 0.00 -1.58 0.00 0.00 42.46 39.47 1ton s ILE 212 CO 0.09 0.44 1.62 -0.89 -1.23 0.00 0.00 174.94 174.97 1ton s THR 213 N 0.78 2.29 0.00 2.92 2.01 0.09 -1.41 115.64 122.32 1ton s THR 213 Ca -0.11 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1ton s THR 213 Cb -0.16 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1ton s THR 213 CO 0.02 0.02 0.00 -0.24 -0.69 0.00 0.00 174.62 173.73 1ton n SER 214 N 3.40 0.00 -4.71 3.53 2.88 -1.19 0.23 113.62 117.76 1ton n SER 214 Ca 0.13 -0.38 -0.42 0.00 -1.33 0.00 0.00 58.87 56.86 1ton n SER 214 Cb 0.37 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 1ton n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ton n GLY 215 N 5.00 1.55 2.54 0.46 0.00 -1.26 -4.15 105.19 109.33 1ton n GLY 215 Ca 0.00 0.65 -0.26 0.00 0.00 0.00 0.00 46.02 46.41 1ton n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ton n GLY 216 N 4.01 4.69 3.74 -0.02 0.00 -1.26 -4.95 105.19 111.40 1ton n GLY 216 Ca 0.17 -2.49 -0.35 0.00 0.00 0.00 0.00 46.02 43.34 1ton n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ton s ALA 217 N -2.65 2.39 0.35 4.61 0.00 -1.26 0.39 121.76 125.60 1ton s ALA 217 Ca 0.42 0.98 -0.25 0.00 0.00 0.00 0.00 51.96 53.11 1ton s ALA 217 Cb 0.22 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1ton s ALA 217 CO -0.08 -1.45 1.01 0.95 0.00 0.00 0.00 175.76 176.19 1ton s THR 218 N -1.71 3.92 0.21 0.00 -4.23 -1.26 -4.15 115.64 108.42 1ton s THR 218 Ca 0.77 1.57 -0.19 0.00 -1.18 0.00 0.00 61.69 62.65 1ton s THR 218 Cb -0.31 -3.85 -0.08 0.00 1.34 0.00 0.00 72.50 69.60 1ton s THR 218 CO 0.38 0.10 0.70 -2.16 -0.54 0.00 0.00 174.62 173.11 1ton s PRO 219 N -2.20 4.24 0.41 3.99 0.04 -1.26 -5.08 135.00 135.15 1ton s PRO 219 Ca 0.53 0.85 0.07 0.00 0.04 0.00 0.00 61.00 62.49 1ton s PRO 219 Cb -0.21 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1ton s PRO 219 CO 0.27 0.42 0.28 0.00 0.04 0.00 0.00 177.00 178.01 1ton n ALA 221 N -1.39 -0.63 -1.82 0.00 0.00 -1.26 -4.70 120.51 110.71 1ton n ALA 221 Ca 0.01 0.17 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 1ton n ALA 221 Cb 0.63 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 1ton n ALA 221 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ton s LYS 222 N -4.97 4.52 0.42 0.00 -0.14 -1.26 -1.51 119.74 116.80 1ton s LYS 222 Ca 0.00 1.95 -0.26 0.00 -1.36 0.00 0.00 55.97 56.29 1ton s LYS 222 Cb 0.00 -3.16 -0.09 0.00 -1.68 0.00 0.00 37.83 32.89 1ton s LYS 222 CO 0.00 0.02 1.45 -1.25 -0.76 0.00 0.00 175.35 174.81 1ton s PRO 222 N -1.27 3.86 -1.75 -1.68 0.04 -1.26 -2.09 135.00 130.86 1ton s PRO 222 Ca 0.48 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.00 1ton s PRO 222 Cb -0.35 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1ton s PRO 222 CO 0.44 -0.70 0.00 1.17 0.04 0.00 0.00 177.00 177.95 1ton n LYS 223 N 0.08 -1.27 -3.43 4.56 3.00 0.65 -4.90 118.16 116.85 1ton n LYS 223 Ca 0.03 1.04 -0.27 0.00 -0.00 0.00 0.00 58.31 59.11 1ton n LYS 223 Cb 0.41 -5.35 -0.10 0.00 0.00 0.00 0.00 35.03 29.99 1ton n LYS 223 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1ton n THR 224 N -2.96 -0.88 -1.15 3.15 -1.04 -0.89 -5.03 114.28 105.49 1ton n THR 224 Ca -0.19 -3.62 -0.29 0.00 -2.04 0.00 0.00 64.05 57.92 1ton n THR 224 Cb 0.60 -1.73 0.17 0.00 -1.82 0.00 0.00 70.33 67.55 1ton n THR 224 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ton s PRO 225 N -0.19 0.66 0.37 -2.82 0.05 -1.26 -4.50 135.00 127.30 1ton s PRO 225 Ca 0.32 0.65 0.08 0.00 0.05 0.00 0.00 61.00 62.10 1ton s PRO 225 Cb 0.04 -1.75 -0.03 0.00 0.05 0.00 0.00 34.50 32.81 1ton s PRO 225 CO -0.19 -2.61 0.29 0.00 0.05 0.00 0.00 177.00 174.54 1ton s ALA 226 N -2.93 3.84 -0.09 8.56 0.00 -0.07 -4.88 121.76 126.19 1ton s ALA 226 Ca 0.65 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 1ton s ALA 226 Cb -0.19 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 1ton s ALA 226 CO 0.58 -0.07 0.23 0.42 0.00 0.00 0.00 175.76 176.92 1ton s ILE 227 N -2.40 5.34 0.01 0.00 -1.09 -1.26 -1.38 121.20 120.43 1ton s ILE 227 Ca 0.43 0.43 0.01 0.00 -2.23 0.00 0.00 60.65 59.28 1ton s ILE 227 Cb -0.04 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 1ton s ILE 227 CO 0.26 0.58 -0.04 -0.31 -1.23 0.00 0.00 174.94 174.20 1ton s TYR 228 N -0.85 0.32 -0.01 3.97 2.02 -0.61 -3.15 117.35 119.03 1ton s TYR 228 Ca 0.17 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.31 1ton s TYR 228 Cb -0.13 -0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 41.17 1ton s TYR 228 CO 0.07 -0.07 1.33 0.00 -1.57 0.00 0.00 175.55 175.31 1ton s ALA 229 N -0.69 3.55 -0.82 3.71 0.00 -0.50 -0.15 121.76 126.85 1ton s ALA 229 Ca -0.06 0.80 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 1ton s ALA 229 Cb -0.05 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1ton s ALA 229 CO -0.00 -0.84 1.61 0.21 0.00 0.00 0.00 175.76 176.74 1ton s LYS 230 N 2.27 3.02 0.24 0.00 2.20 -0.57 -2.55 119.74 124.36 1ton s LYS 230 Ca 0.61 -0.29 -0.04 0.00 -0.36 0.00 0.00 55.97 55.88 1ton s LYS 230 Cb -0.29 -4.75 0.40 0.00 -1.51 0.00 0.00 37.83 31.68 1ton s LYS 230 CO 0.25 -2.58 1.80 -0.07 -0.36 0.00 0.00 175.35 174.39 1ton h LEU 231 N 14.85 0.61 -1.55 5.43 3.38 -1.63 -1.21 115.31 135.20 1ton h LEU 231 Ca -0.06 0.06 0.33 0.00 0.09 0.00 0.00 57.88 58.29 1ton h LEU 231 Cb 1.05 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 1ton h LEU 231 CO 1.29 0.34 0.77 -0.29 0.09 0.00 0.00 178.44 180.64 1ton h ILE 232 N 0.73 0.40 -0.00 1.22 6.09 -1.88 0.31 117.51 124.38 1ton h ILE 232 Ca 0.40 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.81 1ton h ILE 232 Cb 0.40 0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.85 1ton h ILE 232 CO -0.27 0.04 -0.01 0.29 -3.07 0.00 0.00 178.15 175.14 1ton n LYS 233 N -4.51 0.73 0.00 2.19 4.76 -0.46 -3.74 118.16 117.13 1ton n LYS 233 Ca 0.28 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1ton n LYS 233 Cb 1.11 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 1ton n LYS 233 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ton n PHE 234 N -1.11 0.00 0.02 2.13 3.01 0.11 -4.72 117.46 116.89 1ton n PHE 234 Ca 0.19 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.70 1ton n PHE 234 Cb 0.18 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.11 1ton n PHE 234 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1ton h THR 235 N 0.11 1.08 -0.61 4.37 1.35 -1.58 0.16 112.91 117.79 1ton h THR 235 Ca 0.00 -0.17 -0.05 0.00 -0.55 0.00 0.00 66.41 65.65 1ton h THR 235 Cb 0.05 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.00 1ton h THR 235 CO 0.00 0.09 0.19 -1.28 -0.25 0.00 0.00 175.52 174.27 1ton h SER 236 N 0.48 0.88 -0.21 5.36 0.87 -1.84 0.95 113.55 120.04 1ton h SER 236 Ca 0.15 -0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 1ton h SER 236 Cb -0.00 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1ton h SER 236 CO -0.03 0.85 -0.34 -0.25 -0.53 0.00 0.00 176.83 176.53 1ton h TRP 237 N 0.86 0.75 0.17 2.24 7.01 -1.61 -2.34 115.95 123.02 1ton h TRP 237 Ca 0.20 -0.26 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1ton h TRP 237 Cb 0.28 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1ton h TRP 237 CO 0.02 1.00 -0.14 0.82 -2.79 0.00 0.00 178.44 177.34 1ton h ILE 238 N 0.29 0.68 -0.12 2.65 2.04 -0.35 -2.24 117.51 120.46 1ton h ILE 238 Ca 0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1ton h ILE 238 Cb 0.93 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 1ton h ILE 238 CO 0.08 0.00 -0.46 0.50 0.00 0.00 0.00 178.15 178.27 1ton h LYS 239 N -0.33 -0.51 -0.63 2.37 1.63 0.97 -2.55 116.57 117.52 1ton h LYS 239 Ca -0.00 0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1ton h LYS 239 Cb 0.30 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 1ton h LYS 239 CO -0.02 -0.34 0.42 0.87 -3.45 0.00 0.00 179.45 176.92 1ton h LYS 240 N -0.53 0.68 -0.03 1.90 6.56 -1.33 -1.90 116.57 121.91 1ton h LYS 240 Ca 0.06 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1ton h LYS 240 Cb 0.65 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1ton h LYS 240 CO -0.40 0.45 -0.02 0.28 -2.06 0.00 0.00 179.45 177.69 1ton h VAL 241 N 0.70 1.35 0.00 0.50 2.07 -1.18 -1.99 116.25 117.70 1ton h VAL 241 Ca 0.26 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1ton h VAL 241 Cb 0.15 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1ton h VAL 241 CO -0.07 0.29 -0.06 0.24 0.02 0.00 0.00 177.57 177.98 1ton h MET 242 N -0.35 0.00 -0.25 1.57 2.86 -1.29 -1.91 114.93 115.57 1ton h MET 242 Ca 0.01 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.45 1ton h MET 242 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1ton h MET 242 CO 0.01 0.06 -0.61 0.87 1.06 0.00 0.00 176.91 178.29 1ton h LYS 243 N 0.00 0.84 -0.00 1.72 1.79 -1.17 -3.01 116.57 116.75 1ton h LYS 243 Ca -0.00 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 1ton h LYS 243 Cb 0.12 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1ton h LYS 243 CO 0.01 1.20 -0.08 0.39 -1.08 0.00 0.00 179.45 179.90 1ton n GLU 244 N -3.98 0.40 -3.37 3.15 -0.58 -0.76 -4.26 120.64 111.24 1ton n GLU 244 Ca -0.05 -0.08 -0.26 0.00 -0.42 0.00 0.00 57.16 56.35 1ton n GLU 244 Cb 0.66 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.96 1ton n GLU 244 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ton n ASN 245 N -1.23 2.61 0.00 1.62 3.02 -0.78 -5.09 115.26 115.41 1ton n ASN 245 Ca 0.12 -3.20 0.01 0.00 -0.03 0.00 0.00 54.58 51.48 1ton n ASN 245 Cb 0.28 -0.66 0.05 0.00 -0.61 0.00 0.00 39.78 38.84 1ton n ASN 245 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99