#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a31 s VAL 17 N 0.00 5.35 -0.40 1.39 1.01 0.30 -4.08 120.40 123.97 2a31 s VAL 17 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2a31 s VAL 17 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2a31 s VAL 17 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2a31 n GLY 18 N 2.80 0.67 0.00 4.51 0.00 -1.22 -1.47 105.19 110.49 2a31 n GLY 18 Ca -0.16 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2a31 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a31 n GLY 19 N -2.51 2.06 3.19 -0.02 0.00 -1.26 -4.84 105.19 101.81 2a31 n GLY 19 Ca -0.04 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 2a31 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2a31 s TYR 20 N 2.24 0.44 -0.11 1.61 1.13 -0.30 -4.96 117.35 117.40 2a31 s TYR 20 Ca 0.00 -0.88 -0.30 0.00 -1.41 0.00 0.00 57.07 54.48 2a31 s TYR 20 Cb 0.00 -0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.61 2a31 s TYR 20 CO 0.00 -0.53 1.13 0.99 -2.51 0.00 0.00 175.55 174.63 2a31 s THR 21 N -3.94 4.47 0.63 -3.49 2.01 -1.26 -0.69 115.64 113.37 2a31 s THR 21 Ca 0.12 1.77 -0.18 0.00 0.31 0.00 0.00 61.69 63.70 2a31 s THR 21 Cb 0.06 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2a31 s THR 21 CO -0.06 -0.05 1.26 0.00 -0.69 0.00 0.00 174.62 175.09 2a31 s ALA 23 N -1.46 3.57 -0.00 0.00 0.00 -1.26 -4.86 121.76 117.74 2a31 s ALA 23 Ca 0.81 1.53 -0.35 0.00 0.00 0.00 0.00 51.96 53.94 2a31 s ALA 23 Cb -0.35 -3.59 -0.14 0.00 0.00 0.00 0.00 23.12 19.04 2a31 s ALA 23 CO 0.37 -0.99 1.67 0.00 0.00 0.00 0.00 175.76 176.82 2a31 n ALA 24 N 0.60 0.60 -1.60 0.00 0.00 -1.26 -1.57 120.51 117.29 2a31 n ALA 24 Ca 0.01 0.39 -0.18 0.00 0.00 0.00 0.00 53.44 53.66 2a31 n ALA 24 Cb 0.40 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.43 2a31 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2a31 n ASN 25 N 4.72 -5.16 -0.01 0.00 4.13 -1.26 -4.85 115.26 112.83 2a31 n ASN 25 Ca 0.21 0.40 0.14 0.00 1.68 0.00 0.00 54.58 57.01 2a31 n ASN 25 Cb 0.25 -4.23 0.66 0.00 -1.54 0.00 0.00 39.78 34.92 2a31 n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2a31 n SER 26 N -0.93 0.08 -3.24 6.41 3.41 -0.61 -3.87 113.62 114.87 2a31 n SER 26 Ca -0.18 0.07 -0.27 0.00 -0.26 0.00 0.00 58.87 58.23 2a31 n SER 26 Cb 0.59 -0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 2a31 n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2a31 n ILE 27 N -1.35 2.57 0.49 -1.33 2.08 -1.26 -4.97 119.36 115.59 2a31 n ILE 27 Ca 0.11 -5.34 0.10 0.00 0.56 0.00 0.00 62.75 58.18 2a31 n ILE 27 Cb 0.29 -1.83 0.42 0.00 -0.75 0.00 0.00 39.64 37.77 2a31 n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2a31 n PRO 28 N 0.45 0.10 0.03 0.38 -0.04 -1.25 -1.21 135.00 133.46 2a31 n PRO 28 Ca 0.30 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 2a31 n PRO 28 Cb 0.41 -1.69 0.34 0.00 -0.04 0.00 0.00 33.50 32.52 2a31 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2a31 n TYR 29 N -1.88 0.24 -2.29 0.54 0.18 -1.17 -2.04 117.16 110.74 2a31 n TYR 29 Ca 0.03 0.07 -0.42 0.00 1.88 0.00 0.00 57.90 59.46 2a31 n TYR 29 Cb 0.22 -0.49 -0.03 0.00 -0.38 0.00 0.00 39.34 38.66 2a31 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2a31 s GLN 30 N -3.05 4.38 0.24 -3.48 2.00 -0.35 -0.91 119.66 118.50 2a31 s GLN 30 Ca 0.11 1.93 0.11 0.00 -2.00 0.00 0.00 55.36 55.51 2a31 s GLN 30 Cb 0.16 -3.29 -0.05 0.00 0.80 0.00 0.00 33.01 30.64 2a31 s GLN 30 CO 0.65 -0.32 -0.19 0.14 -0.50 0.00 0.00 175.29 175.07 2a31 s VAL 31 N 0.94 2.59 -0.18 1.34 -7.23 -0.48 -4.47 120.40 112.92 2a31 s VAL 31 Ca 0.61 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 2a31 s VAL 31 Cb -0.33 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2a31 s VAL 31 CO 0.31 -0.29 0.04 -0.55 -0.31 0.00 0.00 175.10 174.30 2a31 s SER 32 N -3.21 5.40 -0.17 4.85 0.15 -0.55 -2.50 113.70 117.67 2a31 s SER 32 Ca 0.27 0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.78 2a31 s SER 32 Cb -0.06 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 2a31 s SER 32 CO 0.14 0.15 0.35 -0.76 1.20 0.00 0.00 173.24 174.32 2a31 s LEU 33 N 0.49 4.22 -0.07 3.45 1.43 0.13 -0.82 118.68 127.51 2a31 s LEU 33 Ca 0.02 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 2a31 s LEU 33 Cb -0.13 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.63 2a31 s LEU 33 CO 0.01 0.02 -0.16 0.21 0.23 0.00 0.00 176.35 176.67 2a31 s ASN 34 N 0.70 2.13 -0.42 2.29 3.84 0.08 -1.04 114.94 122.52 2a31 s ASN 34 Ca 0.19 -0.37 0.11 0.00 0.21 0.00 0.00 52.86 53.00 2a31 s ASN 34 Cb -0.14 -0.94 0.37 0.00 -0.55 0.00 0.00 41.25 39.99 2a31 s ASN 34 CO 0.06 0.08 0.86 -0.24 -2.79 0.00 0.00 177.10 175.07 2a31 n SER 37 N 3.67 2.21 0.00 -4.21 2.88 -1.26 -1.24 113.62 115.67 2a31 n SER 37 Ca -0.21 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.13 2a31 n SER 37 Cb 0.52 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2a31 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a31 n GLY 38 N 0.02 2.76 3.21 0.46 0.00 -1.26 -5.00 105.19 105.38 2a31 n GLY 38 Ca 0.25 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 2a31 n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a31 s SER 39 N 0.04 0.17 0.25 1.61 0.01 -1.26 -5.13 113.70 109.38 2a31 s SER 39 Ca 0.00 -0.78 -0.31 0.00 1.31 0.00 0.00 55.95 56.17 2a31 s SER 39 Cb 0.00 0.34 -0.13 0.00 0.21 0.00 0.00 66.02 66.44 2a31 s SER 39 CO 0.00 -0.74 1.50 1.57 0.41 0.00 0.00 173.24 175.98 2a31 n HIS 40 N -0.07 2.45 0.00 2.43 -0.00 -1.26 -4.33 115.22 114.44 2a31 n HIS 40 Ca -0.13 0.34 0.00 0.00 0.46 0.00 0.00 57.72 58.39 2a31 n HIS 40 Cb 0.62 -2.53 0.00 0.00 -0.12 0.00 0.00 29.99 27.97 2a31 n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 2a31 n PHE 41 N 2.18 0.00 -3.42 1.57 -1.74 -0.21 -4.94 117.46 110.90 2a31 n PHE 41 Ca 0.11 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.88 2a31 n PHE 41 Cb 0.33 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.31 2a31 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a31 s GLY 43 N -2.74 1.75 0.15 0.00 0.00 0.42 -0.70 107.32 106.21 2a31 s GLY 43 Ca 0.01 -1.83 -0.24 0.00 0.00 0.00 0.00 44.72 42.67 2a31 s GLY 43 CO -0.13 -1.25 1.06 -0.32 0.00 0.00 0.00 173.10 172.46 2a31 s GLY 44 N -4.75 0.00 -0.04 0.20 0.00 -1.04 -3.65 107.32 98.04 2a31 s GLY 44 Ca 0.66 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 45.24 2a31 s GLY 44 CO 0.44 2.14 -0.08 -0.56 0.00 0.00 0.00 173.10 175.04 2a31 s SER 45 N -3.33 1.18 -0.29 1.64 0.01 -0.30 -1.38 113.70 111.23 2a31 s SER 45 Ca 0.20 -0.18 -0.28 0.00 1.31 0.00 0.00 55.95 57.00 2a31 s SER 45 Cb -0.02 -0.47 0.01 0.00 0.21 0.00 0.00 66.02 65.75 2a31 s SER 45 CO 0.04 0.01 1.02 -0.22 0.41 0.00 0.00 173.24 174.50 2a31 s LEU 46 N 0.57 4.00 0.00 2.44 2.96 -0.09 -0.86 118.68 127.70 2a31 s LEU 46 Ca -0.09 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 2a31 s LEU 46 Cb -0.12 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2a31 s LEU 46 CO 0.01 -0.78 0.83 2.30 -1.32 0.00 0.00 176.35 177.39 2a31 n ILE 47 N 5.67 0.66 -3.46 6.68 -5.35 -0.52 -1.40 119.36 121.65 2a31 n ILE 47 Ca 0.11 -0.83 -0.10 0.00 -0.27 0.00 0.00 62.75 61.65 2a31 n ILE 47 Cb 0.47 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 39.02 2a31 n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2a31 s ASN 48 N -0.66 -0.48 0.56 7.28 3.84 -1.07 -4.81 114.94 119.60 2a31 s ASN 48 Ca 0.00 0.01 0.26 0.00 0.21 0.00 0.00 52.86 53.34 2a31 s ASN 48 Cb 0.00 0.50 1.52 0.00 -0.55 0.00 0.00 41.25 42.72 2a31 s ASN 48 CO 0.00 -0.81 2.05 0.77 -2.79 0.00 0.00 177.10 176.32 2a31 h SER 49 N 2.01 0.00 -0.14 -4.21 4.64 -1.95 -2.22 113.55 111.68 2a31 h SER 49 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2a31 h SER 49 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2a31 h SER 49 CO 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 2a31 n GLN 50 N -4.05 1.43 -3.80 4.77 6.02 -1.26 -0.53 117.38 119.96 2a31 n GLN 50 Ca 0.04 -1.54 -0.14 0.00 -0.01 0.00 0.00 57.00 55.36 2a31 n GLN 50 Cb 0.43 -1.27 -0.15 0.00 1.02 0.00 0.00 30.24 30.27 2a31 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2a31 s TRP 51 N -1.05 -0.03 -0.02 1.08 0.52 -0.84 -0.53 118.94 118.08 2a31 s TRP 51 Ca 0.19 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.51 2a31 s TRP 51 Cb 0.12 -0.12 -0.03 0.00 -1.15 0.00 0.00 33.47 32.29 2a31 s TRP 51 CO 0.17 -0.08 -0.08 0.08 0.02 0.00 0.00 176.95 177.06 2a31 s VAL 52 N 0.70 3.54 -0.09 4.03 1.01 -0.28 -1.44 120.40 127.86 2a31 s VAL 52 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2a31 s VAL 52 Cb -0.08 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2a31 s VAL 52 CO -0.02 0.46 -0.07 0.54 0.00 0.00 0.00 175.10 176.01 2a31 s VAL 53 N -0.92 3.63 0.00 2.92 0.11 -0.04 -0.50 120.40 125.60 2a31 s VAL 53 Ca 0.15 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 2a31 s VAL 53 Cb -0.11 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 2a31 s VAL 53 CO 0.05 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.15 2a31 n SER 54 N 2.62 0.00 -4.85 3.54 2.88 0.35 -1.15 113.62 117.02 2a31 n SER 54 Ca -0.18 -0.36 -0.35 0.00 -1.33 0.00 0.00 58.87 56.66 2a31 n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 2a31 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a31 s ALA 55 N -1.83 3.80 0.49 -1.46 0.00 -1.26 -1.17 121.76 120.34 2a31 s ALA 55 Ca 0.00 -0.74 0.14 0.00 0.00 0.00 0.00 51.96 51.36 2a31 s ALA 55 Cb 0.00 -1.83 1.17 0.00 0.00 0.00 0.00 23.12 22.46 2a31 s ALA 55 CO 0.00 0.67 2.13 0.00 0.00 0.00 0.00 175.76 178.56 2a31 h ALA 56 N 4.46 1.93 0.00 0.00 0.00 -1.68 -1.67 119.26 122.30 2a31 h ALA 56 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2a31 h ALA 56 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2a31 h ALA 56 CO 0.62 0.07 0.00 -2.39 0.00 0.00 0.00 179.25 177.55 2a31 n HIS 57 N -4.52 0.00 1.02 0.00 1.44 -1.26 -1.49 115.22 110.40 2a31 n HIS 57 Ca -0.02 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.74 2a31 n HIS 57 Cb 0.09 -0.43 0.13 0.00 0.12 0.00 0.00 29.99 29.91 2a31 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2a31 s TYR 59 N -1.60 2.78 0.07 0.00 5.04 -0.56 -5.00 117.35 118.08 2a31 s TYR 59 Ca 0.20 0.66 0.02 0.00 -2.44 0.00 0.00 57.07 55.52 2a31 s TYR 59 Cb 0.11 -4.09 -0.03 0.00 0.35 0.00 0.00 41.96 38.29 2a31 s TYR 59 CO 0.14 -3.80 -0.07 0.15 -1.34 0.00 0.00 175.55 170.62 2a31 s LYS 60 N -0.08 0.67 0.45 4.97 -0.14 -1.26 -5.07 119.74 119.28 2a31 s LYS 60 Ca 0.66 -1.01 0.25 0.00 -1.36 0.00 0.00 55.97 54.52 2a31 s LYS 60 Cb -0.48 -0.27 0.71 0.00 -1.68 0.00 0.00 37.83 36.10 2a31 s LYS 60 CO 0.44 0.03 1.74 0.66 -0.76 0.00 0.00 175.35 177.45 2a31 h SER 61 N 3.85 0.00 -3.50 2.83 4.64 -2.01 -3.43 113.55 115.93 2a31 h SER 61 Ca -0.36 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.50 2a31 h SER 61 Cb 1.19 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.94 2a31 h SER 61 CO 0.51 0.10 -0.80 -0.13 -0.87 0.00 0.00 176.83 175.64 2a31 s ARG 62 N -3.39 1.30 -0.03 4.77 0.52 -1.26 -5.00 118.95 115.86 2a31 s ARG 62 Ca 0.04 -0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 54.94 2a31 s ARG 62 Cb 0.07 -1.14 0.02 0.00 0.52 0.00 0.00 34.95 34.43 2a31 s ARG 62 CO 0.64 0.01 0.07 0.42 0.02 0.00 0.00 175.30 176.46 2a31 s ILE 63 N 0.66 -0.03 -0.21 1.52 1.01 -1.26 -4.78 121.20 118.10 2a31 s ILE 63 Ca -0.12 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 2a31 s ILE 63 Cb -0.14 -0.13 -0.05 0.00 0.01 0.00 0.00 42.46 42.15 2a31 s ILE 63 CO 0.02 0.05 0.12 -1.58 0.00 0.00 0.00 174.94 173.55 2a31 s GLN 64 N 0.71 4.05 -0.12 2.79 0.74 -0.38 -0.76 119.66 126.69 2a31 s GLN 64 Ca -0.06 -0.29 -0.20 0.00 0.05 0.00 0.00 55.36 54.87 2a31 s GLN 64 Cb -0.08 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.59 2a31 s GLN 64 CO -0.03 0.17 0.56 0.08 -0.55 0.00 0.00 175.29 175.52 2a31 s VAL 65 N 0.72 5.12 -0.29 1.34 1.01 0.19 -0.74 120.40 127.76 2a31 s VAL 65 Ca 0.06 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.13 2a31 s VAL 65 Cb -0.13 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2a31 s VAL 65 CO 0.02 0.26 0.01 -0.13 0.00 0.00 0.00 175.10 175.25 2a31 s ARG 66 N 0.95 2.62 0.26 2.72 0.52 0.00 -0.86 118.95 125.17 2a31 s ARG 66 Ca 0.29 -1.14 0.07 0.00 -0.52 0.00 0.00 55.73 54.43 2a31 s ARG 66 Cb -0.16 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 2a31 s ARG 66 CO 0.12 -0.55 0.23 -0.51 0.02 0.00 0.00 175.30 174.61 2a31 s LEU 67 N 1.32 3.85 -0.31 2.53 1.02 0.12 -1.48 118.68 125.72 2a31 s LEU 67 Ca -0.03 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.88 2a31 s LEU 67 Cb -0.19 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.62 2a31 s LEU 67 CO -0.01 -0.09 0.00 0.61 0.02 0.00 0.00 176.35 176.88 2a31 n GLY 69 N -1.24 0.56 3.84 -3.19 0.00 -1.26 -1.17 105.19 102.72 2a31 n GLY 69 Ca -0.07 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2a31 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a31 s GLU 70 N -1.47 4.11 0.02 1.61 0.41 -1.26 -3.87 118.70 118.25 2a31 s GLU 70 Ca 0.00 0.81 0.00 0.00 -0.41 0.00 0.00 54.97 55.37 2a31 s GLU 70 Cb 0.00 -2.47 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 2a31 s GLU 70 CO 0.00 0.16 0.00 1.58 -0.49 0.00 0.00 175.26 176.51 2a31 n HIS 71 N -0.22 -0.06 -2.88 1.61 -0.00 -1.26 -4.62 115.22 107.79 2a31 n HIS 71 Ca 0.03 0.01 -0.43 0.00 -0.00 0.00 0.00 57.72 57.33 2a31 n HIS 71 Cb 0.53 0.06 -0.05 0.00 -0.00 0.00 0.00 29.99 30.53 2a31 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2a31 s ASN 72 N -5.06 6.44 0.00 0.26 3.84 -1.26 -2.56 114.94 116.61 2a31 s ASN 72 Ca 0.00 -0.03 0.25 0.00 0.21 0.00 0.00 52.86 53.28 2a31 s ASN 72 Cb 0.00 -2.42 1.17 0.00 -0.55 0.00 0.00 41.25 39.45 2a31 s ASN 72 CO 0.00 -1.01 1.81 2.30 -2.79 0.00 0.00 177.10 177.41 2a31 n ILE 73 N 6.28 0.26 0.89 -5.21 -5.35 -0.60 -2.68 119.36 112.95 2a31 n ILE 73 Ca 0.04 0.06 0.10 0.00 -0.27 0.00 0.00 62.75 62.68 2a31 n ILE 73 Cb 0.48 -0.65 0.01 0.00 -1.74 0.00 0.00 39.64 37.74 2a31 n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2a31 n ASP 74 N -1.37 1.97 -3.93 7.28 8.00 -1.26 -4.92 116.55 122.31 2a31 n ASP 74 Ca 0.09 -1.49 -0.19 0.00 0.71 0.00 0.00 54.79 53.92 2a31 n ASP 74 Cb 0.23 0.43 -0.16 0.00 -0.02 0.00 0.00 41.12 41.60 2a31 n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2a31 s VAL 75 N -2.20 0.53 -0.61 2.53 1.01 -1.09 -5.10 120.40 115.46 2a31 s VAL 75 Ca 0.17 -0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 2a31 s VAL 75 Cb 0.16 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 36.06 2a31 s VAL 75 CO 0.48 0.19 1.25 -0.22 0.00 0.00 0.00 175.10 176.80 2a31 s LEU 76 N 0.45 3.38 0.00 3.92 2.96 -1.26 -4.67 118.68 123.46 2a31 s LEU 76 Ca -0.06 0.02 0.21 0.00 -0.22 0.00 0.00 54.13 54.08 2a31 s LEU 76 Cb -0.10 -3.02 -0.13 0.00 0.50 0.00 0.00 46.19 43.44 2a31 s LEU 76 CO 0.00 -1.59 0.93 -0.62 -1.32 0.00 0.00 176.35 173.75 2a31 n GLU 77 N 8.67 0.75 0.00 1.98 1.02 -1.26 -5.00 120.64 126.80 2a31 n GLU 77 Ca 0.08 -0.40 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 2a31 n GLU 77 Cb 0.49 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 2a31 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a31 n GLY 78 N 1.43 2.03 0.13 0.62 0.00 -1.26 -4.92 105.19 103.21 2a31 n GLY 78 Ca 0.06 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.74 2a31 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a31 n ASN 79 N 0.13 0.40 -4.77 1.61 3.02 -1.26 -4.91 115.26 109.47 2a31 n ASN 79 Ca 0.00 -1.14 -0.34 0.00 -0.03 0.00 0.00 54.58 53.07 2a31 n ASN 79 Cb 0.00 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 2a31 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2a31 s GLU 80 N -2.00 3.09 -0.14 3.52 8.01 -1.25 -4.42 118.70 125.51 2a31 s GLU 80 Ca 0.45 1.47 0.00 0.00 0.01 0.00 0.00 54.97 56.90 2a31 s GLU 80 Cb 0.22 -1.98 0.02 0.00 -4.31 0.00 0.00 34.13 28.08 2a31 s GLU 80 CO 0.36 -1.03 -0.13 -0.65 0.01 0.00 0.00 175.26 173.82 2a31 s GLN 81 N -3.74 2.12 -0.26 1.61 -0.21 -0.32 -4.97 119.66 113.90 2a31 s GLN 81 Ca 0.69 -0.49 -0.08 0.00 0.02 0.00 0.00 55.36 55.50 2a31 s GLN 81 Cb -0.21 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.80 2a31 s GLN 81 CO 0.35 -0.22 0.10 -0.06 -2.12 0.00 0.00 175.29 173.33 2a31 s PHE 82 N 1.47 3.12 -0.04 0.91 0.08 -1.26 -0.71 117.98 121.55 2a31 s PHE 82 Ca 0.04 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 2a31 s PHE 82 Cb -0.13 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2a31 s PHE 82 CO -0.09 -0.31 0.03 0.42 -0.10 0.00 0.00 175.22 175.16 2a31 s ILE 83 N 1.65 0.09 0.50 0.64 1.01 -0.04 -4.99 121.20 120.05 2a31 s ILE 83 Ca 0.07 0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.74 2a31 s ILE 83 Cb -0.15 -0.27 -0.07 0.00 0.01 0.00 0.00 42.46 41.98 2a31 s ILE 83 CO 0.05 0.18 1.12 0.20 0.00 0.00 0.00 174.94 176.49 2a31 s ASN 84 N 1.69 6.05 0.17 3.58 0.01 -1.26 -0.63 114.94 124.55 2a31 s ASN 84 Ca -0.01 2.16 -0.31 0.00 -0.71 0.00 0.00 52.86 54.00 2a31 s ASN 84 Cb -0.13 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 38.86 2a31 s ASN 84 CO -0.03 -0.99 1.39 0.00 -1.51 0.00 0.00 177.10 175.96 2a31 s ALA 85 N -1.72 3.59 -0.10 0.60 0.00 0.06 -1.04 121.76 123.15 2a31 s ALA 85 Ca 0.68 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.88 2a31 s ALA 85 Cb -0.24 -3.53 -0.24 0.00 0.00 0.00 0.00 23.12 19.11 2a31 s ALA 85 CO 0.28 -0.62 0.44 0.00 0.00 0.00 0.00 175.76 175.86 2a31 n ALA 86 N 3.24 1.33 -3.04 0.00 0.00 0.96 -4.76 120.51 118.24 2a31 n ALA 86 Ca 0.09 -0.82 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 2a31 n ALA 86 Cb 0.42 -0.66 -0.12 0.00 0.00 0.00 0.00 19.45 19.09 2a31 n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2a31 s LYS 87 N -2.57 0.29 -0.16 0.00 1.02 -1.16 -4.98 119.74 112.18 2a31 s LYS 87 Ca -0.12 -0.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.76 2a31 s LYS 87 Cb 0.07 0.12 0.05 0.00 -0.52 0.00 0.00 37.83 37.56 2a31 s LYS 87 CO 0.80 -0.06 0.03 0.42 -0.92 0.00 0.00 175.35 175.62 2a31 s ILE 88 N -0.56 0.43 -0.25 2.17 1.01 -1.26 -0.84 121.20 121.90 2a31 s ILE 88 Ca -0.06 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2a31 s ILE 88 Cb -0.04 -0.86 0.07 0.00 0.01 0.00 0.00 42.46 41.63 2a31 s ILE 88 CO 0.01 -0.09 -0.05 -0.63 0.00 0.00 0.00 174.94 174.18 2a31 s ILE 89 N 1.91 1.72 0.40 2.92 1.01 0.15 -4.99 121.20 124.33 2a31 s ILE 89 Ca 0.01 -1.43 -0.19 0.00 0.00 0.00 0.00 60.65 59.04 2a31 s ILE 89 Cb -0.16 -1.99 -0.10 0.00 0.01 0.00 0.00 42.46 40.23 2a31 s ILE 89 CO -0.07 -0.15 0.89 -0.89 0.00 0.00 0.00 174.94 174.71 2a31 s THR 90 N 1.29 4.49 0.20 2.92 2.01 -1.26 -0.51 115.64 124.78 2a31 s THR 90 Ca -0.04 1.30 -0.32 0.00 0.31 0.00 0.00 61.69 62.93 2a31 s THR 90 Cb -0.19 -3.61 -0.13 0.00 0.01 0.00 0.00 72.50 68.58 2a31 s THR 90 CO -0.07 -0.31 1.67 1.57 -0.69 0.00 0.00 174.62 176.79 2a31 n HIS 91 N -0.64 2.63 0.32 4.92 -0.00 -0.47 -4.85 115.22 117.12 2a31 n HIS 91 Ca 0.06 0.12 0.19 0.00 0.46 0.00 0.00 57.72 58.55 2a31 n HIS 91 Cb 0.54 -2.63 1.06 0.00 -0.12 0.00 0.00 29.99 28.84 2a31 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2a31 h PRO 92 N 6.33 0.00 -0.45 1.57 0.13 -1.93 -1.82 132.00 135.83 2a31 h PRO 92 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2a31 h PRO 92 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2a31 h PRO 92 CO 0.92 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.79 2a31 n ASN 93 N -3.45 4.38 -4.66 1.44 3.02 -1.26 -4.99 115.26 109.73 2a31 n ASN 93 Ca -0.03 -2.69 -0.46 0.00 -0.03 0.00 0.00 54.58 51.37 2a31 n ASN 93 Cb 0.08 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 2a31 n ASN 93 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2a31 n PHE 94 N 0.34 2.15 -4.32 3.10 7.35 -0.69 -4.63 117.46 120.75 2a31 n PHE 94 Ca 0.22 0.37 -0.33 0.00 -0.76 0.00 0.00 57.45 56.95 2a31 n PHE 94 Cb 0.89 -2.49 -0.16 0.00 0.35 0.00 0.00 39.48 38.07 2a31 n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2a31 s ASN 95 N 0.65 3.36 0.18 -2.13 3.84 -0.77 -5.01 114.94 115.06 2a31 s ASN 95 Ca 0.76 -0.57 0.24 0.00 0.21 0.00 0.00 52.86 53.50 2a31 s ASN 95 Cb -0.70 -1.52 0.91 0.00 -0.55 0.00 0.00 41.25 39.39 2a31 s ASN 95 CO 0.43 0.04 1.73 0.61 -2.79 0.00 0.00 177.10 177.12 2a31 n GLY 96 N 4.38 -1.44 0.06 1.21 0.00 -1.26 -0.33 105.19 107.81 2a31 n GLY 96 Ca -0.20 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 2a31 n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2a31 h ASN 97 N 0.00 0.00 1.81 1.61 -0.73 -1.97 -3.40 115.58 112.90 2a31 h ASN 97 Ca 0.00 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.15 2a31 h ASN 97 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.10 2a31 h ASN 97 CO 0.00 0.66 0.00 0.71 -0.37 0.00 0.00 177.43 178.43 2a31 h THR 98 N -1.00 0.00 -0.67 -3.57 1.35 -1.99 -3.47 112.91 103.56 2a31 h THR 98 Ca -0.01 -0.82 -0.29 0.00 -0.55 0.00 0.00 66.41 64.74 2a31 h THR 98 Cb 0.31 1.82 -0.11 0.00 -1.73 0.00 0.00 68.15 68.44 2a31 h THR 98 CO -0.00 0.00 -0.26 0.18 -0.25 0.00 0.00 175.52 175.18 2a31 n LEU 99 N -2.84 -0.95 -4.77 3.87 4.77 0.55 -4.99 117.00 112.64 2a31 n LEU 99 Ca 0.04 0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.98 2a31 n LEU 99 Cb 0.49 -2.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.32 2a31 n LEU 99 CO 0.33 -0.82 1.00 -0.62 -1.33 0.00 0.00 177.39 175.94 2a31 s ASP 100 N -2.74 6.18 -1.29 -1.43 2.15 -1.23 -2.98 116.67 115.33 2a31 s ASP 100 Ca 0.00 2.74 -0.05 0.00 0.43 0.00 0.00 52.55 55.67 2a31 s ASP 100 Cb 0.00 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 2a31 s ASP 100 CO 0.00 -0.95 1.10 0.59 -0.17 0.00 0.00 175.17 175.74 2a31 n ASN 101 N 0.04 -4.40 -4.56 -0.34 3.02 -1.26 -1.85 115.26 105.91 2a31 n ASN 101 Ca 0.04 -0.58 -0.43 0.00 -0.03 0.00 0.00 54.58 53.58 2a31 n ASN 101 Cb 0.43 -5.06 -0.00 0.00 -0.61 0.00 0.00 39.78 34.54 2a31 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2a31 s ASP 102 N -3.79 6.87 -0.15 6.41 2.15 -1.16 -4.15 116.67 122.85 2a31 s ASP 102 Ca 0.32 -2.52 -0.16 0.00 0.43 0.00 0.00 52.55 50.63 2a31 s ASP 102 Cb -0.14 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.97 2a31 s ASP 102 CO 0.73 -1.10 0.43 -0.51 -0.17 0.00 0.00 175.17 174.55 2a31 s ILE 103 N 3.76 0.01 -0.07 4.11 2.07 -1.26 -3.94 121.20 125.88 2a31 s ILE 103 Ca 0.52 -0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.60 2a31 s ILE 103 Cb 0.03 -0.63 0.02 0.00 0.13 0.00 0.00 42.46 42.01 2a31 s ILE 103 CO 0.06 -0.03 0.28 -0.32 -1.91 0.00 0.00 174.94 173.02 2a31 s MET 104 N 0.03 0.44 -0.04 3.50 -2.45 -0.31 -1.37 119.30 119.09 2a31 s MET 104 Ca -0.02 0.17 0.03 0.00 -1.25 0.00 0.00 55.69 54.63 2a31 s MET 104 Cb -0.03 0.20 -0.03 0.00 1.25 0.00 0.00 34.83 36.22 2a31 s MET 104 CO 0.01 -0.08 -0.13 -0.51 1.05 0.00 0.00 175.02 175.36 2a31 s LEU 105 N -0.38 2.84 -0.15 4.11 1.43 0.34 -0.49 118.68 126.37 2a31 s LEU 105 Ca -0.05 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2a31 s LEU 105 Cb -0.03 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.61 2a31 s LEU 105 CO 0.01 0.33 -0.15 -0.63 0.23 0.00 0.00 176.35 176.14 2a31 s ILE 106 N -0.79 1.66 -0.14 -0.59 1.01 0.35 -0.67 121.20 122.03 2a31 s ILE 106 Ca 0.13 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 2a31 s ILE 106 Cb -0.11 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 2a31 s ILE 106 CO 0.02 0.47 0.57 -0.75 0.00 0.00 0.00 174.94 175.26 2a31 s LYS 107 N 1.43 4.31 0.35 2.79 2.20 -0.02 -1.13 119.74 129.67 2a31 s LYS 107 Ca 0.04 0.59 -0.27 0.00 -0.36 0.00 0.00 55.97 55.98 2a31 s LYS 107 Cb -0.13 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 2a31 s LYS 107 CO -0.11 -0.01 1.13 -0.51 -0.36 0.00 0.00 175.35 175.49 2a31 s LEU 108 N 1.13 4.33 0.49 5.43 1.43 0.31 -0.03 118.68 131.77 2a31 s LEU 108 Ca 0.29 2.28 0.28 0.00 -1.03 0.00 0.00 54.13 55.95 2a31 s LEU 108 Cb -0.16 -3.88 1.13 0.00 0.03 0.00 0.00 46.19 43.31 2a31 s LEU 108 CO 0.12 -0.43 1.91 0.28 0.23 0.00 0.00 176.35 178.46 2a31 h SER 109 N 3.10 0.00 -4.93 2.29 0.02 -1.39 -3.42 113.55 109.22 2a31 h SER 109 Ca -0.48 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.29 2a31 h SER 109 Cb 1.22 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.59 2a31 h SER 109 CO 0.64 0.14 -0.70 -0.44 -1.14 0.00 0.00 176.83 175.34 2a31 s SER 110 N -6.02 0.71 0.39 3.07 0.01 -1.26 -4.99 113.70 105.60 2a31 s SER 110 Ca 0.00 -0.86 -0.27 0.00 1.31 0.00 0.00 55.95 56.13 2a31 s SER 110 Cb 0.10 0.13 -0.10 0.00 0.21 0.00 0.00 66.02 66.36 2a31 s SER 110 CO 0.60 -0.46 1.36 -2.84 0.41 0.00 0.00 173.24 172.32 2a31 s PRO 111 N -3.18 4.05 0.53 12.44 0.02 -1.26 -4.89 135.00 142.71 2a31 s PRO 111 Ca 0.03 2.31 -0.22 0.00 0.02 0.00 0.00 61.00 63.13 2a31 s PRO 111 Cb 0.02 -2.86 -0.05 0.00 0.02 0.00 0.00 34.50 31.62 2a31 s PRO 111 CO -0.05 -0.48 1.38 0.00 -0.33 0.00 0.00 177.00 177.51 2a31 s ALA 112 N -1.19 2.90 -0.27 -1.55 0.00 0.31 -4.98 121.76 116.98 2a31 s ALA 112 Ca 0.55 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.71 2a31 s ALA 112 Cb -0.41 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 2a31 s ALA 112 CO 0.54 -1.35 0.43 0.99 0.00 0.00 0.00 175.76 176.37 2a31 s THR 113 N -1.28 5.13 -0.04 0.00 2.01 -1.26 -4.86 115.64 115.34 2a31 s THR 113 Ca 0.70 0.68 -0.17 0.00 0.31 0.00 0.00 61.69 63.20 2a31 s THR 113 Cb -0.41 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 2a31 s THR 113 CO 0.50 0.11 0.48 -0.76 -0.69 0.00 0.00 174.62 174.26 2a31 s LEU 114 N 2.17 4.40 0.00 4.42 1.43 -1.26 -4.73 118.68 125.11 2a31 s LEU 114 Ca 0.17 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 2a31 s LEU 114 Cb -0.16 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.35 2a31 s LEU 114 CO 0.10 0.16 0.00 -0.46 0.23 0.00 0.00 176.35 176.38 2a31 n ASN 115 N 2.66 0.00 0.21 2.29 0.23 -0.06 -4.99 115.26 115.59 2a31 n ASN 115 Ca -0.10 -0.71 0.05 0.00 -0.53 0.00 0.00 54.58 53.28 2a31 n ASN 115 Cb 0.52 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.66 2a31 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2a31 h SER 116 N 0.00 0.00 0.13 0.53 4.64 -1.99 -3.17 113.55 113.69 2a31 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a31 h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2a31 h SER 116 CO 0.00 0.28 -1.29 0.54 -0.87 0.00 0.00 176.83 175.49 2a31 n ARG 117 N -4.10 0.27 -3.87 4.77 1.74 -1.26 -4.77 116.66 109.44 2a31 n ARG 117 Ca -0.02 -0.06 -0.27 0.00 -0.77 0.00 0.00 57.85 56.73 2a31 n ARG 117 Cb 0.34 -1.53 -0.17 0.00 -1.02 0.00 0.00 32.46 30.08 2a31 n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2a31 s VAL 118 N -3.21 0.97 0.02 1.55 1.01 -1.20 -4.22 120.40 115.33 2a31 s VAL 118 Ca 0.02 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 2a31 s VAL 118 Cb 0.15 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2a31 s VAL 118 CO 0.86 0.17 0.34 0.00 0.00 0.00 0.00 175.10 176.47 2a31 s ALA 119 N 1.70 -0.81 0.61 5.51 0.00 -0.86 -0.89 121.76 127.02 2a31 s ALA 119 Ca 0.02 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 2a31 s ALA 119 Cb -0.14 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2a31 s ALA 119 CO -0.08 -0.38 1.03 0.95 0.00 0.00 0.00 175.76 177.28 2a31 s THR 120 N -2.14 4.60 -0.07 0.00 -4.23 -1.26 -3.02 115.64 109.52 2a31 s THR 120 Ca -0.08 0.92 0.03 0.00 -1.18 0.00 0.00 61.69 61.39 2a31 s THR 120 Cb -0.02 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.01 2a31 s THR 120 CO -0.01 -1.03 -0.16 0.54 -0.54 0.00 0.00 174.62 173.43 2a31 s VAL 121 N -3.05 2.88 0.48 2.29 0.11 -0.49 -4.84 120.40 117.77 2a31 s VAL 121 Ca 0.56 -0.77 -0.24 0.00 -2.93 0.00 0.00 61.98 58.60 2a31 s VAL 121 Cb -0.11 -2.13 -0.07 0.00 -1.53 0.00 0.00 36.38 32.54 2a31 s VAL 121 CO 0.50 0.57 1.39 -0.55 -3.33 0.00 0.00 175.10 173.68 2a31 s SER 122 N -0.40 5.69 0.80 3.54 0.15 -1.25 -4.61 113.70 117.63 2a31 s SER 122 Ca 0.04 2.84 -0.11 0.00 0.70 0.00 0.00 55.95 59.42 2a31 s SER 122 Cb -0.12 -2.65 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 2a31 s SER 122 CO 0.02 -1.29 1.09 -0.76 1.20 0.00 0.00 173.24 173.49 2a31 s LEU 123 N -2.99 2.70 0.30 3.45 1.43 -1.26 -0.95 118.68 121.35 2a31 s LEU 123 Ca 0.64 1.53 -0.29 0.00 -1.03 0.00 0.00 54.13 54.99 2a31 s LEU 123 Cb -0.42 -4.16 -0.10 0.00 0.03 0.00 0.00 46.19 41.54 2a31 s LEU 123 CO 0.53 -2.08 1.28 -2.84 0.23 0.00 0.00 176.35 173.47 2a31 s PRO 124 N -5.01 4.40 0.14 1.29 0.02 -1.26 -4.67 135.00 129.91 2a31 s PRO 124 Ca 0.61 2.13 0.12 0.00 0.02 0.00 0.00 61.00 63.88 2a31 s PRO 124 Cb -0.16 -3.11 -0.11 0.00 0.02 0.00 0.00 34.50 31.14 2a31 s PRO 124 CO 0.56 -0.15 1.18 0.00 -0.33 0.00 0.00 177.00 178.26 2a31 h ARG 125 N 3.86 0.00 -3.64 5.54 3.08 -1.96 -3.48 114.38 117.78 2a31 h ARG 125 Ca -0.48 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.49 2a31 h ARG 125 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.19 2a31 h ARG 125 CO 0.68 0.65 -0.08 -1.54 -1.07 0.00 0.00 179.97 178.61 2a31 s SER 127 N -6.40 0.06 0.74 7.04 1.04 -1.26 -5.15 113.70 109.76 2a31 s SER 127 Ca 0.01 -1.01 -0.11 0.00 0.48 0.00 0.00 55.95 55.32 2a31 s SER 127 Cb 0.09 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.87 2a31 s SER 127 CO 0.79 -1.22 1.07 0.00 0.98 0.00 0.00 173.24 174.87 2a31 s ALA 129 N -3.00 3.66 0.64 0.00 0.00 -1.26 -5.07 121.76 116.73 2a31 s ALA 129 Ca 0.60 -0.20 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 2a31 s ALA 129 Cb -0.15 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 2a31 s ALA 129 CO 0.55 0.48 1.17 0.00 0.00 0.00 0.00 175.76 177.96 2a31 s ALA 130 N -1.27 2.43 0.39 0.00 0.00 -1.26 -4.96 121.76 117.09 2a31 s ALA 130 Ca 0.30 0.80 -0.27 0.00 0.00 0.00 0.00 51.96 52.80 2a31 s ALA 130 Cb -0.16 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 2a31 s ALA 130 CO 0.17 -1.33 1.32 0.00 0.00 0.00 0.00 175.76 175.91 2a31 n ALA 132 N -2.11 1.49 -0.26 0.00 0.00 -1.26 -2.16 120.51 116.21 2a31 n ALA 132 Ca 0.12 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2a31 n ALA 132 Cb 0.51 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2a31 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a31 n GLY 133 N 0.73 1.28 3.75 0.00 0.00 -0.03 -4.98 105.19 105.93 2a31 n GLY 133 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2a31 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a31 s THR 134 N -2.83 2.33 0.15 2.61 2.01 -0.92 -4.62 115.64 114.37 2a31 s THR 134 Ca 0.00 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 2a31 s THR 134 Cb 0.00 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 69.27 2a31 s THR 134 CO 0.00 0.04 0.94 -1.61 -0.69 0.00 0.00 174.62 173.30 2a31 s GLU 135 N -0.33 4.73 0.23 4.92 2.02 -1.26 -1.02 118.70 127.99 2a31 s GLU 135 Ca 0.62 1.44 0.02 0.00 0.02 0.00 0.00 54.97 57.06 2a31 s GLU 135 Cb -0.45 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.38 2a31 s GLU 135 CO 0.45 0.31 0.06 0.00 0.02 0.00 0.00 175.26 176.10 2a31 s LEU 137 N -3.28 2.00 -0.07 0.00 2.96 0.31 -1.21 118.68 119.39 2a31 s LEU 137 Ca 0.33 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2a31 s LEU 137 Cb 0.07 -1.36 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 2a31 s LEU 137 CO 0.11 0.03 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.41 2a31 s ILE 138 N 1.05 3.17 0.05 6.68 1.01 -0.02 -1.42 121.20 131.72 2a31 s ILE 138 Ca -0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 2a31 s ILE 138 Cb -0.14 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2a31 s ILE 138 CO -0.06 0.57 0.09 -0.94 0.00 0.00 0.00 174.94 174.60 2a31 s SER 139 N -0.46 0.23 0.00 3.58 1.04 -1.18 -0.68 113.70 116.22 2a31 s SER 139 Ca 0.06 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2a31 s SER 139 Cb -0.12 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2a31 s SER 139 CO 0.02 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2a31 n GLY 140 N 0.50 -0.12 1.65 7.32 0.00 -0.40 -4.33 105.19 109.81 2a31 n GLY 140 Ca -0.17 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.75 2a31 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2a31 n TRP 141 N -0.54 1.91 -1.44 1.61 8.01 -1.26 -1.78 117.44 123.95 2a31 n TRP 141 Ca 0.00 -1.06 -0.19 0.00 -1.31 0.00 0.00 57.50 54.95 2a31 n TRP 141 Cb 0.00 -0.55 0.13 0.00 -2.01 0.00 0.00 31.31 28.89 2a31 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2a31 n GLY 142 N -0.15 -1.62 3.70 6.99 0.00 -1.24 -4.30 105.19 108.56 2a31 n GLY 142 Ca 0.33 -1.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.26 2a31 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2a31 n ASN 143 N -3.66 3.18 -0.41 1.61 2.85 0.06 -3.11 115.26 115.77 2a31 n ASN 143 Ca 0.10 1.14 0.09 0.00 -0.11 0.00 0.00 54.58 55.81 2a31 n ASN 143 Cb 0.36 -1.49 -0.01 0.00 1.24 0.00 0.00 39.78 39.89 2a31 n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2a31 n THR 144 N 2.09 0.00 -4.29 -0.44 -2.24 -0.45 -0.79 114.28 108.17 2a31 n THR 144 Ca 0.11 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 2a31 n THR 144 Cb 0.33 1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 69.69 2a31 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2a31 s LYS 145 N -2.23 2.84 0.01 -0.78 1.02 -1.26 -4.35 119.74 115.00 2a31 s LYS 145 Ca 0.15 -0.57 0.25 0.00 0.02 0.00 0.00 55.97 55.83 2a31 s LYS 145 Cb 0.16 -2.71 0.55 0.00 -0.52 0.00 0.00 37.83 35.31 2a31 s LYS 145 CO 0.51 0.64 1.45 -1.13 -0.92 0.00 0.00 175.35 175.89 2a31 n SER 146 N 1.51 0.48 -3.62 2.83 3.41 -1.26 -4.67 113.62 112.30 2a31 n SER 146 Ca -0.15 -0.14 -0.16 0.00 -0.26 0.00 0.00 58.87 58.15 2a31 n SER 146 Cb 0.53 0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 64.52 2a31 n SER 146 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2a31 s SER 147 N -3.14 0.83 0.00 4.04 0.01 -1.26 -4.96 113.70 109.22 2a31 s SER 147 Ca 0.11 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2a31 s SER 147 Cb 0.17 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2a31 s SER 147 CO 0.69 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.68 2a31 n GLY 148 N 5.33 -1.10 3.07 3.44 0.00 -1.26 -4.96 105.19 109.71 2a31 n GLY 148 Ca -0.05 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 2a31 n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a31 s SER 149 N -4.00 -0.01 -0.12 1.61 0.01 -1.26 -4.67 113.70 105.27 2a31 s SER 149 Ca 0.00 0.62 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 2a31 s SER 149 Cb 0.00 0.64 0.05 0.00 0.21 0.00 0.00 66.02 66.93 2a31 s SER 149 CO 0.00 -0.21 0.25 -0.55 0.41 0.00 0.00 173.24 173.15 2a31 s SER 150 N 1.90 0.03 -0.30 2.44 0.15 -1.26 -4.97 113.70 111.68 2a31 s SER 150 Ca -0.04 0.55 -0.05 0.00 0.70 0.00 0.00 55.95 57.11 2a31 s SER 150 Cb -0.11 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 2a31 s SER 150 CO -0.09 -0.20 0.06 -0.31 1.20 0.00 0.00 173.24 173.90 2a31 s TYR 151 N 1.79 3.18 0.59 3.44 1.51 -1.26 -1.34 117.35 125.25 2a31 s TYR 151 Ca -0.04 -1.28 -0.17 0.00 -1.01 0.00 0.00 57.07 54.57 2a31 s TYR 151 Cb -0.11 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 2a31 s TYR 151 CO -0.08 -0.67 1.07 -1.25 -1.11 0.00 0.00 175.55 173.51 2a31 s PRO 152 N 1.42 3.29 0.10 -1.71 0.04 -1.26 -4.97 135.00 131.91 2a31 s PRO 152 Ca 0.00 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.25 2a31 s PRO 152 Cb -0.18 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.18 2a31 s PRO 152 CO 0.01 -0.85 1.26 0.66 0.04 0.00 0.00 177.00 178.12 2a31 h SER 153 N 0.60 0.78 -2.80 6.66 4.64 -1.94 -3.47 113.55 118.02 2a31 h SER 153 Ca -0.48 -0.60 -0.65 0.00 -0.47 0.00 0.00 61.79 59.60 2a31 h SER 153 Cb 1.23 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 2a31 h SER 153 CO 0.57 1.40 -0.50 -0.76 -0.87 0.00 0.00 176.83 176.67 2a31 s LEU 154 N -8.02 4.32 0.27 5.97 1.43 -1.26 -1.55 118.68 119.83 2a31 s LEU 154 Ca -0.08 0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 2a31 s LEU 154 Cb 0.08 -2.43 -0.11 0.00 0.03 0.00 0.00 46.19 43.76 2a31 s LEU 154 CO 0.90 0.30 1.61 -0.22 0.23 0.00 0.00 176.35 179.17 2a31 s LEU 155 N -1.67 4.35 0.13 1.79 2.96 -1.06 -4.88 118.68 120.31 2a31 s LEU 155 Ca 0.23 2.91 0.05 0.00 -0.22 0.00 0.00 54.13 57.10 2a31 s LEU 155 Cb -0.12 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 2a31 s LEU 155 CO 0.14 -0.91 0.09 -1.10 -1.32 0.00 0.00 176.35 173.25 2a31 s GLN 156 N -0.09 2.82 0.06 1.98 -1.52 -0.74 -1.28 119.66 120.90 2a31 s GLN 156 Ca 0.66 -0.83 0.03 0.00 -1.95 0.00 0.00 55.36 53.27 2a31 s GLN 156 Cb -0.48 -2.64 -0.03 0.00 -0.22 0.00 0.00 33.01 29.65 2a31 s GLN 156 CO 0.44 0.51 -0.10 0.00 -0.25 0.00 0.00 175.29 175.89 2a31 s LEU 158 N -1.78 0.15 -0.09 0.00 2.96 0.14 -1.15 118.68 118.91 2a31 s LEU 158 Ca -0.05 0.73 -0.20 0.00 -0.22 0.00 0.00 54.13 54.39 2a31 s LEU 158 Cb -0.09 1.08 -0.04 0.00 0.50 0.00 0.00 46.19 47.64 2a31 s LEU 158 CO 0.01 -0.18 0.57 -0.54 -1.32 0.00 0.00 176.35 174.89 2a31 s LYS 159 N 1.30 4.37 -0.03 1.98 1.02 -1.26 -0.84 119.74 126.29 2a31 s LYS 159 Ca -0.09 0.64 -0.22 0.00 0.02 0.00 0.00 55.97 56.32 2a31 s LYS 159 Cb -0.09 -3.43 0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2a31 s LYS 159 CO -0.10 0.14 0.47 0.00 -0.92 0.00 0.00 175.35 174.94 2a31 s ALA 160 N 0.61 -1.21 0.12 5.17 0.00 -0.35 -4.98 121.76 121.13 2a31 s ALA 160 Ca 0.31 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2a31 s ALA 160 Cb -0.16 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2a31 s ALA 160 CO 0.14 -0.31 0.28 -1.25 0.00 0.00 0.00 175.76 174.61 2a31 s PRO 161 N -1.28 3.47 0.11 0.00 0.04 -1.26 -0.74 135.00 135.34 2a31 s PRO 161 Ca -0.12 -0.44 -0.31 0.00 0.04 0.00 0.00 61.00 60.17 2a31 s PRO 161 Cb -0.03 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 31.44 2a31 s PRO 161 CO 0.07 0.54 1.80 0.08 0.04 0.00 0.00 177.00 179.52 2a31 s VAL 162 N -1.65 2.62 0.52 -0.36 1.01 -0.19 -1.51 120.40 120.84 2a31 s VAL 162 Ca 0.36 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 2a31 s VAL 162 Cb -0.12 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 2a31 s VAL 162 CO 0.28 -0.00 0.95 -0.76 0.00 0.00 0.00 175.10 175.57 2a31 s LEU 163 N 2.73 3.58 0.77 3.92 1.43 -0.08 -0.85 118.68 130.17 2a31 s LEU 163 Ca 0.80 1.44 -0.15 0.00 -1.03 0.00 0.00 54.13 55.19 2a31 s LEU 163 Cb -0.45 -4.39 0.02 0.00 0.03 0.00 0.00 46.19 41.39 2a31 s LEU 163 CO 0.36 -0.61 0.83 -1.54 0.23 0.00 0.00 176.35 175.61 2a31 n SER 164 N -1.80 -0.19 -0.16 2.29 3.41 -1.26 -4.74 113.62 111.17 2a31 n SER 164 Ca 0.05 0.58 -0.05 0.00 -0.26 0.00 0.00 58.87 59.20 2a31 n SER 164 Cb 0.54 -1.35 0.12 0.00 -0.26 0.00 0.00 64.21 63.26 2a31 n SER 164 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2a31 h ASP 165 N -0.60 0.87 -0.33 4.04 3.32 -1.98 -0.72 116.42 121.02 2a31 h ASP 165 Ca -0.46 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.27 2a31 h ASP 165 Cb 1.32 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2a31 h ASP 165 CO 0.44 0.90 -0.22 0.77 -1.72 0.00 0.00 179.24 179.41 2a31 h SER 166 N 0.86 0.83 -0.46 6.45 4.64 -1.99 -1.38 113.55 122.50 2a31 h SER 166 Ca 0.17 -0.30 -0.13 0.00 -0.47 0.00 0.00 61.79 61.06 2a31 h SER 166 Cb 0.43 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2a31 h SER 166 CO 0.01 1.02 -0.24 0.28 -0.87 0.00 0.00 176.83 177.04 2a31 h SER 167 N 0.71 1.01 0.28 4.97 0.02 -1.82 -1.70 113.55 117.02 2a31 h SER 167 Ca 0.10 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2a31 h SER 167 Cb 0.74 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2a31 h SER 167 CO 0.06 1.19 -0.14 0.00 -1.14 0.00 0.00 176.83 176.81 2a31 h LYS 169 N -0.89 0.00 0.00 0.00 1.57 -1.31 -2.32 116.57 113.62 2a31 h LYS 169 Ca -0.04 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 2a31 h LYS 169 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2a31 h LYS 169 CO 0.06 0.34 -0.51 0.77 -0.57 0.00 0.00 179.45 179.54 2a31 h SER 170 N 0.00 0.00 0.87 0.86 0.02 -1.42 -2.98 113.55 110.90 2a31 h SER 170 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2a31 h SER 170 Cb 0.83 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2a31 h SER 170 CO 0.04 0.51 -0.44 0.28 -1.14 0.00 0.00 176.83 176.08 2a31 h SER 171 N 0.00 0.00 -2.04 3.07 0.02 -1.36 -3.37 113.55 109.86 2a31 h SER 171 Ca -0.01 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2a31 h SER 171 Cb 0.94 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.08 2a31 h SER 171 CO 0.07 0.44 -1.05 -1.22 -1.14 0.00 0.00 176.83 173.94 2a31 n TYR 172 N -3.54 0.06 -1.65 3.45 4.02 -1.13 -4.87 117.16 113.49 2a31 n TYR 172 Ca -0.00 -3.62 -0.47 0.00 -0.01 0.00 0.00 57.90 53.80 2a31 n TYR 172 Cb 0.56 -0.35 -0.05 0.00 -0.02 0.00 0.00 39.34 39.49 2a31 n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2a31 n PRO 173 N 1.42 1.93 -0.86 -0.72 -0.02 -1.17 -1.33 135.00 134.25 2a31 n PRO 173 Ca 0.22 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2a31 n PRO 173 Cb 0.51 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2a31 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a31 n GLY 174 N 3.28 0.63 0.00 -1.23 0.00 -1.26 -4.87 105.19 101.73 2a31 n GLY 174 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 2a31 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a31 n GLN 175 N -1.96 3.18 -3.09 1.61 6.02 -0.44 -4.91 117.38 117.78 2a31 n GLN 175 Ca 0.00 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 2a31 n GLN 175 Cb 0.02 -1.04 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 2a31 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2a31 s ILE 176 N -2.09 4.79 0.93 5.09 -1.09 -1.25 -5.03 121.20 122.55 2a31 s ILE 176 Ca 0.04 -0.01 -0.13 0.00 -2.23 0.00 0.00 60.65 58.32 2a31 s ILE 176 Cb 0.08 -4.26 0.20 0.00 -1.58 0.00 0.00 42.46 36.90 2a31 s ILE 176 CO 0.46 -0.70 1.27 0.42 -1.23 0.00 0.00 174.94 175.16 2a31 s THR 177 N 2.89 2.01 -1.09 2.92 -4.23 -1.26 -4.95 115.64 111.93 2a31 s THR 177 Ca 0.22 -0.14 0.13 0.00 -1.18 0.00 0.00 61.69 60.72 2a31 s THR 177 Cb -0.15 -2.88 0.14 0.00 1.34 0.00 0.00 72.50 70.95 2a31 s THR 177 CO 0.17 0.00 1.40 0.61 -0.54 0.00 0.00 174.62 176.27 2a31 n GLY 178 N -3.61 -0.90 1.75 3.99 0.00 -1.26 -2.49 105.19 102.67 2a31 n GLY 178 Ca 0.16 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.20 2a31 n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a31 n ASN 179 N -1.45 5.43 -4.05 1.61 3.02 -1.26 -4.94 115.26 113.62 2a31 n ASN 179 Ca 0.04 -2.97 -0.16 0.00 -0.03 0.00 0.00 54.58 51.46 2a31 n ASN 179 Cb 0.14 -0.67 -0.13 0.00 -0.61 0.00 0.00 39.78 38.51 2a31 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2a31 s MET 180 N -2.80 0.60 0.12 3.52 -1.94 -1.04 -0.94 119.30 116.82 2a31 s MET 180 Ca 0.53 -0.58 0.05 0.00 -1.71 0.00 0.00 55.69 53.97 2a31 s MET 180 Cb 0.41 -0.50 -0.04 0.00 2.01 0.00 0.00 34.83 36.71 2a31 s MET 180 CO 0.15 0.12 -0.11 0.96 -0.01 0.00 0.00 175.02 176.12 2a31 s ILE 181 N -0.86 1.12 -0.12 2.53 -4.36 -0.18 -4.79 121.20 114.54 2a31 s ILE 181 Ca -0.03 -1.77 -0.06 0.00 -0.26 0.00 0.00 60.65 58.52 2a31 s ILE 181 Cb -0.07 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 2a31 s ILE 181 CO 0.00 -0.56 0.10 0.00 0.24 0.00 0.00 174.94 174.72 2a31 s VAL 183 N -0.88 0.19 -2.66 0.00 1.01 -0.99 -0.91 120.40 116.17 2a31 s VAL 183 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2a31 s VAL 183 Cb -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.99 2a31 s VAL 183 CO 0.03 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2a31 n GLY 184 N 3.95 0.61 3.02 4.51 0.00 -0.57 -3.82 105.19 112.89 2a31 n GLY 184 Ca -0.25 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 2a31 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a31 s PHE 184 N -3.97 -0.32 0.36 1.61 0.40 -1.26 -4.21 117.98 110.58 2a31 s PHE 184 Ca 0.00 0.78 0.22 0.00 -0.60 0.00 0.00 56.93 57.33 2a31 s PHE 184 Cb 0.00 0.00 1.13 0.00 0.51 0.00 0.00 43.02 44.66 2a31 s PHE 184 CO 0.00 -0.25 1.96 -0.07 0.70 0.00 0.00 175.22 177.55 2a31 h LEU 185 N 7.48 0.00-10.05 -0.37 3.38 -1.95 -3.41 115.31 110.40 2a31 h LEU 185 Ca -0.34 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.13 2a31 h LEU 185 Cb 1.14 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.95 2a31 h LEU 185 CO 0.32 0.21 0.44 -1.61 0.09 0.00 0.00 178.44 177.89 2a31 s GLU 186 N -4.12 3.62 0.57 1.13 8.01 -1.26 -0.68 118.70 125.97 2a31 s GLU 186 Ca -0.02 1.60 -0.19 0.00 0.01 0.00 0.00 54.97 56.37 2a31 s GLU 186 Cb 0.13 -2.18 -0.04 0.00 -4.31 0.00 0.00 34.13 27.72 2a31 s GLU 186 CO 0.64 -0.62 1.20 0.20 0.01 0.00 0.00 175.26 176.69 2a31 s GLY 187 N -1.67 2.74 0.00 -1.39 0.00 -1.26 -4.59 107.32 101.15 2a31 s GLY 187 Ca 0.68 1.00 0.00 0.00 0.00 0.00 0.00 44.72 46.40 2a31 s GLY 187 CO 0.28 1.41 0.00 0.61 0.00 0.00 0.00 173.10 175.39 2a31 n GLY 188 N 0.48 1.34 2.67 0.20 0.00 -0.36 -4.94 105.19 104.58 2a31 n GLY 188 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2a31 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a31 s LYS 188 N 0.00 0.40 0.09 1.61 1.02 -1.26 -3.42 119.74 118.18 2a31 s LYS 188 Ca 0.00 -0.32 -0.26 0.00 0.02 0.00 0.00 55.97 55.41 2a31 s LYS 188 Cb 0.00 -1.95 0.08 0.00 -0.52 0.00 0.00 37.83 35.44 2a31 s LYS 188 CO 0.00 -0.69 0.92 0.34 -0.92 0.00 0.00 175.35 175.00 2a31 s ASP 189 N 1.97 -0.27 0.82 2.83 2.15 -0.54 -4.32 116.67 119.31 2a31 s ASP 189 Ca 0.01 -0.22 -0.12 0.00 0.43 0.00 0.00 52.55 52.65 2a31 s ASP 189 Cb -0.17 0.45 0.09 0.00 -0.30 0.00 0.00 42.92 42.99 2a31 s ASP 189 CO -0.11 -0.79 1.15 -0.94 -0.17 0.00 0.00 175.17 174.32 2a31 s SER 190 N -2.74 4.37 0.30 -0.34 1.04 -1.26 -0.54 113.70 114.52 2a31 s SER 190 Ca 0.09 0.90 -0.07 0.00 0.48 0.00 0.00 55.95 57.35 2a31 s SER 190 Cb -0.01 -1.46 0.03 0.00 0.10 0.00 0.00 66.02 64.67 2a31 s SER 190 CO -0.03 -2.00 0.52 0.00 0.98 0.00 0.00 173.24 172.70 2a31 n GLN 192 N -0.44 1.56 0.00 0.00 3.00 -1.26 -1.09 117.38 119.15 2a31 n GLN 192 Ca -0.04 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 2a31 n GLN 192 Cb 0.47 -2.04 0.00 0.00 0.00 0.00 0.00 30.24 28.66 2a31 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2a31 n GLY 193 N 1.58 2.76 0.18 1.08 0.00 -1.26 -0.76 105.19 108.76 2a31 n GLY 193 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 2a31 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2a31 h ASP 194 N 0.00 0.00 -1.04 1.61 3.32 -1.42 -3.31 116.42 115.58 2a31 h ASP 194 Ca 0.00 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.29 2a31 h ASP 194 Cb 0.00 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.61 2a31 h ASP 194 CO 0.00 0.13 -0.06 -1.20 -1.72 0.00 0.00 179.24 176.38 2a31 n SER 195 N -3.03 -0.23 0.00 6.45 7.64 -1.25 -1.47 113.62 121.73 2a31 n SER 195 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2a31 n SER 195 Cb 0.59 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2a31 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a31 n GLY 196 N 1.65 2.05 3.96 0.23 0.00 -0.16 -0.43 105.19 112.49 2a31 n GLY 196 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2a31 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a31 s GLY 197 N -1.97 1.81 0.28 -0.02 0.00 -0.54 -3.42 107.32 103.45 2a31 s GLY 197 Ca 0.00 -1.49 -0.12 0.00 0.00 0.00 0.00 44.72 43.11 2a31 s GLY 197 CO 0.00 -0.71 0.64 2.56 0.00 0.00 0.00 173.10 175.60 2a31 s PRO 198 N -5.76 3.90 -0.26 2.90 0.04 -1.26 -1.31 135.00 133.25 2a31 s PRO 198 Ca 0.75 0.47 0.02 0.00 0.04 0.00 0.00 61.00 62.28 2a31 s PRO 198 Cb -0.03 -2.54 0.07 0.00 0.04 0.00 0.00 34.50 32.04 2a31 s PRO 198 CO 0.52 0.23 -0.06 0.08 0.04 0.00 0.00 177.00 177.81 2a31 s VAL 199 N -1.90 1.91 -0.13 -0.36 1.01 -0.33 -3.10 120.40 117.50 2a31 s VAL 199 Ca 0.51 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2a31 s VAL 199 Cb -0.11 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2a31 s VAL 199 CO 0.19 -0.14 -0.11 -0.69 0.00 0.00 0.00 175.10 174.35 2a31 s VAL 200 N 1.20 3.22 -0.08 2.92 1.01 -0.51 -1.22 120.40 126.94 2a31 s VAL 200 Ca -0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2a31 s VAL 200 Cb -0.19 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.85 2a31 s VAL 200 CO -0.06 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.53 2a31 n ASN 202 N 4.85 -0.55 0.00 0.00 3.02 -1.26 -1.63 115.26 119.70 2a31 n ASN 202 Ca -0.12 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2a31 n ASN 202 Cb 0.50 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 2a31 n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a31 n GLY 203 N -1.90 0.60 3.17 7.41 0.00 -1.26 -4.99 105.19 108.22 2a31 n GLY 203 Ca -0.30 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 2a31 n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a31 s GLN 204 N -0.20 1.50 -0.75 1.61 -0.21 -0.64 -3.87 119.66 117.10 2a31 s GLN 204 Ca 0.00 -0.64 -0.27 0.00 0.02 0.00 0.00 55.36 54.47 2a31 s GLN 204 Cb 0.00 -1.43 0.02 0.00 1.00 0.00 0.00 33.01 32.60 2a31 s GLN 204 CO 0.00 0.37 1.38 -1.17 -2.12 0.00 0.00 175.29 173.76 2a31 s LEU 209 N -0.37 3.21 -0.01 2.90 2.96 -0.13 -0.79 118.68 126.44 2a31 s LEU 209 Ca 0.06 -0.43 0.19 0.00 -0.22 0.00 0.00 54.13 53.73 2a31 s LEU 209 Cb -0.07 -2.56 -0.21 0.00 0.50 0.00 0.00 46.19 43.85 2a31 s LEU 209 CO -0.00 -1.90 0.57 0.00 -1.32 0.00 0.00 176.35 173.69 2a31 n GLN 210 N 9.31 0.65 -4.09 1.98 1.13 -0.36 -4.06 117.38 121.94 2a31 n GLN 210 Ca 0.08 0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 55.08 2a31 n GLN 210 Cb 0.50 -1.66 -0.11 0.00 0.11 0.00 0.00 30.24 29.07 2a31 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2a31 s GLY 211 N -4.86 0.54 -0.11 1.08 0.00 -0.94 -1.75 107.32 101.29 2a31 s GLY 211 Ca -0.06 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.71 2a31 s GLY 211 CO 0.84 -1.06 -0.21 -0.42 0.00 0.00 0.00 173.10 172.24 2a31 s ILE 212 N -2.46 1.91 -0.15 0.90 1.01 -1.02 -1.18 121.20 120.21 2a31 s ILE 212 Ca -0.02 -0.92 -0.35 0.00 0.00 0.00 0.00 60.65 59.37 2a31 s ILE 212 Cb -0.03 -1.67 -0.12 0.00 0.01 0.00 0.00 42.46 40.65 2a31 s ILE 212 CO -0.03 0.52 1.93 0.52 0.00 0.00 0.00 174.94 177.89 2a31 n VAL 213 N 3.75 0.49 0.00 2.92 0.31 -0.43 -1.49 118.33 123.89 2a31 n VAL 213 Ca -0.20 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2a31 n VAL 213 Cb 0.52 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2a31 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2a31 n SER 214 N 7.25 0.00 -3.83 4.52 2.88 -1.10 -0.99 113.62 122.35 2a31 n SER 214 Ca 0.26 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.71 2a31 n SER 214 Cb 0.28 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 2a31 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2a31 s TRP 215 N -0.83 0.21 0.02 0.66 1.48 -0.54 -4.95 118.94 114.99 2a31 s TRP 215 Ca 0.00 -0.62 -0.17 0.00 -1.06 0.00 0.00 56.10 54.26 2a31 s TRP 215 Cb 0.00 0.39 0.06 0.00 -1.16 0.00 0.00 33.47 32.76 2a31 s TRP 215 CO 0.00 -1.12 0.76 0.41 -4.06 0.00 0.00 176.95 172.94 2a31 n GLY 216 N -0.43 0.49 3.27 3.67 0.00 -1.26 -0.72 105.19 110.20 2a31 n GLY 216 Ca -0.03 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 2a31 n GLY 216 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a31 s TYR 217 N -2.70 3.34 0.00 1.61 5.04 -1.26 -4.97 117.35 118.41 2a31 s TYR 217 Ca 0.18 -1.55 0.00 0.00 -2.44 0.00 0.00 57.07 53.25 2a31 s TYR 217 Cb -0.01 -2.97 0.00 0.00 0.35 0.00 0.00 41.96 39.34 2a31 s TYR 217 CO 0.01 -0.85 0.00 0.41 -1.34 0.00 0.00 175.55 173.77 2a31 n GLY 219 N 4.91 1.00 2.92 8.97 0.00 -1.26 -4.66 105.19 117.07 2a31 n GLY 219 Ca -0.10 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 2a31 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a31 n ALA 221 N 3.14 -0.39 -2.09 0.00 0.00 -1.26 -4.89 120.51 115.03 2a31 n ALA 221 Ca -0.13 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 2a31 n ALA 221 Cb 0.59 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 2a31 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2a31 s GLN 221 N -4.14 3.83 0.36 0.00 -0.21 -1.26 -1.22 119.66 117.01 2a31 s GLN 221 Ca 0.00 0.61 -0.28 0.00 0.02 0.00 0.00 55.36 55.70 2a31 s GLN 221 Cb 0.00 -2.32 -0.11 0.00 1.00 0.00 0.00 33.01 31.58 2a31 s GLN 221 CO 0.00 -0.10 1.45 0.21 -2.12 0.00 0.00 175.29 174.73 2a31 s LYS 222 N -3.90 4.16 -1.52 2.91 2.20 -1.26 -2.82 119.74 119.51 2a31 s LYS 222 Ca 0.53 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.64 2a31 s LYS 222 Cb -0.10 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 2a31 s LYS 222 CO 0.31 -0.46 0.00 0.09 -0.36 0.00 0.00 175.35 174.93 2a31 n ASN 223 N 0.67 -4.93 -3.22 1.43 4.13 0.14 -4.90 115.26 108.58 2a31 n ASN 223 Ca 0.01 0.13 -0.24 0.00 1.68 0.00 0.00 54.58 56.17 2a31 n ASN 223 Cb 0.40 -4.18 -0.07 0.00 -1.54 0.00 0.00 39.78 34.39 2a31 n ASN 223 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2a31 n LYS 224 N -2.79 1.10 -1.09 3.52 4.76 -1.13 -4.69 118.16 117.85 2a31 n LYS 224 Ca -0.20 -3.52 -0.30 0.00 -2.87 0.00 0.00 58.31 51.43 2a31 n LYS 224 Cb 0.64 -1.47 0.14 0.00 -1.84 0.00 0.00 35.03 32.50 2a31 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2a31 s PRO 225 N -1.61 1.33 0.42 1.97 0.04 -1.26 -4.45 135.00 131.45 2a31 s PRO 225 Ca 0.37 1.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.19 2a31 s PRO 225 Cb 0.19 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.84 2a31 s PRO 225 CO -0.09 -2.25 1.39 0.20 0.04 0.00 0.00 177.00 176.29 2a31 s GLY 226 N -3.22 2.93 -0.11 0.56 0.00 -1.25 -4.75 107.32 101.48 2a31 s GLY 226 Ca 0.64 1.40 -0.01 0.00 0.00 0.00 0.00 44.72 46.74 2a31 s GLY 226 CO 0.57 2.01 -0.06 0.14 0.00 0.00 0.00 173.10 175.77 2a31 s VAL 227 N -1.21 3.73 0.02 1.40 1.01 0.10 -2.36 120.40 123.10 2a31 s VAL 227 Ca 0.58 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.16 2a31 s VAL 227 Cb -0.42 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2a31 s VAL 227 CO 0.55 0.55 -0.14 -0.31 0.00 0.00 0.00 175.10 175.75 2a31 s TYR 228 N -0.25 1.27 0.20 5.22 1.51 0.66 -1.47 117.35 124.49 2a31 s TYR 228 Ca 0.04 -0.31 -0.31 0.00 -1.01 0.00 0.00 57.07 55.47 2a31 s TYR 228 Cb -0.13 -0.77 -0.10 0.00 -0.11 0.00 0.00 41.96 40.85 2a31 s TYR 228 CO 0.02 0.02 1.55 0.99 -1.11 0.00 0.00 175.55 177.02 2a31 s THR 229 N -0.66 2.53 -0.90 -0.71 2.01 -0.55 -1.01 115.64 116.35 2a31 s THR 229 Ca 0.03 0.40 -0.20 0.00 0.31 0.00 0.00 61.69 62.23 2a31 s THR 229 Cb -0.07 -3.26 0.10 0.00 0.01 0.00 0.00 72.50 69.29 2a31 s THR 229 CO 0.01 0.04 1.17 -0.75 -0.69 0.00 0.00 174.62 174.40 2a31 s LYS 230 N 0.59 3.51 0.54 4.92 2.20 -0.11 -2.42 119.74 128.96 2a31 s LYS 230 Ca 0.67 -1.46 0.21 0.00 -0.36 0.00 0.00 55.97 55.03 2a31 s LYS 230 Cb -0.44 -4.88 1.40 0.00 -1.51 0.00 0.00 37.83 32.40 2a31 s LYS 230 CO 0.36 -1.87 2.13 0.28 -0.36 0.00 0.00 175.35 175.89 2a31 h VAL 231 N 6.05 0.84 0.00 4.02 2.07 -1.62 -1.84 116.25 125.77 2a31 h VAL 231 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2a31 h VAL 231 Cb 1.03 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2a31 h VAL 231 CO 1.19 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.78 2a31 n ASN 233 N -1.67 1.09 0.00 0.00 3.02 -0.69 -4.38 115.26 112.62 2a31 n ASN 233 Ca 0.02 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 2a31 n ASN 233 Cb 0.10 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2a31 n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2a31 n TYR 234 N -0.34 0.00 -0.24 3.10 4.01 -0.08 -4.73 117.16 118.88 2a31 n TYR 234 Ca 0.17 -0.37 -0.06 0.00 -0.16 0.00 0.00 57.90 57.47 2a31 n TYR 234 Cb 0.32 -0.04 0.04 0.00 -0.31 0.00 0.00 39.34 39.36 2a31 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2a31 h VAL 235 N 0.41 1.23 -0.46 -0.72 2.07 -1.76 -0.26 116.25 116.76 2a31 h VAL 235 Ca 0.00 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 2a31 h VAL 235 Cb 0.51 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2a31 h VAL 235 CO 0.00 0.27 0.05 0.78 0.02 0.00 0.00 177.57 178.69 2a31 h ASN 236 N 0.94 0.75 -0.70 0.57 2.35 -1.93 -0.22 115.58 117.35 2a31 h ASN 236 Ca 0.23 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2a31 h ASN 236 Cb 0.13 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 2a31 h ASN 236 CO -0.03 0.84 0.26 -0.25 -1.65 0.00 0.00 177.43 176.59 2a31 h TRP 237 N 0.64 1.10 0.36 1.19 7.01 -1.77 0.01 115.95 124.49 2a31 h TRP 237 Ca 0.14 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 2a31 h TRP 237 Cb 0.42 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 2a31 h TRP 237 CO 0.03 0.85 -0.17 0.82 -2.79 0.00 0.00 178.44 177.18 2a31 h ILE 238 N 1.04 0.65 -0.84 2.65 2.04 -0.86 -1.49 117.51 120.71 2a31 h ILE 238 Ca 0.24 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2a31 h ILE 238 Cb 0.24 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2a31 h ILE 238 CO -0.01 0.07 0.52 -0.61 0.00 0.00 0.00 178.15 178.12 2a31 h GLN 239 N -0.70 1.12 -0.36 2.37 5.75 -0.87 -1.30 115.11 121.12 2a31 h GLN 239 Ca -0.05 -0.09 -0.14 0.00 -0.15 0.00 0.00 58.65 58.22 2a31 h GLN 239 Cb 0.49 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 2a31 h GLN 239 CO 0.08 0.78 -0.32 1.96 -2.65 0.00 0.00 178.83 178.68 2a31 h GLN 240 N 1.15 0.80 -0.33 1.69 4.20 -0.90 -0.87 115.11 120.83 2a31 h GLN 240 Ca 0.30 -0.37 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 2a31 h GLN 240 Cb -0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2a31 h GLN 240 CO -0.06 1.00 -0.23 1.15 -0.67 0.00 0.00 178.83 180.02 2a31 h THR 241 N 0.67 1.29 -0.20 -0.54 2.02 -0.98 -1.86 112.91 113.32 2a31 h THR 241 Ca 0.07 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 2a31 h THR 241 Cb 0.86 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 2a31 h THR 241 CO 0.08 0.45 0.11 0.40 0.37 0.00 0.00 175.52 176.92 2a31 h ILE 242 N 0.51 1.11 -0.20 3.11 2.04 -1.10 -2.18 117.51 120.79 2a31 h ILE 242 Ca 0.07 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2a31 h ILE 242 Cb 0.79 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2a31 h ILE 242 CO 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 178.15 178.28 2a31 h ALA 243 N 1.00 1.57 -0.03 1.87 0.00 -0.97 -3.12 119.26 119.57 2a31 h ALA 243 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2a31 h ALA 243 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2a31 h ALA 243 CO -0.01 0.32 -0.12 0.00 0.00 0.00 0.00 179.25 179.44 2a31 h ALA 244 N 1.67 0.06 -0.02 0.00 0.00 -1.06 -3.51 119.26 116.40 2a31 h ALA 244 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2a31 h ALA 244 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2a31 h ALA 244 CO 0.01 -0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.31