#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s85 s VAL 17 N 0.00 5.09 -0.99 1.39 1.01 0.69 -4.15 120.40 123.45 1s85 s VAL 17 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1s85 s VAL 17 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1s85 s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1s85 n GLY 18 N 2.52 0.61 0.00 4.51 0.00 -1.22 -1.84 105.19 109.77 1s85 n GLY 18 Ca -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1s85 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s85 n GLY 19 N -1.40 1.60 3.12 -0.02 0.00 -1.26 -4.83 105.19 102.40 1s85 n GLY 19 Ca -0.11 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 1s85 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s85 s TYR 20 N 1.95 0.26 -0.01 1.61 1.13 -0.86 -4.99 117.35 116.43 1s85 s TYR 20 Ca 0.00 -0.63 -0.30 0.00 -1.41 0.00 0.00 57.07 54.73 1s85 s TYR 20 Cb 0.00 -0.18 -0.06 0.00 -1.10 0.00 0.00 41.96 40.62 1s85 s TYR 20 CO 0.00 -0.40 1.51 0.99 -2.51 0.00 0.00 175.55 175.15 1s85 s THR 21 N -3.08 3.56 0.59 -3.49 2.01 -1.26 -1.10 115.64 112.86 1s85 s THR 21 Ca -0.01 0.89 -0.19 0.00 0.31 0.00 0.00 61.69 62.68 1s85 s THR 21 Cb 0.02 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1s85 s THR 21 CO -0.07 -0.03 1.08 0.00 -0.69 0.00 0.00 174.62 174.91 1s85 n ALA 23 N -1.54 1.29 -1.68 0.00 0.00 -1.26 -4.86 120.51 112.46 1s85 n ALA 23 Ca 0.13 0.26 -0.45 0.00 0.00 0.00 0.00 53.44 53.38 1s85 n ALA 23 Cb 0.46 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 1s85 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s85 n ALA 24 N -0.24 1.39 -1.13 0.00 0.00 -1.26 -2.01 120.51 117.26 1s85 n ALA 24 Ca 0.07 0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.76 1s85 n ALA 24 Cb 0.40 -2.54 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 1s85 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s85 n ASN 25 N 6.15 -5.05 0.00 0.00 4.13 -1.26 -4.87 115.26 114.36 1s85 n ASN 25 Ca 0.20 0.11 0.07 0.00 1.68 0.00 0.00 54.58 56.64 1s85 n ASN 25 Cb 0.34 -2.95 0.31 0.00 -1.54 0.00 0.00 39.78 35.93 1s85 n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s85 n SER 26 N -0.63 0.00 -3.12 6.41 3.41 -0.85 -3.67 113.62 115.17 1s85 n SER 26 Ca -0.05 0.43 -0.27 0.00 -0.26 0.00 0.00 58.87 58.72 1s85 n SER 26 Cb 0.40 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 1s85 n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s85 n ILE 27 N -1.46 2.86 0.41 -1.33 2.08 -1.26 -4.97 119.36 115.69 1s85 n ILE 27 Ca 0.04 -5.46 0.10 0.00 0.56 0.00 0.00 62.75 57.99 1s85 n ILE 27 Cb 0.15 -1.66 0.43 0.00 -0.75 0.00 0.00 39.64 37.82 1s85 n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1s85 n PRO 28 N 0.15 0.13 0.05 0.38 -0.04 -1.24 -1.71 135.00 132.73 1s85 n PRO 28 Ca 0.31 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 1s85 n PRO 28 Cb 0.40 -1.76 0.24 0.00 -0.04 0.00 0.00 33.50 32.33 1s85 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s85 n TYR 29 N -2.01 0.47 -2.20 0.54 0.18 -1.12 -2.46 117.16 110.55 1s85 n TYR 29 Ca 0.02 0.14 -0.42 0.00 1.88 0.00 0.00 57.90 59.52 1s85 n TYR 29 Cb 0.20 -0.61 -0.03 0.00 -0.38 0.00 0.00 39.34 38.52 1s85 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1s85 s GLN 30 N -3.12 4.33 0.20 -3.48 2.00 -0.69 -0.96 119.66 117.94 1s85 s GLN 30 Ca 0.08 2.03 0.11 0.00 -2.00 0.00 0.00 55.36 55.58 1s85 s GLN 30 Cb 0.14 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.61 1s85 s GLN 30 CO 0.69 -0.43 -0.20 0.14 -0.50 0.00 0.00 175.29 174.99 1s85 s VAL 31 N 1.25 2.57 -0.12 1.34 -7.23 -0.46 -4.49 120.40 113.26 1s85 s VAL 31 Ca 0.64 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.74 1s85 s VAL 31 Cb -0.35 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1s85 s VAL 31 CO 0.30 -0.15 0.16 -0.55 -0.31 0.00 0.00 175.10 174.55 1s85 s SER 32 N -2.82 6.41 -0.26 4.85 0.15 -0.70 -2.49 113.70 118.85 1s85 s SER 32 Ca 0.23 0.49 -0.11 0.00 0.70 0.00 0.00 55.95 57.26 1s85 s SER 32 Cb -0.08 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.10 1s85 s SER 32 CO 0.12 0.38 0.20 -0.76 1.20 0.00 0.00 173.24 174.38 1s85 s LEU 33 N -0.91 4.07 -0.09 3.45 1.43 -0.28 -1.29 118.68 125.07 1s85 s LEU 33 Ca 0.15 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1s85 s LEU 33 Cb -0.12 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1s85 s LEU 33 CO 0.04 -0.01 -0.23 0.21 0.23 0.00 0.00 176.35 176.59 1s85 s ASN 34 N 1.38 2.96 -0.30 2.29 3.84 -0.29 -1.69 114.94 123.14 1s85 s ASN 34 Ca 0.09 -0.53 0.12 0.00 0.21 0.00 0.00 52.86 52.75 1s85 s ASN 34 Cb -0.15 -1.30 0.47 0.00 -0.55 0.00 0.00 41.25 39.72 1s85 s ASN 34 CO 0.08 0.16 1.14 -0.24 -2.79 0.00 0.00 177.10 175.45 1s85 n SER 37 N 3.49 3.73 0.00 -4.21 2.88 -1.26 -1.72 113.62 116.54 1s85 n SER 37 Ca -0.19 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.16 1s85 n SER 37 Cb 0.53 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1s85 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s85 n GLY 38 N -0.61 2.98 3.19 0.46 0.00 -1.26 -4.99 105.19 104.95 1s85 n GLY 38 Ca 0.31 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 1s85 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s85 s SER 39 N 0.27 0.23 0.07 1.61 1.04 -1.26 -5.14 113.70 110.53 1s85 s SER 39 Ca 0.00 -0.84 -0.37 0.00 0.48 0.00 0.00 55.95 55.22 1s85 s SER 39 Cb 0.00 0.31 -0.17 0.00 0.10 0.00 0.00 66.02 66.26 1s85 s SER 39 CO 0.00 -0.72 1.34 1.57 0.98 0.00 0.00 173.24 176.41 1s85 n HIS 40 N -0.04 1.48 0.00 5.02 -0.00 -1.26 -4.46 115.22 115.96 1s85 n HIS 40 Ca -0.13 0.66 0.00 0.00 0.46 0.00 0.00 57.72 58.71 1s85 n HIS 40 Cb 0.62 -2.32 0.00 0.00 -0.12 0.00 0.00 29.99 28.17 1s85 n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1s85 n PHE 41 N 2.54 0.00 -3.96 1.57 -1.74 -0.68 -4.92 117.46 110.27 1s85 n PHE 41 Ca 0.19 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.99 1s85 n PHE 41 Cb 0.18 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.13 1s85 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s85 n GLY 43 N -0.37 2.43 3.64 0.00 0.00 -0.07 -1.12 105.19 109.70 1s85 n GLY 43 Ca -0.03 -2.27 0.01 0.00 0.00 0.00 0.00 46.02 43.72 1s85 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s85 s GLY 44 N -4.41 -0.38 -0.04 -0.02 0.00 -1.04 -3.41 107.32 98.01 1s85 s GLY 44 Ca 0.43 0.63 0.02 0.00 0.00 0.00 0.00 44.72 45.81 1s85 s GLY 44 CO 0.28 0.11 -0.10 -0.56 0.00 0.00 0.00 173.10 172.83 1s85 s SER 45 N -2.95 1.40 -0.22 1.64 0.01 -0.09 -1.35 113.70 112.14 1s85 s SER 45 Ca 0.14 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.88 1s85 s SER 45 Cb 0.04 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1s85 s SER 45 CO -0.03 0.03 1.10 -0.22 0.41 0.00 0.00 173.24 174.53 1s85 s LEU 46 N 0.51 4.10 -0.00 2.44 2.96 -0.13 -0.84 118.68 127.72 1s85 s LEU 46 Ca -0.09 1.43 0.05 0.00 -0.22 0.00 0.00 54.13 55.30 1s85 s LEU 46 Cb -0.13 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 1s85 s LEU 46 CO 0.02 -0.71 0.19 2.30 -1.32 0.00 0.00 176.35 176.83 1s85 n ILE 47 N 5.39 0.00 -3.73 6.68 -5.35 -0.11 -1.48 119.36 120.75 1s85 n ILE 47 Ca 0.12 -0.29 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 1s85 n ILE 47 Cb 0.46 0.79 -0.06 0.00 -1.74 0.00 0.00 39.64 39.09 1s85 n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1s85 s ASN 48 N -1.88 -0.09 0.62 7.28 3.84 -0.96 -4.72 114.94 119.02 1s85 s ASN 48 Ca 0.01 -0.47 0.31 0.00 0.21 0.00 0.00 52.86 52.91 1s85 s ASN 48 Cb 0.04 0.43 1.67 0.00 -0.55 0.00 0.00 41.25 42.84 1s85 s ASN 48 CO 0.22 -0.82 2.01 0.77 -2.79 0.00 0.00 177.10 176.49 1s85 h SER 49 N 2.51 0.00 -0.01 -4.21 4.64 -1.96 -1.30 113.55 113.23 1s85 h SER 49 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1s85 h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1s85 h SER 49 CO 0.50 0.00 -0.45 0.00 -0.87 0.00 0.00 176.83 176.00 1s85 n GLN 50 N -3.39 2.13 -4.35 4.77 6.02 -1.26 -1.12 117.38 120.17 1s85 n GLN 50 Ca 0.02 -0.41 -0.21 0.00 -0.01 0.00 0.00 57.00 56.39 1s85 n GLN 50 Cb 0.41 -1.18 -0.16 0.00 1.02 0.00 0.00 30.24 30.33 1s85 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1s85 s TRP 51 N -1.99 1.00 -0.08 1.08 0.52 -0.49 -0.69 118.94 118.29 1s85 s TRP 51 Ca 0.09 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 55.91 1s85 s TRP 51 Cb 0.11 -0.77 -0.03 0.00 -1.15 0.00 0.00 33.47 31.63 1s85 s TRP 51 CO 0.45 -0.18 -0.09 0.08 0.02 0.00 0.00 176.95 177.23 1s85 s VAL 52 N 0.61 3.52 -0.06 4.03 1.01 -0.37 -0.93 120.40 128.21 1s85 s VAL 52 Ca -0.10 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1s85 s VAL 52 Cb -0.13 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1s85 s VAL 52 CO 0.01 0.58 -0.02 0.54 0.00 0.00 0.00 175.10 176.21 1s85 s VAL 53 N -0.51 4.08 0.00 2.92 0.11 -0.02 -0.77 120.40 126.20 1s85 s VAL 53 Ca 0.07 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1s85 s VAL 53 Cb -0.12 -2.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 1s85 s VAL 53 CO 0.02 0.54 0.00 -0.24 -3.33 0.00 0.00 175.10 172.09 1s85 n SER 54 N 1.95 0.00 -4.85 3.54 2.88 -0.34 -0.91 113.62 115.88 1s85 n SER 54 Ca -0.17 -0.92 -0.38 0.00 -1.33 0.00 0.00 58.87 56.07 1s85 n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1s85 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s85 s ALA 55 N -1.41 3.74 0.38 -1.46 0.00 -1.26 -1.11 121.76 120.63 1s85 s ALA 55 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.71 1s85 s ALA 55 Cb 0.00 -2.29 0.74 0.00 0.00 0.00 0.00 23.12 21.57 1s85 s ALA 55 CO 0.00 0.51 1.94 0.00 0.00 0.00 0.00 175.76 178.21 1s85 h ALA 56 N 4.78 1.51 0.00 0.00 0.00 -1.69 -2.07 119.26 121.79 1s85 h ALA 56 Ca -0.52 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1s85 h ALA 56 Cb 1.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1s85 h ALA 56 CO 0.61 0.36 0.00 -2.39 0.00 0.00 0.00 179.25 177.82 1s85 n HIS 57 N -4.33 0.66 1.63 0.00 1.44 -1.26 -1.33 115.22 112.02 1s85 n HIS 57 Ca 0.01 0.30 0.15 0.00 -2.01 0.00 0.00 57.72 56.18 1s85 n HIS 57 Cb 0.20 -0.99 0.81 0.00 0.12 0.00 0.00 29.99 30.13 1s85 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1s85 n TYR 59 N -1.12 2.22 -3.95 0.00 9.36 -0.44 -5.00 117.16 118.23 1s85 n TYR 59 Ca 0.18 0.34 -0.09 0.00 3.32 0.00 0.00 57.90 61.64 1s85 n TYR 59 Cb 0.20 -2.51 -0.10 0.00 -0.63 0.00 0.00 39.34 36.30 1s85 n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1s85 s LYS 60 N 0.43 0.46 0.42 2.98 1.02 -1.26 -5.08 119.74 118.70 1s85 s LYS 60 Ca 0.75 -0.65 0.20 0.00 0.02 0.00 0.00 55.97 56.30 1s85 s LYS 60 Cb -0.68 0.18 0.93 0.00 -0.52 0.00 0.00 37.83 37.74 1s85 s LYS 60 CO 0.42 -0.10 1.86 0.66 -0.92 0.00 0.00 175.35 177.27 1s85 h SER 61 N 4.15 0.00 -3.26 2.83 4.64 -2.00 -3.40 113.55 116.51 1s85 h SER 61 Ca -0.32 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.38 1s85 h SER 61 Cb 1.19 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.94 1s85 h SER 61 CO 0.46 0.29 -0.85 -0.13 -0.87 0.00 0.00 176.83 175.72 1s85 s ARG 62 N -3.89 2.50 -0.03 4.77 3.00 -1.26 -5.01 118.95 119.03 1s85 s ARG 62 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 55.73 55.06 1s85 s ARG 62 Cb 0.12 -2.07 0.02 0.00 0.00 0.00 0.00 34.95 33.03 1s85 s ARG 62 CO 0.66 -0.03 -0.01 0.42 0.00 0.00 0.00 175.30 176.34 1s85 s ILE 63 N 0.88 0.25 -0.20 1.52 1.01 -1.26 -4.82 121.20 118.58 1s85 s ILE 63 Ca -0.08 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 1s85 s ILE 63 Cb -0.15 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1s85 s ILE 63 CO -0.01 0.15 0.32 -1.58 0.00 0.00 0.00 174.94 173.82 1s85 s GLN 64 N 0.92 4.18 -0.17 2.79 0.74 -0.70 -1.33 119.66 126.10 1s85 s GLN 64 Ca -0.10 0.07 -0.17 0.00 0.05 0.00 0.00 55.36 55.21 1s85 s GLN 64 Cb -0.13 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 1s85 s GLN 64 CO -0.01 0.07 0.46 0.08 -0.55 0.00 0.00 175.29 175.34 1s85 s VAL 65 N 0.99 5.17 -0.26 1.34 1.01 -0.62 -1.14 120.40 126.90 1s85 s VAL 65 Ca 0.16 0.87 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 1s85 s VAL 65 Cb -0.14 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1s85 s VAL 65 CO 0.06 0.27 -0.04 -0.13 0.00 0.00 0.00 175.10 175.26 1s85 s ARG 66 N 1.08 2.82 0.30 2.72 0.52 -0.41 -1.06 118.95 124.92 1s85 s ARG 66 Ca 0.23 -0.99 0.08 0.00 -0.52 0.00 0.00 55.73 54.52 1s85 s ARG 66 Cb -0.15 -3.04 -0.03 0.00 0.52 0.00 0.00 34.95 32.24 1s85 s ARG 66 CO 0.09 -0.42 0.21 -0.51 0.02 0.00 0.00 175.30 174.69 1s85 s LEU 67 N 1.34 3.59 -2.07 2.53 1.02 -0.16 -1.72 118.68 123.21 1s85 s LEU 67 Ca -0.00 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 53.69 1s85 s LEU 67 Cb -0.17 -2.15 0.00 0.00 0.02 0.00 0.00 46.19 43.89 1s85 s LEU 67 CO -0.03 -0.20 0.00 0.61 0.02 0.00 0.00 176.35 176.74 1s85 n GLY 69 N -1.23 1.30 3.80 -3.19 0.00 -1.26 -2.25 105.19 102.35 1s85 n GLY 69 Ca -0.05 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1s85 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s85 s GLU 70 N -4.09 3.89 0.05 1.61 0.41 -1.26 -4.11 118.70 115.19 1s85 s GLU 70 Ca 0.00 1.35 0.00 0.00 -0.41 0.00 0.00 54.97 55.91 1s85 s GLU 70 Cb 0.00 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1s85 s GLU 70 CO 0.00 -0.35 0.00 1.58 -0.49 0.00 0.00 175.26 176.00 1s85 n HIS 71 N -0.83 -0.30 -2.60 1.61 -0.00 -1.26 -4.62 115.22 107.22 1s85 n HIS 71 Ca 0.09 0.05 -0.42 0.00 -0.00 0.00 0.00 57.72 57.44 1s85 n HIS 71 Cb 0.52 0.24 -0.03 0.00 -0.00 0.00 0.00 29.99 30.73 1s85 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1s85 s ASN 72 N -4.78 6.35 0.00 0.26 3.84 -1.26 -2.45 114.94 116.91 1s85 s ASN 72 Ca 0.00 -0.11 0.20 0.00 0.21 0.00 0.00 52.86 53.16 1s85 s ASN 72 Cb 0.00 -2.54 1.04 0.00 -0.55 0.00 0.00 41.25 39.19 1s85 s ASN 72 CO 0.00 -1.56 1.61 2.30 -2.79 0.00 0.00 177.10 176.67 1s85 n ILE 73 N 6.53 0.33 0.77 -5.21 -5.35 -0.92 -3.05 119.36 112.47 1s85 n ILE 73 Ca 0.06 0.08 0.09 0.00 -0.27 0.00 0.00 62.75 62.71 1s85 n ILE 73 Cb 0.49 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 1s85 n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s85 n ASP 74 N -1.23 1.76 -3.77 7.28 8.00 -1.26 -4.95 116.55 122.37 1s85 n ASP 74 Ca 0.10 -1.38 -0.15 0.00 0.71 0.00 0.00 54.79 54.07 1s85 n ASP 74 Cb 0.14 0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 41.52 1s85 n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s85 s VAL 75 N -1.98 -0.06 -0.06 2.53 1.01 -1.17 -5.13 120.40 115.54 1s85 s VAL 75 Ca 0.15 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 1s85 s VAL 75 Cb 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.39 1s85 s VAL 75 CO 0.42 0.08 1.47 -0.76 0.00 0.00 0.00 175.10 176.32 1s85 s LEU 76 N 1.02 4.29 -0.00 3.92 1.43 -1.26 -4.68 118.68 123.39 1s85 s LEU 76 Ca -0.08 2.06 0.06 0.00 -1.03 0.00 0.00 54.13 55.14 1s85 s LEU 76 Cb -0.12 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 1s85 s LEU 76 CO -0.03 -0.81 0.23 -0.62 0.23 0.00 0.00 176.35 175.35 1s85 n GLU 77 N 6.36 4.11 -0.13 1.70 1.02 -1.26 -5.04 120.64 127.41 1s85 n GLU 77 Ca 0.15 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1s85 n GLU 77 Cb 0.43 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 1s85 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s85 n GLY 78 N 1.33 0.60 0.38 0.62 0.00 -1.26 -4.92 105.19 101.94 1s85 n GLY 78 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1s85 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s85 n ASN 79 N 0.00 1.33 -4.75 1.61 3.02 -1.26 -4.99 115.26 110.22 1s85 n ASN 79 Ca 0.00 -1.20 -0.40 0.00 -0.03 0.00 0.00 54.58 52.95 1s85 n ASN 79 Cb 0.00 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 1s85 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s85 s GLU 80 N -2.29 4.83 -0.16 3.52 8.01 -1.26 -4.39 118.70 126.96 1s85 s GLU 80 Ca 0.29 1.51 0.01 0.00 0.01 0.00 0.00 54.97 56.79 1s85 s GLU 80 Cb 0.20 -3.28 0.02 0.00 -4.31 0.00 0.00 34.13 26.76 1s85 s GLU 80 CO 0.44 0.47 -0.17 -0.65 0.01 0.00 0.00 175.26 175.36 1s85 s GLN 81 N -1.08 2.63 -0.30 1.61 -0.21 -0.96 -5.00 119.66 116.34 1s85 s GLN 81 Ca 0.42 -0.69 -0.07 0.00 0.02 0.00 0.00 55.36 55.04 1s85 s GLN 81 Cb -0.26 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.44 1s85 s GLN 81 CO 0.33 -0.22 0.09 -0.06 -2.12 0.00 0.00 175.29 173.31 1s85 s PHE 82 N 1.38 3.17 -0.16 0.91 0.40 -1.26 -0.99 117.98 121.42 1s85 s PHE 82 Ca 0.05 -1.01 -0.03 0.00 -0.60 0.00 0.00 56.93 55.34 1s85 s PHE 82 Cb -0.13 -2.27 0.05 0.00 0.51 0.00 0.00 43.02 41.18 1s85 s PHE 82 CO -0.11 -0.59 0.03 0.42 0.70 0.00 0.00 175.22 175.67 1s85 s ILE 83 N 1.50 0.41 0.72 0.64 1.01 -0.22 -4.99 121.20 120.27 1s85 s ILE 83 Ca 0.02 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 1s85 s ILE 83 Cb -0.18 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.46 1s85 s ILE 83 CO 0.03 -0.11 1.22 0.20 0.00 0.00 0.00 174.94 176.27 1s85 s ASN 84 N 1.92 4.23 -0.02 3.58 0.01 -1.26 -1.58 114.94 121.82 1s85 s ASN 84 Ca 0.01 2.40 -0.30 0.00 -0.71 0.00 0.00 52.86 54.25 1s85 s ASN 84 Cb -0.16 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 1s85 s ASN 84 CO -0.07 -2.24 1.45 0.00 -1.51 0.00 0.00 177.10 174.72 1s85 s ALA 85 N -1.90 3.60 0.07 0.60 0.00 -0.44 -1.32 121.76 122.37 1s85 s ALA 85 Ca 0.76 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 53.49 1s85 s ALA 85 Cb -0.30 -3.63 -0.27 0.00 0.00 0.00 0.00 23.12 18.91 1s85 s ALA 85 CO 0.44 -1.03 1.12 0.00 0.00 0.00 0.00 175.76 176.30 1s85 h ALA 86 N 8.16 0.04 -3.38 0.00 0.00 -1.09 -3.44 119.26 119.55 1s85 h ALA 86 Ca -0.37 -0.82 -0.19 0.00 0.00 0.00 0.00 54.91 53.52 1s85 h ALA 86 Cb 1.17 0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.77 1s85 h ALA 86 CO 0.92 0.80 -0.55 0.15 0.00 0.00 0.00 179.25 180.57 1s85 s LYS 87 N -2.83 0.17 -0.17 0.00 1.02 -1.08 -5.00 119.74 111.85 1s85 s LYS 87 Ca -0.07 0.21 -0.03 0.00 0.02 0.00 0.00 55.97 56.09 1s85 s LYS 87 Cb 0.06 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.50 1s85 s LYS 87 CO 0.91 -0.03 0.05 0.42 -0.92 0.00 0.00 175.35 175.79 1s85 s ILE 88 N 0.12 0.29 -0.29 2.17 1.01 -1.26 -0.78 121.20 122.45 1s85 s ILE 88 Ca -0.00 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1s85 s ILE 88 Cb -0.01 -0.81 0.08 0.00 0.01 0.00 0.00 42.46 41.73 1s85 s ILE 88 CO -0.00 -0.18 -0.00 -0.63 0.00 0.00 0.00 174.94 174.13 1s85 s ILE 89 N 1.97 1.91 0.67 2.92 1.01 -0.15 -5.01 121.20 124.52 1s85 s ILE 89 Ca 0.01 -1.82 -0.14 0.00 0.00 0.00 0.00 60.65 58.70 1s85 s ILE 89 Cb -0.16 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1s85 s ILE 89 CO -0.08 -0.37 1.11 0.42 0.00 0.00 0.00 174.94 176.02 1s85 s THR 90 N 1.15 3.28 0.19 2.92 -4.23 -1.26 -1.24 115.64 116.45 1s85 s THR 90 Ca 0.03 0.57 -0.33 0.00 -1.18 0.00 0.00 61.69 60.77 1s85 s THR 90 Cb -0.19 -3.08 -0.13 0.00 1.34 0.00 0.00 72.50 70.43 1s85 s THR 90 CO -0.09 -0.40 1.62 1.57 -0.54 0.00 0.00 174.62 176.78 1s85 n HIS 91 N -2.58 2.46 0.16 3.99 -0.00 -0.73 -4.88 115.22 113.64 1s85 n HIS 91 Ca 0.10 0.20 0.18 0.00 0.46 0.00 0.00 57.72 58.66 1s85 n HIS 91 Cb 0.52 -2.59 0.79 0.00 -0.12 0.00 0.00 29.99 28.59 1s85 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1s85 h PRO 92 N 6.04 0.00 -0.37 1.57 0.13 -1.94 -1.58 132.00 135.85 1s85 h PRO 92 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1s85 h PRO 92 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1s85 h PRO 92 CO 0.90 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.76 1s85 n ASN 93 N -3.89 4.50 -4.69 1.44 4.13 -1.26 -5.00 115.26 110.49 1s85 n ASN 93 Ca 0.03 -2.97 -0.43 0.00 1.68 0.00 0.00 54.58 52.89 1s85 n ASN 93 Cb 0.41 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 38.02 1s85 n ASN 93 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1s85 n PHE 94 N -0.11 2.56 -3.55 3.10 7.35 -0.60 -4.63 117.46 121.59 1s85 n PHE 94 Ca 0.23 -0.08 -0.41 0.00 -0.76 0.00 0.00 57.45 56.43 1s85 n PHE 94 Cb 0.99 -2.70 -0.11 0.00 0.35 0.00 0.00 39.48 38.01 1s85 n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s85 s ASN 95 N 2.57 5.87 0.53 -2.13 3.84 -0.73 -4.98 114.94 119.91 1s85 s ASN 95 Ca 0.82 -0.83 0.31 0.00 0.21 0.00 0.00 52.86 53.38 1s85 s ASN 95 Cb -0.52 -2.08 1.70 0.00 -0.55 0.00 0.00 41.25 39.80 1s85 s ASN 95 CO 0.38 -0.36 1.95 1.23 -2.79 0.00 0.00 177.10 177.51 1s85 h GLY 96 N 8.49 0.00 0.00 1.21 0.00 -1.93 -1.63 103.07 109.21 1s85 h GLY 96 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1s85 h GLY 96 CO 0.68 0.00 -0.40 -2.01 0.00 0.00 0.00 176.54 174.81 1s85 n ASN 97 N -2.68 1.03 0.00 0.19 5.15 -1.26 -4.53 115.26 113.16 1s85 n ASN 97 Ca -0.02 0.34 0.13 0.00 -0.60 0.00 0.00 54.58 54.43 1s85 n ASN 97 Cb 0.16 -0.67 0.58 0.00 -0.53 0.00 0.00 39.78 39.31 1s85 n ASN 97 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s85 n THR 98 N -3.56 0.14 -2.52 -0.44 -2.24 -1.24 -4.92 114.28 99.50 1s85 n THR 98 Ca -0.06 0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1s85 n THR 98 Cb 0.21 -0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1s85 n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s85 n LEU 99 N -1.49 -1.56 -4.77 3.22 4.77 -0.61 -5.00 117.00 111.56 1s85 n LEU 99 Ca 0.07 0.05 -0.38 0.00 -0.03 0.00 0.00 56.01 55.72 1s85 n LEU 99 Cb 0.31 -2.49 -0.03 0.00 -2.33 0.00 0.00 43.42 38.88 1s85 n LEU 99 CO 0.25 -0.12 0.81 -0.62 -1.33 0.00 0.00 177.39 176.38 1s85 s ASP 100 N -2.12 6.68 -1.19 -1.43 2.15 -1.24 -3.50 116.67 116.02 1s85 s ASP 100 Ca 0.04 2.27 -0.20 0.00 0.43 0.00 0.00 52.55 55.09 1s85 s ASP 100 Cb -0.02 -2.61 -0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1s85 s ASP 100 CO 0.05 -0.56 0.73 0.59 -0.17 0.00 0.00 175.17 175.81 1s85 n ASN 101 N 0.20 -4.45 -4.20 -0.34 3.02 -1.26 -1.77 115.26 106.46 1s85 n ASN 101 Ca 0.04 -1.05 -0.43 0.00 -0.03 0.00 0.00 54.58 53.10 1s85 n ASN 101 Cb 0.47 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 1s85 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1s85 n ASP 102 N -2.65 5.11 -3.76 6.41 2.03 -1.23 -4.17 116.55 118.29 1s85 n ASP 102 Ca -0.13 -3.02 -0.13 0.00 0.52 0.00 0.00 54.79 52.03 1s85 n ASP 102 Cb 0.60 -1.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.35 1s85 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1s85 s ILE 103 N 1.29 0.00 0.04 5.18 2.07 -1.26 -3.98 121.20 124.54 1s85 s ILE 103 Ca 0.42 -0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.55 1s85 s ILE 103 Cb 0.03 -0.49 -0.00 0.00 0.13 0.00 0.00 42.46 42.13 1s85 s ILE 103 CO 0.00 -0.02 0.15 0.00 -1.91 0.00 0.00 174.94 173.17 1s85 s MET 104 N 0.06 0.66 0.11 3.50 0.23 -0.27 -1.78 119.30 121.81 1s85 s MET 104 Ca -0.01 -0.70 0.07 0.00 -1.03 0.00 0.00 55.69 54.02 1s85 s MET 104 Cb -0.03 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.50 1s85 s MET 104 CO 0.01 -0.18 -0.08 -0.51 -2.03 0.00 0.00 175.02 172.22 1s85 s LEU 105 N -2.14 3.11 -0.17 0.18 1.43 -0.37 -1.20 118.68 119.52 1s85 s LEU 105 Ca -0.05 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1s85 s LEU 105 Cb -0.01 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.38 1s85 s LEU 105 CO -0.04 0.17 -0.02 -0.63 0.23 0.00 0.00 176.35 176.06 1s85 s ILE 106 N -1.26 0.84 -0.02 -0.59 1.01 0.05 -0.98 121.20 120.25 1s85 s ILE 106 Ca 0.22 -0.54 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 1s85 s ILE 106 Cb -0.11 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1s85 s ILE 106 CO 0.15 0.02 0.80 -0.75 0.00 0.00 0.00 174.94 175.16 1s85 s LYS 107 N 1.74 4.49 0.38 2.79 2.20 0.04 -1.23 119.74 130.15 1s85 s LYS 107 Ca 0.00 1.09 -0.24 0.00 -0.36 0.00 0.00 55.97 56.46 1s85 s LYS 107 Cb -0.16 -3.43 -0.09 0.00 -1.51 0.00 0.00 37.83 32.64 1s85 s LYS 107 CO -0.07 0.08 1.01 -0.51 -0.36 0.00 0.00 175.35 175.50 1s85 s LEU 108 N 0.66 4.19 0.39 5.43 1.43 0.13 -0.62 118.68 130.29 1s85 s LEU 108 Ca 0.42 1.95 0.27 0.00 -1.03 0.00 0.00 54.13 55.75 1s85 s LEU 108 Cb -0.19 -4.16 0.89 0.00 0.03 0.00 0.00 46.19 42.76 1s85 s LEU 108 CO 0.22 -0.35 1.78 0.77 0.23 0.00 0.00 176.35 179.00 1s85 h SER 109 N 2.66 0.00 -4.86 2.29 4.64 -1.50 -3.41 113.55 113.37 1s85 h SER 109 Ca -0.48 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.64 1s85 h SER 109 Cb 1.20 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.13 1s85 h SER 109 CO 0.63 0.00 -0.70 -0.94 -0.87 0.00 0.00 176.83 174.95 1s85 s SER 110 N -5.30 0.78 0.33 4.97 1.04 -1.26 -4.97 113.70 109.29 1s85 s SER 110 Ca 0.05 -0.85 -0.29 0.00 0.48 0.00 0.00 55.95 55.35 1s85 s SER 110 Cb 0.09 0.11 -0.11 0.00 0.10 0.00 0.00 66.02 66.21 1s85 s SER 110 CO 0.56 -0.43 1.46 -2.84 0.98 0.00 0.00 173.24 172.97 1s85 s PRO 111 N -3.09 4.19 0.31 4.02 0.02 -1.26 -4.87 135.00 134.31 1s85 s PRO 111 Ca 0.02 2.45 -0.29 0.00 0.02 0.00 0.00 61.00 63.21 1s85 s PRO 111 Cb 0.01 -3.02 -0.10 0.00 0.02 0.00 0.00 34.50 31.41 1s85 s PRO 111 CO -0.05 -0.46 1.22 0.00 -0.33 0.00 0.00 177.00 177.38 1s85 s ALA 112 N -0.72 3.45 0.04 -1.55 0.00 -0.28 -5.00 121.76 117.71 1s85 s ALA 112 Ca 0.55 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 1s85 s ALA 112 Cb -0.45 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.21 1s85 s ALA 112 CO 0.55 -0.44 1.21 0.99 0.00 0.00 0.00 175.76 178.06 1s85 s THR 113 N -1.16 4.04 -0.18 0.00 2.01 -1.26 -4.85 115.64 114.24 1s85 s THR 113 Ca 0.47 1.46 -0.15 0.00 0.31 0.00 0.00 61.69 63.78 1s85 s THR 113 Cb -0.36 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1s85 s THR 113 CO 0.48 0.09 0.36 -0.76 -0.69 0.00 0.00 174.62 174.10 1s85 s LEU 114 N 1.26 4.19 0.00 4.42 1.43 -1.26 -4.74 118.68 123.98 1s85 s LEU 114 Ca 0.59 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1s85 s LEU 114 Cb -0.29 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1s85 s LEU 114 CO 0.28 -0.01 0.00 -0.46 0.23 0.00 0.00 176.35 176.40 1s85 n ASN 115 N 4.11 0.00 0.16 2.29 0.23 -0.40 -4.99 115.26 116.66 1s85 n ASN 115 Ca -0.10 -0.54 0.05 0.00 -0.53 0.00 0.00 54.58 53.47 1s85 n ASN 115 Cb 0.51 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.71 1s85 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1s85 h SER 116 N 0.00 0.15 0.48 0.53 4.64 -1.99 -3.12 113.55 114.25 1s85 h SER 116 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1s85 h SER 116 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1s85 h SER 116 CO 0.00 0.21 -1.18 0.54 -0.87 0.00 0.00 176.83 175.54 1s85 n ARG 117 N -4.40 0.41 -3.70 4.77 5.12 -1.26 -4.76 116.66 112.83 1s85 n ARG 117 Ca -0.01 -0.01 -0.28 0.00 -1.93 0.00 0.00 57.85 55.62 1s85 n ARG 117 Cb 0.17 -1.63 -0.16 0.00 -1.16 0.00 0.00 32.46 29.68 1s85 n ARG 117 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1s85 s VAL 118 N -3.28 0.50 0.06 1.55 1.01 -1.18 -4.29 120.40 114.76 1s85 s VAL 118 Ca 0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1s85 s VAL 118 Cb 0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1s85 s VAL 118 CO 0.82 -0.38 -0.01 0.00 0.00 0.00 0.00 175.10 175.52 1s85 s ALA 119 N 1.85 0.50 0.58 5.51 0.00 -1.03 -1.28 121.76 127.90 1s85 s ALA 119 Ca 0.03 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 1s85 s ALA 119 Cb -0.17 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1s85 s ALA 119 CO -0.15 -0.38 0.92 0.95 0.00 0.00 0.00 175.76 177.10 1s85 s THR 120 N -3.93 4.19 -0.06 0.00 -4.23 -1.26 -2.79 115.64 107.56 1s85 s THR 120 Ca 0.08 0.30 0.06 0.00 -1.18 0.00 0.00 61.69 60.95 1s85 s THR 120 Cb 0.08 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1s85 s THR 120 CO -0.09 -0.73 -0.24 0.54 -0.54 0.00 0.00 174.62 173.56 1s85 s VAL 121 N -3.02 1.96 0.66 2.29 0.11 -0.55 -4.83 120.40 117.03 1s85 s VAL 121 Ca 0.53 -1.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.40 1s85 s VAL 121 Cb -0.11 -1.67 -0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1s85 s VAL 121 CO 0.48 0.55 1.25 -0.44 -3.33 0.00 0.00 175.10 173.61 1s85 s SER 122 N -0.07 4.59 0.46 3.54 0.01 -1.25 -4.57 113.70 116.41 1s85 s SER 122 Ca -0.05 2.50 -0.11 0.00 1.31 0.00 0.00 55.95 59.60 1s85 s SER 122 Cb -0.14 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 1s85 s SER 122 CO 0.04 -2.01 0.84 -0.76 0.41 0.00 0.00 173.24 171.77 1s85 s LEU 123 N -4.54 3.70 0.42 2.44 1.43 -1.26 -1.41 118.68 119.46 1s85 s LEU 123 Ca 0.79 1.22 -0.24 0.00 -1.03 0.00 0.00 54.13 54.87 1s85 s LEU 123 Cb -0.34 -4.14 -0.08 0.00 0.03 0.00 0.00 46.19 41.66 1s85 s LEU 123 CO 0.40 -0.51 1.16 -2.16 0.23 0.00 0.00 176.35 175.48 1s85 s PRO 124 N -4.14 3.96 -0.00 1.29 0.04 -1.26 -4.77 135.00 130.12 1s85 s PRO 124 Ca 0.53 1.80 0.22 0.00 0.04 0.00 0.00 61.00 63.59 1s85 s PRO 124 Cb -0.10 -2.57 -0.27 0.00 0.04 0.00 0.00 34.50 31.59 1s85 s PRO 124 CO 0.35 -0.39 0.62 0.54 0.04 0.00 0.00 177.00 178.16 1s85 n ARG 125 N -0.13 0.54 -3.76 4.56 1.74 -1.26 -4.96 116.66 113.39 1s85 n ARG 125 Ca 0.05 -0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 56.90 1s85 n ARG 125 Cb 0.47 -1.55 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 1s85 n ARG 125 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1s85 s SER 127 N -4.33 -0.19 0.51 0.55 1.04 -1.26 -5.15 113.70 104.86 1s85 s SER 127 Ca -0.04 -0.52 -0.22 0.00 0.48 0.00 0.00 55.95 55.65 1s85 s SER 127 Cb 0.14 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.72 1s85 s SER 127 CO 0.89 -0.97 1.24 0.00 0.98 0.00 0.00 173.24 175.38 1s85 s ALA 129 N -1.47 3.22 0.67 0.00 0.00 -1.26 -5.05 121.76 117.87 1s85 s ALA 129 Ca 0.68 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.19 1s85 s ALA 129 Cb -0.33 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.54 1s85 s ALA 129 CO 0.39 -0.07 1.15 0.00 0.00 0.00 0.00 175.76 177.23 1s85 s ALA 130 N -1.48 2.37 0.30 0.00 0.00 -1.26 -4.99 121.76 116.71 1s85 s ALA 130 Ca 0.51 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 1s85 s ALA 130 Cb -0.24 -3.38 -0.12 0.00 0.00 0.00 0.00 23.12 19.38 1s85 s ALA 130 CO 0.31 -1.43 1.51 0.00 0.00 0.00 0.00 175.76 176.15 1s85 n ALA 132 N -2.35 2.12 -0.03 0.00 0.00 -1.26 -2.31 120.51 116.68 1s85 n ALA 132 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1s85 n ALA 132 Cb 0.51 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1s85 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s85 n GLY 133 N 1.74 1.08 3.70 0.00 0.00 -0.03 -4.98 105.19 106.70 1s85 n GLY 133 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1s85 n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s85 n THR 134 N -2.00 0.22 -2.50 2.61 -1.04 -0.98 -4.62 114.28 105.97 1s85 n THR 134 Ca 0.00 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 1s85 n THR 134 Cb 0.00 -2.08 -0.04 0.00 -1.82 0.00 0.00 70.33 66.39 1s85 n THR 134 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s85 s GLU 135 N 2.10 4.64 0.26 -2.82 2.12 -1.26 -1.33 118.70 122.40 1s85 s GLU 135 Ca 0.79 1.76 0.03 0.00 0.36 0.00 0.00 54.97 57.91 1s85 s GLU 135 Cb -0.49 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 1s85 s GLU 135 CO 0.35 0.18 0.05 0.00 -0.54 0.00 0.00 175.26 175.30 1s85 s LEU 137 N -3.35 1.73 -0.06 0.00 2.96 0.41 -1.88 118.68 118.48 1s85 s LEU 137 Ca 0.34 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1s85 s LEU 137 Cb 0.07 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 1s85 s LEU 137 CO 0.12 0.01 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.35 1s85 s ILE 138 N 1.02 2.66 0.07 6.68 1.01 -0.31 -1.42 121.20 130.90 1s85 s ILE 138 Ca -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 1s85 s ILE 138 Cb -0.15 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1s85 s ILE 138 CO -0.02 0.57 0.07 -0.94 0.00 0.00 0.00 174.94 174.62 1s85 s SER 139 N -0.37 0.32 0.00 3.58 1.04 -1.22 -0.90 113.70 116.15 1s85 s SER 139 Ca 0.03 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1s85 s SER 139 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1s85 s SER 139 CO 0.02 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1s85 n GLY 140 N 0.08 -0.52 1.60 7.32 0.00 -0.94 -4.36 105.19 108.38 1s85 n GLY 140 Ca -0.15 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 44.78 1s85 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s85 n TRP 141 N -0.64 1.67 -0.64 1.61 8.01 -1.26 -2.15 117.44 124.05 1s85 n TRP 141 Ca 0.00 -0.71 -0.30 0.00 -1.31 0.00 0.00 57.50 55.18 1s85 n TRP 141 Cb 0.00 -0.39 0.26 0.00 -2.01 0.00 0.00 31.31 29.17 1s85 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1s85 s GLY 142 N -1.02 1.49 0.49 6.99 0.00 -1.24 -4.26 107.32 109.77 1s85 s GLY 142 Ca 0.51 -0.63 -0.22 0.00 0.00 0.00 0.00 44.72 44.37 1s85 s GLY 142 CO 0.17 0.24 1.05 -2.01 0.00 0.00 0.00 173.10 172.56 1s85 n ASN 143 N -5.15 1.38 -0.01 1.64 5.15 -0.36 -3.20 115.26 114.71 1s85 n ASN 143 Ca 0.09 0.97 0.05 0.00 -0.60 0.00 0.00 54.58 55.09 1s85 n ASN 143 Cb 0.58 -1.40 -0.06 0.00 -0.53 0.00 0.00 39.78 38.37 1s85 n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s85 n THR 144 N -0.87 0.00 -3.97 -0.44 -2.24 -0.58 -0.79 114.28 105.39 1s85 n THR 144 Ca 0.10 -0.26 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 1s85 n THR 144 Cb 0.42 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 1s85 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s85 s LYS 145 N -1.98 3.49 0.00 -0.78 3.01 -1.26 -4.23 119.74 118.00 1s85 s LYS 145 Ca 0.04 -0.22 0.30 0.00 -1.01 0.00 0.00 55.97 55.08 1s85 s LYS 145 Cb 0.08 -3.14 1.42 0.00 -1.01 0.00 0.00 37.83 35.18 1s85 s LYS 145 CO 0.43 0.66 2.01 -1.13 0.51 0.00 0.00 175.35 177.82 1s85 n SER 146 N 2.35 0.01 -3.50 2.83 3.41 -1.26 -4.63 113.62 112.84 1s85 n SER 146 Ca -0.19 0.05 -0.24 0.00 -0.26 0.00 0.00 58.87 58.23 1s85 n SER 146 Cb 0.54 -0.34 -0.13 0.00 -0.26 0.00 0.00 64.21 64.01 1s85 n SER 146 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1s85 s SER 147 N -2.70 2.67 0.00 4.04 0.15 -1.26 -4.99 113.70 111.60 1s85 s SER 147 Ca 0.24 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1s85 s SER 147 Cb 0.20 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1s85 s SER 147 CO 0.48 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1s85 n GLY 148 N 5.28 -0.42 2.96 9.45 0.00 -1.26 -4.98 105.19 116.21 1s85 n GLY 148 Ca -0.05 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 1s85 n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s85 s SER 149 N -4.00 -0.11 -0.21 1.61 1.04 -1.26 -4.69 113.70 106.07 1s85 s SER 149 Ca 0.00 0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.64 1s85 s SER 149 Cb 0.00 0.21 0.11 0.00 0.10 0.00 0.00 66.02 66.43 1s85 s SER 149 CO 0.00 -0.08 0.28 -0.55 0.98 0.00 0.00 173.24 173.87 1s85 s SER 150 N 0.50 0.86 -0.31 7.02 0.15 -1.26 -4.97 113.70 115.69 1s85 s SER 150 Ca -0.04 0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.46 1s85 s SER 150 Cb -0.05 0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1s85 s SER 150 CO -0.02 -0.31 0.47 -0.31 1.20 0.00 0.00 173.24 174.27 1s85 s TYR 151 N 2.42 3.22 0.49 3.44 1.51 -1.26 -1.53 117.35 125.64 1s85 s TYR 151 Ca 0.08 0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 56.36 1s85 s TYR 151 Cb -0.15 -2.78 -0.06 0.00 -0.11 0.00 0.00 41.96 38.86 1s85 s TYR 151 CO -0.13 -0.40 0.90 -1.25 -1.11 0.00 0.00 175.55 173.56 1s85 s PRO 152 N 2.28 3.78 0.03 -1.71 0.04 -1.26 -5.00 135.00 133.16 1s85 s PRO 152 Ca 0.18 0.67 -0.17 0.00 0.04 0.00 0.00 61.00 61.72 1s85 s PRO 152 Cb -0.16 -2.24 -0.25 0.00 0.04 0.00 0.00 34.50 31.89 1s85 s PRO 152 CO 0.11 -0.23 1.11 0.77 0.04 0.00 0.00 177.00 178.80 1s85 h SER 153 N 0.75 0.72 -3.24 6.66 0.02 -1.93 -3.47 113.55 113.06 1s85 h SER 153 Ca -0.46 -0.78 -0.57 0.00 -0.84 0.00 0.00 61.79 59.13 1s85 h SER 153 Cb 1.19 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 1s85 h SER 153 CO 0.62 1.42 -0.15 -0.76 -1.14 0.00 0.00 176.83 176.82 1s85 s LEU 154 N -8.14 4.34 0.01 5.07 1.43 -1.26 -2.16 118.68 117.97 1s85 s LEU 154 Ca -0.11 0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 53.64 1s85 s LEU 154 Cb 0.05 -3.16 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 1s85 s LEU 154 CO 0.88 0.13 1.52 -0.22 0.23 0.00 0.00 176.35 178.88 1s85 s LEU 155 N -1.96 4.33 0.31 1.79 2.96 -1.02 -4.85 118.68 120.23 1s85 s LEU 155 Ca 0.36 2.23 -0.06 0.00 -0.22 0.00 0.00 54.13 56.45 1s85 s LEU 155 Cb -0.14 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1s85 s LEU 155 CO 0.19 -0.81 0.59 -1.10 -1.32 0.00 0.00 176.35 173.90 1s85 s GLN 156 N 2.78 3.65 0.07 1.98 -1.52 -0.91 -0.98 119.66 124.74 1s85 s GLN 156 Ca 0.68 0.08 0.03 0.00 -1.95 0.00 0.00 55.36 54.20 1s85 s GLN 156 Cb -0.34 -2.60 -0.03 0.00 -0.22 0.00 0.00 33.01 29.82 1s85 s GLN 156 CO 0.28 0.16 -0.09 0.00 -0.25 0.00 0.00 175.29 175.40 1s85 s LEU 158 N -2.11 -0.27 -0.01 0.00 2.96 -0.08 -2.04 118.68 117.13 1s85 s LEU 158 Ca -0.01 0.88 -0.26 0.00 -0.22 0.00 0.00 54.13 54.53 1s85 s LEU 158 Cb -0.05 1.27 -0.04 0.00 0.50 0.00 0.00 46.19 47.86 1s85 s LEU 158 CO -0.00 -0.21 0.81 -0.54 -1.32 0.00 0.00 176.35 175.08 1s85 s LYS 159 N 1.88 4.50 -0.19 1.98 -0.14 -1.26 -1.17 119.74 125.34 1s85 s LYS 159 Ca -0.06 1.10 -0.20 0.00 -1.36 0.00 0.00 55.97 55.45 1s85 s LYS 159 Cb -0.10 -3.43 0.05 0.00 -1.68 0.00 0.00 37.83 32.68 1s85 s LYS 159 CO -0.12 0.09 0.56 0.00 -0.76 0.00 0.00 175.35 175.11 1s85 s ALA 160 N 0.63 -1.39 0.37 5.17 0.00 -0.79 -4.99 121.76 120.76 1s85 s ALA 160 Ca 0.42 1.49 -0.16 0.00 0.00 0.00 0.00 51.96 53.71 1s85 s ALA 160 Cb -0.20 -0.79 -0.09 0.00 0.00 0.00 0.00 23.12 22.04 1s85 s ALA 160 CO 0.23 -0.27 0.81 -1.25 0.00 0.00 0.00 175.76 175.27 1s85 s PRO 161 N 0.08 4.05 0.29 0.00 0.04 -1.26 -1.01 135.00 137.19 1s85 s PRO 161 Ca -0.02 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 1s85 s PRO 161 Cb -0.04 -2.34 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 1s85 s PRO 161 CO 0.02 0.07 1.34 0.08 0.04 0.00 0.00 177.00 178.55 1s85 s VAL 162 N -2.09 2.76 0.14 -0.36 1.01 -0.44 -1.55 120.40 119.87 1s85 s VAL 162 Ca 0.56 0.71 0.03 0.00 0.00 0.00 0.00 61.98 63.28 1s85 s VAL 162 Cb -0.10 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1s85 s VAL 162 CO 0.18 0.15 0.22 -0.76 0.00 0.00 0.00 175.10 174.88 1s85 s LEU 163 N -1.19 4.16 0.35 3.92 1.43 -0.39 -0.85 118.68 126.11 1s85 s LEU 163 Ca 0.53 0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 53.45 1s85 s LEU 163 Cb -0.40 -2.76 -0.13 0.00 0.03 0.00 0.00 46.19 42.94 1s85 s LEU 163 CO 0.48 0.08 1.03 -1.20 0.23 0.00 0.00 176.35 176.97 1s85 n SER 164 N -0.34 1.39 0.30 2.29 7.64 -1.26 -4.57 113.62 119.06 1s85 n SER 164 Ca -0.07 1.12 0.17 0.00 1.01 0.00 0.00 58.87 61.10 1s85 n SER 164 Cb 0.54 -1.33 0.94 0.00 -1.01 0.00 0.00 64.21 63.34 1s85 n SER 164 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1s85 h ASP 165 N 1.86 0.00 0.17 6.43 2.03 -1.97 -0.86 116.42 124.08 1s85 h ASP 165 Ca -0.42 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.87 1s85 h ASP 165 Cb 1.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 1s85 h ASP 165 CO 0.59 0.04 -0.08 0.77 -1.03 0.00 0.00 179.24 179.52 1s85 h SER 166 N 0.00 -0.20 -0.57 4.15 4.64 -1.99 -2.35 113.55 117.24 1s85 h SER 166 Ca -0.00 -0.32 0.08 0.00 -0.47 0.00 0.00 61.79 61.08 1s85 h SER 166 Cb 0.15 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1s85 h SER 166 CO 0.00 0.36 0.38 -1.28 -0.87 0.00 0.00 176.83 175.43 1s85 h SER 167 N -0.91 0.40 -0.03 4.97 0.87 -1.89 -0.48 113.55 116.47 1s85 h SER 167 Ca -0.02 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.35 1s85 h SER 167 Cb 0.50 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1s85 h SER 167 CO 0.04 0.25 -0.65 0.00 -0.53 0.00 0.00 176.83 175.93 1s85 h LYS 169 N 0.47 0.44 -0.10 0.00 1.57 -0.83 -2.89 116.57 115.24 1s85 h LYS 169 Ca -0.02 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 1s85 h LYS 169 Cb 1.24 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1s85 h LYS 169 CO 0.13 0.92 -0.45 0.66 -0.57 0.00 0.00 179.45 180.14 1s85 h SER 170 N 0.32 0.26 0.28 0.86 4.64 -1.08 -2.44 113.55 116.38 1s85 h SER 170 Ca -0.01 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.11 1s85 h SER 170 Cb 1.17 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1s85 h SER 170 CO 0.11 0.68 -0.37 0.28 -0.87 0.00 0.00 176.83 176.65 1s85 h SER 171 N 0.20 0.14 -1.94 4.97 0.02 -1.43 -3.38 113.55 112.12 1s85 h SER 171 Ca 0.01 -0.05 -0.53 0.00 -0.84 0.00 0.00 61.79 60.38 1s85 h SER 171 Cb 0.88 -0.04 -0.36 0.00 0.14 0.00 0.00 62.40 63.01 1s85 h SER 171 CO 0.07 0.51 -1.01 -1.22 -1.14 0.00 0.00 176.83 174.04 1s85 n TYR 172 N -4.07 -0.85 -1.68 3.45 4.02 -1.08 -4.84 117.16 112.11 1s85 n TYR 172 Ca -0.01 -3.29 -0.48 0.00 -0.01 0.00 0.00 57.90 54.10 1s85 n TYR 172 Cb 0.43 0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.72 1s85 n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1s85 n PRO 173 N 1.89 2.12 -1.24 -0.72 -0.02 -0.94 -2.46 135.00 133.64 1s85 n PRO 173 Ca 0.23 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.40 1s85 n PRO 173 Cb 0.52 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 1s85 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s85 n GLY 174 N 4.06 0.98 0.00 -1.23 0.00 -1.26 -4.88 105.19 102.87 1s85 n GLY 174 Ca 0.21 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.82 1s85 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s85 n GLN 175 N -2.32 1.85 -3.20 1.61 1.13 -1.03 -4.97 117.38 110.46 1s85 n GLN 175 Ca -0.08 -0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.53 1s85 n GLN 175 Cb 0.32 -0.93 -0.07 0.00 0.11 0.00 0.00 30.24 29.67 1s85 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1s85 s ILE 176 N -1.90 4.93 1.11 5.09 -1.09 -1.26 -5.05 121.20 123.03 1s85 s ILE 176 Ca -0.00 -0.26 -0.18 0.00 -2.23 0.00 0.00 60.65 57.98 1s85 s ILE 176 Cb 0.02 -4.18 0.25 0.00 -1.58 0.00 0.00 42.46 36.96 1s85 s ILE 176 CO 0.10 -0.61 1.18 0.42 -1.23 0.00 0.00 174.94 174.81 1s85 s THR 177 N 2.52 1.75 -1.58 2.92 -4.23 -1.26 -4.97 115.64 110.80 1s85 s THR 177 Ca 0.16 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.96 1s85 s THR 177 Cb -0.17 -2.67 0.58 0.00 1.34 0.00 0.00 72.50 71.58 1s85 s THR 177 CO 0.15 0.00 2.01 0.61 -0.54 0.00 0.00 174.62 176.85 1s85 n GLY 178 N -1.96 -1.15 1.52 3.99 0.00 -1.26 -3.28 105.19 103.05 1s85 n GLY 178 Ca 0.14 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1s85 n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s85 n ASN 179 N -1.21 4.50 -4.03 1.61 3.02 -1.26 -4.93 115.26 112.97 1s85 n ASN 179 Ca 0.16 -2.57 -0.17 0.00 -0.03 0.00 0.00 54.58 51.97 1s85 n ASN 179 Cb 0.19 -0.59 -0.14 0.00 -0.61 0.00 0.00 39.78 38.63 1s85 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1s85 s MET 180 N -2.13 0.62 0.02 3.52 -1.94 -1.21 -1.63 119.30 116.55 1s85 s MET 180 Ca 0.44 -0.42 0.03 0.00 -1.71 0.00 0.00 55.69 54.03 1s85 s MET 180 Cb 0.31 -0.56 -0.01 0.00 2.01 0.00 0.00 34.83 36.57 1s85 s MET 180 CO 0.17 0.15 -0.09 0.96 -0.01 0.00 0.00 175.02 176.20 1s85 s ILE 181 N -0.49 0.68 0.05 2.53 -4.36 -0.15 -4.84 121.20 114.62 1s85 s ILE 181 Ca 0.00 -0.64 -0.12 0.00 -0.26 0.00 0.00 60.65 59.63 1s85 s ILE 181 Cb -0.05 -0.63 -0.06 0.00 1.25 0.00 0.00 42.46 42.98 1s85 s ILE 181 CO 0.00 0.00 0.41 0.00 0.24 0.00 0.00 174.94 175.59 1s85 s VAL 183 N -1.26 -0.08 -5.00 0.00 1.01 -0.97 -1.26 120.40 112.85 1s85 s VAL 183 Ca 0.29 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1s85 s VAL 183 Cb -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1s85 s VAL 183 CO 0.16 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1s85 n GLY 184 N 4.37 0.48 2.76 4.51 0.00 -0.59 -3.39 105.19 113.33 1s85 n GLY 184 Ca -0.23 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 1s85 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s85 s PHE 184 N -3.63 1.21 0.51 1.61 0.40 -1.26 -4.31 117.98 112.51 1s85 s PHE 184 Ca 0.00 -0.98 0.19 0.00 -0.60 0.00 0.00 56.93 55.55 1s85 s PHE 184 Cb 0.00 -1.10 1.28 0.00 0.51 0.00 0.00 43.02 43.71 1s85 s PHE 184 CO 0.00 -0.63 2.06 -0.07 0.70 0.00 0.00 175.22 177.28 1s85 h LEU 185 N 8.20 0.06 -2.19 -0.37 3.38 -1.94 -2.51 115.31 119.93 1s85 h LEU 185 Ca -0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1s85 h LEU 185 Cb 1.11 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1s85 h LEU 185 CO 0.35 0.04 -0.04 1.05 0.09 0.00 0.00 178.44 179.92 1s85 h GLU 186 N 0.07 0.00 0.00 1.13 -0.00 -1.96 0.66 114.58 114.48 1s85 h GLU 186 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.51 1s85 h GLU 186 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.25 1s85 h GLU 186 CO -0.01 0.04 0.00 0.41 -0.00 0.00 0.00 179.01 179.45 1s85 n GLY 187 N -0.68 0.48 1.78 1.06 0.00 -0.95 -4.29 105.19 102.59 1s85 n GLY 187 Ca -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1s85 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s85 n GLY 188 N 0.49 3.02 2.62 -0.02 0.00 0.09 -4.94 105.19 106.44 1s85 n GLY 188 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1s85 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s85 s LYS 188 N -0.54 0.10 0.16 1.61 1.02 -1.26 -3.42 119.74 117.42 1s85 s LYS 188 Ca 0.00 -0.11 -0.24 0.00 0.02 0.00 0.00 55.97 55.64 1s85 s LYS 188 Cb 0.00 -1.62 0.06 0.00 -0.52 0.00 0.00 37.83 35.75 1s85 s LYS 188 CO 0.00 -0.73 0.76 0.34 -0.92 0.00 0.00 175.35 174.80 1s85 s ASP 189 N 2.16 -0.37 0.90 2.83 2.15 -0.77 -4.19 116.67 119.39 1s85 s ASP 189 Ca 0.04 -0.25 -0.13 0.00 0.43 0.00 0.00 52.55 52.64 1s85 s ASP 189 Cb -0.16 0.57 0.14 0.00 -0.30 0.00 0.00 42.92 43.17 1s85 s ASP 189 CO -0.14 -0.99 1.19 -0.94 -0.17 0.00 0.00 175.17 174.12 1s85 s SER 190 N -2.78 3.70 0.28 -0.34 1.04 -1.26 -0.22 113.70 114.11 1s85 s SER 190 Ca 0.07 0.72 -0.07 0.00 0.48 0.00 0.00 55.95 57.15 1s85 s SER 190 Cb -0.02 -1.13 0.03 0.00 0.10 0.00 0.00 66.02 65.00 1s85 s SER 190 CO -0.04 -2.41 0.50 0.00 0.98 0.00 0.00 173.24 172.27 1s85 n GLN 192 N -0.42 1.83 0.00 0.00 7.27 -1.26 -1.61 117.38 123.19 1s85 n GLN 192 Ca -0.03 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.70 1s85 n GLN 192 Cb 0.45 -2.38 0.00 0.00 2.41 0.00 0.00 30.24 30.71 1s85 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1s85 n GLY 193 N 3.08 1.80 0.04 1.69 0.00 -1.26 -1.22 105.19 109.31 1s85 n GLY 193 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1s85 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s85 n ASP 194 N 0.00 0.55 -4.66 1.61 8.00 -0.63 -3.62 116.55 117.81 1s85 n ASP 194 Ca 0.00 0.18 -0.45 0.00 0.71 0.00 0.00 54.79 55.22 1s85 n ASP 194 Cb 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 1s85 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1s85 n SER 195 N -1.88 2.49 0.00 -2.24 7.64 -1.26 -1.76 113.62 116.61 1s85 n SER 195 Ca 0.05 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1s85 n SER 195 Cb 0.39 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1s85 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s85 n GLY 196 N 2.00 2.97 3.93 0.23 0.00 -0.24 -0.89 105.19 113.20 1s85 n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1s85 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s85 s GLY 197 N -2.28 1.77 0.41 -0.02 0.00 -0.72 -3.24 107.32 103.25 1s85 s GLY 197 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 1s85 s GLY 197 CO 0.00 -0.44 0.78 2.56 0.00 0.00 0.00 173.10 176.01 1s85 s PRO 198 N -5.87 3.78 -0.18 2.90 0.04 -1.26 -1.55 135.00 132.87 1s85 s PRO 198 Ca 0.73 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 1s85 s PRO 198 Cb -0.04 -2.37 0.05 0.00 0.04 0.00 0.00 34.50 32.18 1s85 s PRO 198 CO 0.53 -0.06 0.01 0.08 0.04 0.00 0.00 177.00 177.60 1s85 s VAL 199 N -2.40 0.64 -0.11 -0.36 1.01 -0.24 -3.42 120.40 115.53 1s85 s VAL 199 Ca 0.52 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1s85 s VAL 199 Cb -0.10 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1s85 s VAL 199 CO 0.32 -0.10 -0.21 -0.69 0.00 0.00 0.00 175.10 174.42 1s85 s VAL 200 N 1.81 2.33 -0.04 2.92 1.01 -0.50 -1.09 120.40 126.84 1s85 s VAL 200 Ca -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1s85 s VAL 200 Cb -0.16 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1s85 s VAL 200 CO -0.07 0.55 0.08 0.00 0.00 0.00 0.00 175.10 175.66 1s85 n ASN 202 N 4.16 -1.77 -0.24 0.00 3.02 -1.26 -1.55 115.26 117.63 1s85 n ASN 202 Ca -0.27 -1.08 -0.03 0.00 -0.03 0.00 0.00 54.58 53.17 1s85 n ASN 202 Cb 0.51 -2.49 -0.01 0.00 -0.61 0.00 0.00 39.78 37.18 1s85 n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s85 n GLY 203 N -1.66 0.60 3.11 7.41 0.00 -1.26 -5.02 105.19 108.37 1s85 n GLY 203 Ca -0.07 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1s85 n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s85 s GLN 204 N -1.55 1.37 -0.57 1.61 -0.21 -0.60 -3.96 119.66 115.76 1s85 s GLN 204 Ca 0.00 -0.53 -0.28 0.00 0.02 0.00 0.00 55.36 54.57 1s85 s GLN 204 Cb 0.00 -1.27 0.01 0.00 1.00 0.00 0.00 33.01 32.75 1s85 s GLN 204 CO 0.00 0.27 1.45 -1.17 -2.12 0.00 0.00 175.29 173.72 1s85 s LEU 209 N -0.15 3.38 -0.03 2.90 2.96 -0.50 -1.29 118.68 125.95 1s85 s LEU 209 Ca 0.02 0.26 0.14 0.00 -0.22 0.00 0.00 54.13 54.32 1s85 s LEU 209 Cb -0.08 -2.99 -0.21 0.00 0.50 0.00 0.00 46.19 43.41 1s85 s LEU 209 CO 0.00 -1.77 0.27 0.00 -1.32 0.00 0.00 176.35 173.54 1s85 n GLN 210 N 8.75 0.61 -4.08 1.98 1.13 -0.25 -4.14 117.38 121.38 1s85 n GLN 210 Ca 0.13 -0.11 -0.08 0.00 -1.94 0.00 0.00 57.00 54.99 1s85 n GLN 210 Cb 0.49 -1.33 -0.10 0.00 0.11 0.00 0.00 30.24 29.41 1s85 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1s85 s GLY 211 N -3.73 0.47 -0.11 1.08 0.00 -0.78 -2.13 107.32 102.12 1s85 s GLY 211 Ca -0.05 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.59 1s85 s GLY 211 CO 0.58 -1.19 -0.13 -0.42 0.00 0.00 0.00 173.10 171.94 1s85 s ILE 212 N -3.29 1.34 -0.15 0.90 1.01 -1.12 -1.08 121.20 118.80 1s85 s ILE 212 Ca 0.03 -0.53 -0.35 0.00 0.00 0.00 0.00 60.65 59.80 1s85 s ILE 212 Cb 0.03 -1.25 -0.12 0.00 0.01 0.00 0.00 42.46 41.13 1s85 s ILE 212 CO -0.07 0.41 1.90 0.52 0.00 0.00 0.00 174.94 177.70 1s85 n VAL 213 N 4.41 0.50 0.03 2.92 0.31 -0.59 -1.38 118.33 124.52 1s85 n VAL 213 Ca -0.18 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1s85 n VAL 213 Cb 0.51 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1s85 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1s85 n SER 214 N 6.89 0.35 -2.70 4.52 2.88 -0.99 -1.07 113.62 123.49 1s85 n SER 214 Ca 0.25 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.77 1s85 n SER 214 Cb 0.27 -0.08 0.01 0.00 -0.75 0.00 0.00 64.21 63.66 1s85 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1s85 n TRP 215 N -2.89 -2.08 0.00 0.66 4.27 -0.57 -4.95 117.44 111.88 1s85 n TRP 215 Ca 0.00 -1.83 0.00 0.00 -3.89 0.00 0.00 57.50 51.78 1s85 n TRP 215 Cb 0.00 0.79 0.00 0.00 -1.36 0.00 0.00 31.31 30.74 1s85 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1s85 n GLY 216 N -0.51 1.18 3.53 -1.67 0.00 -1.26 -0.79 105.19 105.68 1s85 n GLY 216 Ca -0.06 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1s85 n GLY 216 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s85 s TYR 217 N -2.00 2.75 0.00 1.61 5.04 -1.26 -4.83 117.35 118.66 1s85 s TYR 217 Ca 0.00 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1s85 s TYR 217 Cb 0.00 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.14 1s85 s TYR 217 CO 0.00 -1.41 0.00 0.41 -1.34 0.00 0.00 175.55 173.21 1s85 n GLY 219 N 5.11 1.54 2.86 8.97 0.00 -1.26 -4.69 105.19 117.72 1s85 n GLY 219 Ca 0.03 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1s85 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s85 n ALA 221 N 3.40 -0.23 -1.46 0.00 0.00 -1.26 -4.85 120.51 116.11 1s85 n ALA 221 Ca -0.17 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 1s85 n ALA 221 Cb 0.57 -1.83 0.06 0.00 0.00 0.00 0.00 19.45 18.25 1s85 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s85 s GLN 221 N -3.27 2.68 0.35 0.00 -0.21 -1.26 -0.73 119.66 117.22 1s85 s GLN 221 Ca 0.00 1.35 -0.29 0.00 0.02 0.00 0.00 55.36 56.44 1s85 s GLN 221 Cb 0.00 -1.94 -0.11 0.00 1.00 0.00 0.00 33.01 31.96 1s85 s GLN 221 CO 0.00 -1.34 1.51 1.17 -2.12 0.00 0.00 175.29 174.51 1s85 n LYS 222 N -2.64 2.65 -1.27 2.91 4.81 -1.26 -3.01 118.16 120.35 1s85 n LYS 222 Ca 0.10 0.93 -0.11 0.00 -0.87 0.00 0.00 58.31 58.36 1s85 n LYS 222 Cb 0.52 -2.67 -0.05 0.00 0.02 0.00 0.00 35.03 32.85 1s85 n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1s85 n ASN 223 N 0.97 -3.89 -3.33 3.14 3.02 0.22 -4.89 115.26 110.50 1s85 n ASN 223 Ca 0.04 0.28 -0.26 0.00 -0.03 0.00 0.00 54.58 54.61 1s85 n ASN 223 Cb 0.38 -3.33 -0.08 0.00 -0.61 0.00 0.00 39.78 36.15 1s85 n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s85 n LYS 224 N -1.40 1.66 -1.28 3.52 4.76 -1.16 -4.58 118.16 119.67 1s85 n LYS 224 Ca -0.11 -4.00 -0.31 0.00 -2.87 0.00 0.00 58.31 51.02 1s85 n LYS 224 Cb 0.45 -1.78 0.09 0.00 -1.84 0.00 0.00 35.03 31.95 1s85 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s85 s PRO 225 N -1.83 2.17 0.39 1.97 0.04 -1.26 -4.39 135.00 132.10 1s85 s PRO 225 Ca 0.37 1.10 -0.27 0.00 0.04 0.00 0.00 61.00 62.24 1s85 s PRO 225 Cb 0.15 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 1s85 s PRO 225 CO -0.06 -1.68 1.45 0.41 0.04 0.00 0.00 177.00 177.16 1s85 n GLY 226 N -1.28 1.08 3.59 0.56 0.00 -1.22 -4.76 105.19 103.16 1s85 n GLY 226 Ca 0.09 0.28 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 1s85 n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s85 s VAL 227 N -1.14 3.93 -0.01 1.61 1.01 0.03 -2.28 120.40 123.55 1s85 s VAL 227 Ca 0.55 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1s85 s VAL 227 Cb -0.48 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1s85 s VAL 227 CO 0.62 0.57 -0.04 -0.31 0.00 0.00 0.00 175.10 175.95 1s85 s TYR 228 N -0.51 0.41 0.40 5.22 1.51 -0.09 -1.51 117.35 122.78 1s85 s TYR 228 Ca 0.08 -0.07 -0.27 0.00 -1.01 0.00 0.00 57.07 55.80 1s85 s TYR 228 Cb -0.12 -0.33 -0.10 0.00 -0.11 0.00 0.00 41.96 41.31 1s85 s TYR 228 CO 0.02 -0.05 1.42 0.99 -1.11 0.00 0.00 175.55 176.82 1s85 s THR 229 N 0.22 2.22 -0.76 -0.71 2.01 -0.48 -0.98 115.64 117.16 1s85 s THR 229 Ca -0.02 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 1s85 s THR 229 Cb -0.05 -3.13 0.17 0.00 0.01 0.00 0.00 72.50 69.50 1s85 s THR 229 CO -0.00 0.04 0.78 -0.75 -0.69 0.00 0.00 174.62 174.00 1s85 s LYS 230 N -2.21 3.41 0.45 4.92 2.20 -0.65 -2.81 119.74 125.06 1s85 s LYS 230 Ca 0.56 -2.02 0.14 0.00 -0.36 0.00 0.00 55.97 54.29 1s85 s LYS 230 Cb -0.43 -4.47 1.00 0.00 -1.51 0.00 0.00 37.83 32.41 1s85 s LYS 230 CO 0.57 -1.43 1.99 0.28 -0.36 0.00 0.00 175.35 176.40 1s85 h VAL 231 N 5.34 1.13 0.00 4.02 2.07 -1.71 -2.23 116.25 124.88 1s85 h VAL 231 Ca -0.02 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1s85 h VAL 231 Cb 1.05 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1s85 h VAL 231 CO 0.92 0.18 0.00 0.00 0.02 0.00 0.00 177.57 178.70 1s85 n ASN 233 N -1.46 0.43 -0.04 0.00 4.13 -0.84 -4.38 115.26 113.10 1s85 n ASN 233 Ca 0.03 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.59 1s85 n ASN 233 Cb 0.10 -0.30 0.01 0.00 -1.54 0.00 0.00 39.78 38.05 1s85 n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1s85 n TYR 234 N -1.79 0.03 -0.19 3.10 4.01 -0.47 -4.75 117.16 117.10 1s85 n TYR 234 Ca 0.06 -0.45 -0.08 0.00 -0.16 0.00 0.00 57.90 57.27 1s85 n TYR 234 Cb 0.38 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.38 1s85 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1s85 h VAL 235 N 0.13 1.21 -0.22 -0.72 2.07 -1.76 -1.42 116.25 115.54 1s85 h VAL 235 Ca 0.00 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1s85 h VAL 235 Cb 0.46 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1s85 h VAL 235 CO 0.00 0.24 0.10 0.78 0.02 0.00 0.00 177.57 178.72 1s85 h ASN 236 N 0.73 0.15 -0.71 0.57 4.21 -1.93 -2.10 115.58 116.49 1s85 h ASN 236 Ca 0.18 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1s85 h ASN 236 Cb 0.16 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 1s85 h ASN 236 CO -0.02 0.12 0.45 -0.25 -1.29 0.00 0.00 177.43 176.43 1s85 h TRP 237 N 0.22 0.92 0.16 1.19 7.01 -1.81 -2.23 115.95 121.41 1s85 h TRP 237 Ca 0.09 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1s85 h TRP 237 Cb 0.03 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1s85 h TRP 237 CO -0.10 0.61 -0.07 0.82 -2.79 0.00 0.00 178.44 176.90 1s85 h ILE 238 N 0.97 0.95 0.00 2.65 2.04 -1.10 -2.27 117.51 120.75 1s85 h ILE 238 Ca 0.26 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1s85 h ILE 238 Cb -0.07 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1s85 h ILE 238 CO -0.05 0.12 -0.16 -0.61 0.00 0.00 0.00 178.15 177.44 1s85 h GLN 239 N -0.44 0.00 -0.06 2.37 5.75 -1.25 -2.13 115.11 119.34 1s85 h GLN 239 Ca -0.02 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1s85 h GLN 239 Cb 0.35 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 1s85 h GLN 239 CO 0.03 0.16 -0.11 1.96 -2.65 0.00 0.00 178.83 178.23 1s85 h GLN 240 N 0.00 0.19 -0.61 1.69 4.20 -1.36 -2.18 115.11 117.04 1s85 h GLN 240 Ca -0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1s85 h GLN 240 Cb 0.31 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1s85 h GLN 240 CO 0.02 0.68 0.25 1.15 -0.67 0.00 0.00 178.83 180.27 1s85 h THR 241 N -0.29 1.23 0.18 -0.54 2.02 -1.07 -1.48 112.91 112.96 1s85 h THR 241 Ca 0.00 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1s85 h THR 241 Cb 0.67 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1s85 h THR 241 CO 0.02 0.27 -0.11 0.40 0.37 0.00 0.00 175.52 176.48 1s85 h ILE 242 N 0.85 0.76 0.00 3.11 2.04 -1.47 -2.57 117.51 120.22 1s85 h ILE 242 Ca 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1s85 h ILE 242 Cb 0.19 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1s85 h ILE 242 CO -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.11 1s85 h ALA 243 N 0.53 1.82 0.00 1.87 0.00 -1.08 -2.92 119.26 119.47 1s85 h ALA 243 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s85 h ALA 243 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1s85 h ALA 243 CO 0.01 0.02 -0.80 0.00 0.00 0.00 0.00 179.25 178.49 1s85 n ALA 244 N -2.47 3.65 -0.73 0.00 0.00 -0.58 -5.09 120.51 115.29 1s85 n ALA 244 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1s85 n ALA 244 Cb 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1s85 n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59