#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frs s SER 2 N 0.00 -0.36 0.00 0.00 0.15 -1.26 -4.92 113.70 107.31 1frs s SER 2 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1frs s SER 2 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1frs s SER 2 CO 0.00 -0.72 0.12 -0.46 1.20 0.00 0.00 173.24 173.37 1frs n ASN 3 N -0.30 0.23 -4.52 5.45 6.94 -1.26 -4.91 115.26 116.89 1frs n ASN 3 Ca -0.09 -0.96 -0.44 0.00 -0.02 0.00 0.00 54.58 53.08 1frs n ASN 3 Cb 0.62 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 1frs n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1frs n PHE 4 N -0.01 4.83 -4.37 -2.53 7.35 -1.26 -4.92 117.46 116.54 1frs n PHE 4 Ca 0.00 -3.12 -0.19 0.00 -0.76 0.00 0.00 57.45 53.39 1frs n PHE 4 Cb 0.18 -2.40 -0.10 0.00 0.35 0.00 0.00 39.48 37.50 1frs n PHE 4 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1frs s GLU 5 N 2.82 1.50 0.52 -4.13 2.02 -1.26 -4.86 118.70 115.31 1frs s GLU 5 Ca 0.48 -1.82 -0.20 0.00 0.02 0.00 0.00 54.97 53.46 1frs s GLU 5 Cb 0.00 -0.55 -0.07 0.00 0.10 0.00 0.00 34.13 33.61 1frs s GLU 5 CO 0.04 -0.23 1.10 -2.00 0.02 0.00 0.00 175.26 174.20 1frs s GLU 6 N -3.96 3.51 0.30 1.61 2.12 -1.26 -4.51 118.70 116.52 1frs s GLU 6 Ca 0.36 1.55 -0.19 0.00 0.36 0.00 0.00 54.97 57.05 1frs s GLU 6 Cb 0.08 -2.05 0.06 0.00 0.26 0.00 0.00 34.13 32.48 1frs s GLU 6 CO 0.14 -0.71 0.87 -0.59 -0.54 0.00 0.00 175.26 174.43 1frs s PHE 7 N -1.82 0.07 -0.26 5.30 -0.71 0.67 -4.96 117.98 116.26 1frs s PHE 7 Ca 0.71 -0.62 -0.16 0.00 -1.04 0.00 0.00 56.93 55.81 1frs s PHE 7 Cb -0.22 0.78 -0.03 0.00 -1.21 0.00 0.00 43.02 42.34 1frs s PHE 7 CO 0.25 -1.31 0.45 0.14 -1.34 0.00 0.00 175.22 173.41 1frs s VAL 8 N -2.45 5.12 -0.12 -2.49 -7.23 -1.26 0.09 120.40 112.06 1frs s VAL 8 Ca 0.17 0.73 -0.19 0.00 -1.81 0.00 0.00 61.98 60.88 1frs s VAL 8 Cb -0.04 -3.77 -0.26 0.00 0.56 0.00 0.00 36.38 32.87 1frs s VAL 8 CO 0.09 0.12 0.57 0.25 -0.31 0.00 0.00 175.10 175.82 1frs h LEU 9 N 8.70 0.29 -8.62 1.32 5.85 -0.08 -3.45 115.31 119.31 1frs h LEU 9 Ca -0.30 -0.83 -0.65 0.00 0.84 0.00 0.00 57.88 56.93 1frs h LEU 9 Cb 1.15 -0.09 -0.26 0.00 0.37 0.00 0.00 40.66 41.83 1frs h LEU 9 CO 0.68 1.50 -0.74 -0.69 -0.34 0.00 0.00 178.44 178.85 1frs s VAL 10 N -2.42 3.24 -0.38 1.05 1.01 -0.07 -4.95 120.40 117.88 1frs s VAL 10 Ca -0.20 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1frs s VAL 10 Cb 0.03 -2.39 0.12 0.00 0.00 0.00 0.00 36.38 34.14 1frs s VAL 10 CO 0.74 0.51 0.16 -0.62 0.00 0.00 0.00 175.10 175.88 1frs s ASP 11 N 0.52 4.01 -0.56 3.32 2.15 -1.26 -0.98 116.67 123.87 1frs s ASP 11 Ca -0.07 -2.23 0.04 0.00 0.43 0.00 0.00 52.55 50.72 1frs s ASP 11 Cb -0.15 -1.11 0.14 0.00 -0.30 0.00 0.00 42.92 41.50 1frs s ASP 11 CO 0.04 -0.34 0.33 0.54 -0.17 0.00 0.00 175.17 175.57 1frs s ASN 12 N 0.84 4.28 0.00 -0.34 6.03 -1.26 -4.98 114.94 119.51 1frs s ASN 12 Ca 0.14 -3.23 0.00 0.00 -1.03 0.00 0.00 52.86 48.74 1frs s ASN 12 Cb -0.21 -1.52 0.00 0.00 -3.03 0.00 0.00 41.25 36.49 1frs s ASN 12 CO -0.10 -0.19 0.00 0.61 -2.03 0.00 0.00 177.10 175.39 1frs n GLY 13 N 2.80 0.00 4.61 0.45 0.00 -1.26 -2.74 105.19 109.05 1frs n GLY 13 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1frs n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frs n GLY 14 N 0.00 0.55 0.00 -0.02 0.00 -1.26 -4.62 105.19 99.84 1frs n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1frs n GLY 14 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1frs n THR 15 N 0.00 0.00 -1.26 2.61 5.66 -1.11 -4.73 114.28 115.45 1frs n THR 15 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1frs n THR 15 Cb 0.00 -0.24 -0.10 0.00 -1.55 0.00 0.00 70.33 68.44 1frs n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1frs n GLY 16 N 3.31 3.77 3.75 1.09 0.00 -1.17 -4.92 105.19 111.01 1frs n GLY 16 Ca 0.00 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 1frs n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1frs s ASP 17 N 1.58 7.54 -0.31 1.61 1.01 -1.26 -4.62 116.67 122.22 1frs s ASP 17 Ca 0.65 2.03 -0.07 0.00 0.71 0.00 0.00 52.55 55.86 1frs s ASP 17 Cb 0.28 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.61 1frs s ASP 17 CO -0.06 0.06 0.10 -0.69 0.21 0.00 0.00 175.17 174.79 1frs s VAL 18 N -1.09 4.07 -0.02 -1.27 1.01 -0.15 -4.96 120.40 117.99 1frs s VAL 18 Ca 0.42 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1frs s VAL 18 Cb -0.27 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1frs s VAL 18 CO 0.34 0.01 0.02 -0.75 0.00 0.00 0.00 175.10 174.72 1frs s LYS 19 N 1.50 2.88 0.10 2.72 2.20 -1.26 0.70 119.74 128.58 1frs s LYS 19 Ca 0.02 -0.54 0.06 0.00 -0.36 0.00 0.00 55.97 55.16 1frs s LYS 19 Cb -0.18 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.38 1frs s LYS 19 CO 0.03 0.65 -0.15 0.54 -0.36 0.00 0.00 175.35 176.06 1frs s VAL 20 N -1.05 1.31 0.04 4.02 0.11 0.11 -3.99 120.40 120.95 1frs s VAL 20 Ca 0.18 -1.52 -0.05 0.00 -2.93 0.00 0.00 61.98 57.67 1frs s VAL 20 Cb -0.12 -1.35 -0.01 0.00 -1.53 0.00 0.00 36.38 33.37 1frs s VAL 20 CO 0.09 -0.28 0.07 0.00 -3.33 0.00 0.00 175.10 171.65 1frs s ALA 21 N -1.62 -0.00 -0.32 1.54 0.00 0.66 -0.24 121.76 121.77 1frs s ALA 21 Ca 0.04 -0.61 -0.41 0.00 0.00 0.00 0.00 51.96 50.98 1frs s ALA 21 Cb -0.08 0.24 -0.16 0.00 0.00 0.00 0.00 23.12 23.12 1frs s ALA 21 CO 0.03 -0.30 1.72 -2.30 0.00 0.00 0.00 175.76 174.91 1frs n PRO 22 N 0.81 0.94 -0.05 0.00 -0.02 -1.26 -0.30 135.00 135.12 1frs n PRO 22 Ca -0.19 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.58 1frs n PRO 22 Cb 0.58 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1frs n PRO 22 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1frs n SER 23 N 5.16 1.41 -3.43 2.55 2.88 0.11 -4.83 113.62 117.47 1frs n SER 23 Ca 0.27 0.23 -0.12 0.00 -1.33 0.00 0.00 58.87 57.93 1frs n SER 23 Cb 0.09 -0.60 -0.02 0.00 -0.75 0.00 0.00 64.21 62.93 1frs n SER 23 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1frs s ASN 24 N -5.58 -0.55 -0.41 -3.46 3.84 -1.11 -5.01 114.94 102.66 1frs s ASN 24 Ca -0.18 0.00 0.05 0.00 0.21 0.00 0.00 52.86 52.94 1frs s ASN 24 Cb 0.03 0.58 0.18 0.00 -0.55 0.00 0.00 41.25 41.48 1frs s ASN 24 CO 0.27 -0.94 0.36 0.33 -2.79 0.00 0.00 177.10 174.34 1frs n PHE 25 N -0.36 -0.83 0.00 0.43 7.35 -1.26 -0.62 117.46 122.17 1frs n PHE 25 Ca -0.16 -3.34 0.00 0.00 -0.76 0.00 0.00 57.45 53.18 1frs n PHE 25 Cb 0.65 0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.66 1frs n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1frs n ALA 26 N 2.65 -0.12 -2.76 3.13 0.00 -0.90 -4.66 120.51 117.84 1frs n ALA 26 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.57 1frs n ALA 26 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 1frs n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1frs n ASN 27 N -1.01 2.18 0.00 0.00 4.13 -1.26 -4.78 115.26 114.52 1frs n ASN 27 Ca 0.00 -3.05 0.00 0.00 1.68 0.00 0.00 54.58 53.21 1frs n ASN 27 Cb 0.00 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 1frs n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1frs n GLY 28 N -0.08 0.54 2.86 7.41 0.00 -1.26 -5.01 105.19 109.64 1frs n GLY 28 Ca 0.20 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1frs n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frs s VAL 29 N -2.00 1.04 -0.15 1.61 1.01 -1.26 -4.03 120.40 116.62 1frs s VAL 29 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1frs s VAL 29 Cb 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1frs s VAL 29 CO 0.00 0.02 0.19 0.00 0.00 0.00 0.00 175.10 175.32 1frs s ALA 30 N 1.65 3.72 -0.08 5.51 0.00 -0.24 -2.12 121.76 130.20 1frs s ALA 30 Ca -0.01 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1frs s ALA 30 Cb -0.16 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1frs s ALA 30 CO -0.07 0.30 -0.21 -2.00 0.00 0.00 0.00 175.76 173.78 1frs s GLU 31 N -0.13 2.54 -0.07 0.00 2.12 0.21 -2.52 118.70 120.85 1frs s GLU 31 Ca 0.13 -0.74 0.04 0.00 0.36 0.00 0.00 54.97 54.76 1frs s GLU 31 Cb -0.12 -1.99 -0.00 0.00 0.26 0.00 0.00 34.13 32.28 1frs s GLU 31 CO 0.02 0.17 -0.20 -1.58 -0.54 0.00 0.00 175.26 173.13 1frs s TRP 32 N 0.33 2.10 -0.02 5.30 0.51 -0.35 0.05 118.94 126.86 1frs s TRP 32 Ca -0.15 -0.74 0.04 0.00 -2.12 0.00 0.00 56.10 53.14 1frs s TRP 32 Cb -0.16 -1.42 -0.01 0.00 -0.81 0.00 0.00 33.47 31.07 1frs s TRP 32 CO 0.06 -0.28 -0.14 0.42 -0.51 0.00 0.00 176.95 176.50 1frs s ILE 33 N 0.22 1.15 0.91 2.03 -1.09 0.58 -1.06 121.20 123.94 1frs s ILE 33 Ca -0.11 -0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 57.60 1frs s ILE 33 Cb -0.15 -0.98 0.14 0.00 -1.58 0.00 0.00 42.46 39.89 1frs s ILE 33 CO 0.05 0.33 1.13 -0.94 -1.23 0.00 0.00 174.94 174.28 1frs s SER 34 N -0.10 3.46 0.90 3.58 1.04 -0.71 -0.25 113.70 121.62 1frs s SER 34 Ca 0.01 1.04 -0.14 0.00 0.48 0.00 0.00 55.95 57.33 1frs s SER 34 Cb -0.08 -1.64 0.15 0.00 0.10 0.00 0.00 66.02 64.55 1frs s SER 34 CO 0.00 -2.59 1.26 -0.55 0.98 0.00 0.00 173.24 172.34 1frs s SER 35 N -3.92 3.69 0.00 7.02 0.15 -1.26 -4.73 113.70 114.65 1frs s SER 35 Ca 0.64 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1frs s SER 35 Cb -0.15 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 1frs s SER 35 CO 0.54 -2.40 0.00 0.59 1.20 0.00 0.00 173.24 173.17 1frs n ASN 36 N -3.59 0.00 -4.71 5.45 3.02 -1.26 -4.77 115.26 109.39 1frs n ASN 36 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 1frs n ASN 36 Cb 0.60 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.74 1frs n ASN 36 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1frs s SER 37 N -4.00 6.49 0.41 6.41 0.01 -1.26 -4.76 113.70 117.00 1frs s SER 37 Ca 0.00 2.73 0.16 0.00 1.31 0.00 0.00 55.95 60.14 1frs s SER 37 Cb 0.00 -2.59 1.04 0.00 0.21 0.00 0.00 66.02 64.67 1frs s SER 37 CO 0.00 -0.91 1.89 -0.09 0.41 0.00 0.00 173.24 174.54 1frs h ARG 38 N 7.03 0.43 0.00 12.44 9.65 -1.92 0.23 114.38 142.26 1frs h ARG 38 Ca -0.43 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1frs h ARG 38 Cb 1.20 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1frs h ARG 38 CO 0.94 0.29 0.31 0.66 2.80 0.00 0.00 179.97 184.97 1frs h SER 39 N 0.45 0.00 -0.66 -3.80 4.64 -1.86 -0.65 113.55 111.66 1frs h SER 39 Ca 0.42 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.44 1frs h SER 39 Cb 0.96 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.70 1frs h SER 39 CO -0.15 0.00 -1.02 0.00 -0.87 0.00 0.00 176.83 174.79 1frs n GLN 40 N -2.59 1.32 -3.24 4.77 10.64 0.78 -3.11 117.38 125.94 1frs n GLN 40 Ca -0.02 -3.02 -0.25 0.00 -1.83 0.00 0.00 57.00 51.89 1frs n GLN 40 Cb 0.35 -1.09 -0.01 0.00 -0.86 0.00 0.00 30.24 28.63 1frs n GLN 40 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1frs s ALA 41 N -2.69 3.64 0.60 2.61 0.00 -0.25 -4.83 121.76 120.83 1frs s ALA 41 Ca 0.25 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 1frs s ALA 41 Cb 0.42 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 21.35 1frs s ALA 41 CO -0.01 -0.07 0.90 0.71 0.00 0.00 0.00 175.76 177.29 1frs s TYR 42 N -2.39 3.22 -0.11 0.00 1.51 -1.26 -4.58 117.35 113.74 1frs s TYR 42 Ca 0.41 0.60 -0.13 0.00 -1.01 0.00 0.00 57.07 56.94 1frs s TYR 42 Cb -0.10 -2.76 0.03 0.00 -0.11 0.00 0.00 41.96 39.02 1frs s TYR 42 CO 0.37 -0.86 0.36 0.21 -1.11 0.00 0.00 175.55 174.52 1frs s LYS 43 N -5.00 0.49 0.02 -0.62 2.20 -1.11 -1.74 119.74 113.99 1frs s LYS 43 Ca 0.54 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1frs s LYS 43 Cb -0.11 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1frs s LYS 43 CO 0.45 -0.08 -0.05 0.08 -0.36 0.00 0.00 175.35 175.38 1frs s VAL 44 N -0.15 0.38 0.08 4.02 1.01 -0.22 -0.78 120.40 124.74 1frs s VAL 44 Ca -0.03 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1frs s VAL 44 Cb -0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 1frs s VAL 44 CO 0.01 -0.19 0.18 0.42 0.00 0.00 0.00 175.10 175.53 1frs s THR 45 N -0.83 0.14 0.10 3.92 -4.23 0.39 -1.21 115.64 113.92 1frs s THR 45 Ca -0.06 -1.14 -0.20 0.00 -1.18 0.00 0.00 61.69 59.12 1frs s THR 45 Cb -0.06 -1.26 0.05 0.00 1.34 0.00 0.00 72.50 72.57 1frs s THR 45 CO -0.00 -0.63 0.48 0.00 -0.54 0.00 0.00 174.62 173.93 1frs s SER 47 N -2.47 -0.57 -0.03 0.00 1.04 -0.76 -1.08 113.70 109.82 1frs s SER 47 Ca -0.01 0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.94 1frs s SER 47 Cb 0.00 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1frs s SER 47 CO -0.08 -0.61 -0.05 -0.69 0.98 0.00 0.00 173.24 172.79 1frs s VAL 48 N -1.68 0.49 0.04 5.02 1.01 -1.26 -0.73 120.40 123.29 1frs s VAL 48 Ca -0.06 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1frs s VAL 48 Cb -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1frs s VAL 48 CO 0.04 0.20 -0.14 -0.60 0.00 0.00 0.00 175.10 174.59 1frs s ARG 49 N 0.65 0.92 -0.24 2.72 3.52 -0.85 -4.98 118.95 120.68 1frs s ARG 49 Ca -0.08 -0.79 -0.24 0.00 -0.13 0.00 0.00 55.73 54.48 1frs s ARG 49 Cb -0.12 -0.93 -0.01 0.00 -1.56 0.00 0.00 34.95 32.34 1frs s ARG 49 CO -0.00 0.23 0.80 -1.14 -0.81 0.00 0.00 175.30 174.37 1frs s GLN 50 N -1.24 4.17 0.00 5.12 2.00 -1.26 -0.92 119.66 127.53 1frs s GLN 50 Ca 0.01 0.88 0.00 0.00 -2.00 0.00 0.00 55.36 54.25 1frs s GLN 50 Cb -0.08 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 30.08 1frs s GLN 50 CO 0.01 -0.50 0.00 -1.13 -0.50 0.00 0.00 175.29 173.17 1frs n SER 51 N 5.95 0.00 -3.91 6.67 3.41 0.32 -4.92 113.62 121.14 1frs n SER 51 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.36 1frs n SER 51 Cb 0.48 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.69 1frs n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1frs s SER 52 N -1.00 -0.01 0.63 4.04 0.15 -1.25 -4.84 113.70 111.42 1frs s SER 52 Ca 0.00 1.06 0.29 0.00 0.70 0.00 0.00 55.95 58.01 1frs s SER 52 Cb 0.00 -1.59 1.56 0.00 -1.71 0.00 0.00 66.02 64.28 1frs s SER 52 CO 0.00 -4.75 1.92 0.00 1.20 0.00 0.00 173.24 171.61 1frs h ALA 53 N -3.00 1.70 0.00 5.45 0.00 -2.04 -2.07 119.26 119.30 1frs h ALA 53 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1frs h ALA 53 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1frs h ALA 53 CO 0.39 -0.48 0.00 0.09 0.00 0.00 0.00 179.25 179.24 1frs n ASN 54 N -3.28 1.31 -4.11 0.00 3.02 -1.26 -4.96 115.26 105.98 1frs n ASN 54 Ca 0.02 -1.36 -0.19 0.00 -0.03 0.00 0.00 54.58 53.02 1frs n ASN 54 Cb 0.49 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.53 1frs n ASN 54 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1frs s ASN 55 N -0.36 1.47 0.16 6.41 0.01 -0.78 -0.99 114.94 120.86 1frs s ASN 55 Ca 0.00 -0.41 0.09 0.00 -0.71 0.00 0.00 52.86 51.83 1frs s ASN 55 Cb 0.00 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.52 1frs s ASN 55 CO 0.00 0.03 -0.12 -0.13 -1.51 0.00 0.00 177.10 175.36 1frs s ARG 56 N -1.00 1.97 -0.10 -0.60 0.52 -0.18 -0.52 118.95 119.04 1frs s ARG 56 Ca 0.01 -1.24 -0.04 0.00 -0.52 0.00 0.00 55.73 53.94 1frs s ARG 56 Cb -0.07 -2.14 0.05 0.00 0.52 0.00 0.00 34.95 33.31 1frs s ARG 56 CO 0.01 0.45 0.20 0.21 0.02 0.00 0.00 175.30 176.19 1frs s LYS 57 N -2.61 0.09 0.17 3.54 2.20 -0.10 -1.45 119.74 121.59 1frs s LYS 57 Ca 0.23 0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 56.34 1frs s LYS 57 Cb -0.09 -0.17 -0.07 0.00 -1.51 0.00 0.00 37.83 35.99 1frs s LYS 57 CO 0.14 -0.28 0.51 0.71 -0.36 0.00 0.00 175.35 176.07 1frs s TYR 58 N 2.16 3.51 -0.04 4.03 1.51 0.86 -2.01 117.35 127.37 1frs s TYR 58 Ca 0.00 0.89 -0.02 0.00 -1.01 0.00 0.00 57.07 56.94 1frs s TYR 58 Cb -0.12 -2.26 0.03 0.00 -0.11 0.00 0.00 41.96 39.51 1frs s TYR 58 CO -0.07 0.37 0.05 0.99 -1.11 0.00 0.00 175.55 175.78 1frs s THR 59 N -1.63 -0.06 -0.03 -0.71 2.01 0.09 -1.11 115.64 114.21 1frs s THR 59 Ca 0.42 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.81 1frs s THR 59 Cb -0.13 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.21 1frs s THR 59 CO 0.20 0.18 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.57 1frs s VAL 60 N 2.04 0.49 0.06 3.82 1.01 -0.43 -1.84 120.40 125.56 1frs s VAL 60 Ca 0.04 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1frs s VAL 60 Cb -0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1frs s VAL 60 CO -0.03 0.18 -0.07 -0.54 0.00 0.00 0.00 175.10 174.64 1frs s LYS 61 N 0.50 0.62 0.00 2.72 1.02 0.02 0.13 119.74 124.74 1frs s LYS 61 Ca -0.06 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1frs s LYS 61 Cb -0.10 -0.22 -0.00 0.00 -0.52 0.00 0.00 37.83 36.99 1frs s LYS 61 CO -0.00 0.02 -0.02 0.08 -0.92 0.00 0.00 175.35 174.51 1frs s VAL 62 N -2.21 0.11 -0.13 3.17 1.01 0.10 -0.46 120.40 121.99 1frs s VAL 62 Ca -0.03 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1frs s VAL 62 Cb -0.04 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.24 1frs s VAL 62 CO -0.02 -0.01 -0.17 -0.70 0.00 0.00 0.00 175.10 174.20 1frs s GLU 63 N -0.14 2.54 -0.10 2.72 2.12 0.04 -1.62 118.70 124.27 1frs s GLU 63 Ca -0.01 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.67 1frs s GLU 63 Cb -0.01 -2.16 -0.01 0.00 0.26 0.00 0.00 34.13 32.20 1frs s GLU 63 CO -0.00 -0.10 -0.17 0.08 -0.54 0.00 0.00 175.26 174.53 1frs s VAL 64 N 1.08 2.74 -0.03 3.70 1.01 -0.82 -2.74 120.40 125.35 1frs s VAL 64 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1frs s VAL 64 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1frs s VAL 64 CO -0.05 0.55 0.02 -2.16 0.00 0.00 0.00 175.10 173.46 1frs s PRO 65 N 0.10 2.91 -0.16 2.72 0.05 -1.26 -1.00 135.00 138.36 1frs s PRO 65 Ca -0.08 -0.52 -0.15 0.00 0.05 0.00 0.00 61.00 60.30 1frs s PRO 65 Cb -0.15 -2.75 -0.04 0.00 0.05 0.00 0.00 34.50 31.60 1frs s PRO 65 CO 0.05 0.65 0.35 0.21 0.05 0.00 0.00 177.00 178.31 1frs s LYS 66 N -1.41 4.26 0.27 4.56 2.36 -0.41 -4.98 119.74 124.39 1frs s LYS 66 Ca 0.18 0.17 -0.13 0.00 -2.55 0.00 0.00 55.97 53.65 1frs s LYS 66 Cb -0.12 -3.45 -0.08 0.00 -1.05 0.00 0.00 37.83 33.13 1frs s LYS 66 CO 0.09 0.16 0.65 0.08 1.55 0.00 0.00 175.35 177.88 1frs s VAL 67 N 0.68 4.79 0.06 4.02 1.01 -1.26 -0.30 120.40 129.39 1frs s VAL 67 Ca 0.19 0.76 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 1frs s VAL 67 Cb -0.14 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1frs s VAL 67 CO 0.06 -0.11 0.42 0.00 0.00 0.00 0.00 175.10 175.48 1frs n ALA 68 N -0.19 -1.13 -3.57 5.51 0.00 -0.79 -4.65 120.51 115.70 1frs n ALA 68 Ca 0.02 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 1frs n ALA 68 Cb 0.53 0.20 -0.17 0.00 0.00 0.00 0.00 19.45 20.01 1frs n ALA 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1frs s THR 69 N -2.32 1.77 -0.03 0.00 2.01 -1.26 -1.68 115.64 114.13 1frs s THR 69 Ca 0.10 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 61.14 1frs s THR 69 Cb -0.01 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1frs s THR 69 CO 0.02 0.49 0.36 -1.58 -0.69 0.00 0.00 174.62 173.23 1frs s GLN 70 N 0.79 3.86 -0.07 4.92 0.74 0.73 -4.89 119.66 125.74 1frs s GLN 70 Ca -0.09 0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.64 1frs s GLN 70 Cb -0.16 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.75 1frs s GLN 70 CO 0.00 0.68 -0.07 0.08 -0.55 0.00 0.00 175.29 175.44 1frs s VAL 71 N -0.98 0.80 -0.17 1.34 1.01 -1.26 -0.12 120.40 121.02 1frs s VAL 71 Ca 0.22 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1frs s VAL 71 Cb -0.16 -0.81 0.08 0.00 0.00 0.00 0.00 36.38 35.49 1frs s VAL 71 CO 0.12 0.30 0.36 -1.58 0.00 0.00 0.00 175.10 174.30 1frs s GLN 72 N 1.17 0.26 -1.48 2.72 0.74 -0.25 -4.83 119.66 117.99 1frs s GLN 72 Ca -0.06 0.91 -0.12 0.00 0.05 0.00 0.00 55.36 56.14 1frs s GLN 72 Cb -0.14 0.17 0.07 0.00 1.10 0.00 0.00 33.01 34.21 1frs s GLN 72 CO -0.02 -0.25 0.87 0.41 -0.55 0.00 0.00 175.29 175.75 1frs n GLY 73 N 5.27 -0.51 2.09 2.59 0.00 -1.26 -0.92 105.19 112.46 1frs n GLY 73 Ca -0.09 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1frs n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frs n GLY 74 N -1.62 0.58 3.14 -0.02 0.00 -1.26 -5.02 105.19 100.99 1frs n GLY 74 Ca 0.01 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1frs n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frs s VAL 75 N -2.07 2.21 -0.09 1.61 1.01 -0.10 -5.09 120.40 117.87 1frs s VAL 75 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1frs s VAL 75 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1frs s VAL 75 CO 0.00 0.51 0.13 -1.83 0.00 0.00 0.00 175.10 173.91 1frs s GLU 76 N 1.30 3.39 0.01 2.72 -1.05 -1.26 -1.09 118.70 122.72 1frs s GLU 76 Ca 0.05 -0.20 0.01 0.00 -0.15 0.00 0.00 54.97 54.68 1frs s GLU 76 Cb -0.13 -3.13 -0.01 0.00 -0.44 0.00 0.00 34.13 30.42 1frs s GLU 76 CO -0.12 0.75 -0.04 -0.51 0.95 0.00 0.00 175.26 176.29 1frs s LEU 77 N -1.19 2.09 -0.26 1.83 1.43 0.83 -4.97 118.68 118.44 1frs s LEU 77 Ca 0.17 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1frs s LEU 77 Cb -0.12 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.97 1frs s LEU 77 CO 0.07 -0.06 1.23 -2.16 0.23 0.00 0.00 176.35 175.66 1frs s PRO 78 N -0.57 4.06 0.27 1.29 0.04 -1.26 -0.19 135.00 138.63 1frs s PRO 78 Ca -0.03 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.37 1frs s PRO 78 Cb -0.04 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1frs s PRO 78 CO -0.00 -0.93 0.16 0.14 0.04 0.00 0.00 177.00 176.40 1frs s VAL 79 N 3.92 0.21 -0.18 -0.36 -7.23 -0.68 -4.69 120.40 111.40 1frs s VAL 79 Ca 0.53 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.61 1frs s VAL 79 Cb -0.17 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 1frs s VAL 79 CO 0.18 0.00 0.13 0.00 -0.31 0.00 0.00 175.10 175.10 1frs s ALA 80 N -3.79 3.73 0.31 1.32 0.00 -1.18 -1.88 121.76 120.27 1frs s ALA 80 Ca 0.38 -0.68 0.11 0.00 0.00 0.00 0.00 51.96 51.77 1frs s ALA 80 Cb 0.06 -2.12 0.48 0.00 0.00 0.00 0.00 23.12 21.54 1frs s ALA 80 CO 0.17 0.28 1.69 0.00 0.00 0.00 0.00 175.76 177.89 1frs h ALA 81 N 6.25 1.12 -2.28 0.00 0.00 -0.92 -3.47 119.26 119.96 1frs h ALA 81 Ca -0.44 -0.47 0.26 0.00 0.00 0.00 0.00 54.91 54.25 1frs h ALA 81 Cb 1.17 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1frs h ALA 81 CO 0.71 0.65 0.76 1.67 0.00 0.00 0.00 179.25 183.04 1frs s TRP 82 N -3.85 0.04 0.04 0.00 1.48 -1.26 -4.99 118.94 110.41 1frs s TRP 82 Ca -0.02 -0.28 -0.06 0.00 -1.06 0.00 0.00 56.10 54.68 1frs s TRP 82 Cb 0.13 0.62 -0.01 0.00 -1.16 0.00 0.00 33.47 33.05 1frs s TRP 82 CO 0.75 -0.56 0.10 1.03 -4.06 0.00 0.00 176.95 174.21 1frs s ARG 83 N -2.12 0.60 0.13 3.25 0.52 -1.26 -1.28 118.95 118.79 1frs s ARG 83 Ca 0.25 -0.77 0.10 0.00 -0.52 0.00 0.00 55.73 54.79 1frs s ARG 83 Cb -0.01 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 1frs s ARG 83 CO 0.02 -0.15 -0.25 -1.54 0.02 0.00 0.00 175.30 173.40 1frs s SER 84 N -2.18 3.09 -0.08 0.23 1.04 -0.17 -4.94 113.70 110.70 1frs s SER 84 Ca -0.04 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.67 1frs s SER 84 Cb -0.01 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.92 1frs s SER 84 CO -0.05 0.13 -0.19 -0.31 0.98 0.00 0.00 173.24 173.80 1frs s TYR 85 N -1.20 2.07 0.05 5.02 1.51 -1.26 -1.94 117.35 121.59 1frs s TYR 85 Ca 0.13 -0.82 0.09 0.00 -1.01 0.00 0.00 57.07 55.46 1frs s TYR 85 Cb -0.10 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1frs s TYR 85 CO 0.06 -0.36 -0.26 1.41 -1.11 0.00 0.00 175.55 175.30 1frs s MET 86 N 0.49 1.70 -0.23 -0.62 1.75 -0.64 -5.02 119.30 116.73 1frs s MET 86 Ca -0.17 -1.10 -0.18 0.00 -1.25 0.00 0.00 55.69 52.98 1frs s MET 86 Cb -0.17 -1.89 0.06 0.00 2.84 0.00 0.00 34.83 35.67 1frs s MET 86 CO 0.07 0.49 0.60 1.21 -0.65 0.00 0.00 175.02 176.73 1frs s ASN 87 N -1.30 -0.69 0.16 1.11 2.47 -1.26 -0.72 114.94 114.71 1frs s ASN 87 Ca 0.11 1.25 -0.12 0.00 0.42 0.00 0.00 52.86 54.52 1frs s ASN 87 Cb -0.10 1.21 0.01 0.00 -1.45 0.00 0.00 41.25 40.92 1frs s ASN 87 CO 0.02 -0.22 0.36 0.00 -3.72 0.00 0.00 177.10 173.55 1frs s MET 88 N 0.78 1.18 -0.04 0.43 0.23 0.12 -4.99 119.30 117.01 1frs s MET 88 Ca -0.04 -1.00 0.02 0.00 -1.03 0.00 0.00 55.69 53.64 1frs s MET 88 Cb -0.05 0.43 0.01 0.00 -1.53 0.00 0.00 34.83 33.69 1frs s MET 88 CO -0.06 -0.46 -0.08 -1.21 -2.03 0.00 0.00 175.02 171.18 1frs s GLU 89 N -3.91 1.09 -0.03 3.16 2.02 -1.26 -1.31 118.70 118.46 1frs s GLU 89 Ca 0.12 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 54.89 1frs s GLU 89 Cb 0.02 -0.99 -0.00 0.00 0.10 0.00 0.00 34.13 33.25 1frs s GLU 89 CO -0.03 0.02 -0.13 -1.17 0.02 0.00 0.00 175.26 173.96 1frs s LEU 90 N 0.56 1.88 -0.11 1.80 2.96 -0.26 -4.97 118.68 120.54 1frs s LEU 90 Ca -0.09 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1frs s LEU 90 Cb -0.13 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.80 1frs s LEU 90 CO 0.01 0.12 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.07 1frs s THR 91 N 0.03 2.35 -0.02 3.68 2.01 -1.26 -0.10 115.64 122.33 1frs s THR 91 Ca -0.02 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1frs s THR 91 Cb -0.09 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.52 1frs s THR 91 CO 0.01 0.55 0.02 -0.63 -0.69 0.00 0.00 174.62 173.88 1frs s ILE 92 N 0.38 0.01 1.16 1.82 1.01 -0.52 -4.98 121.20 120.07 1frs s ILE 92 Ca -0.16 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.52 1frs s ILE 92 Cb -0.17 -0.13 0.20 0.00 0.01 0.00 0.00 42.46 42.36 1frs s ILE 92 CO 0.07 0.10 0.49 -2.65 0.00 0.00 0.00 174.94 172.96 1frs n PRO 93 N 4.17 -2.08 0.11 2.79 -0.02 -1.26 -1.02 135.00 137.70 1frs n PRO 93 Ca -0.28 -0.58 0.02 0.00 -2.02 0.00 0.00 63.50 60.64 1frs n PRO 93 Cb 0.50 -1.92 -0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1frs n PRO 93 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1frs h VAL 94 N -2.40 0.72 0.00 -1.45 2.07 -1.44 -3.09 116.25 110.67 1frs h VAL 94 Ca -0.58 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1frs h VAL 94 Cb 1.35 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1frs h VAL 94 CO 0.44 0.41 0.00 0.49 0.02 0.00 0.00 177.57 178.93 1frs n PHE 95 N -3.11 0.00 -2.30 1.57 3.72 -1.26 -4.74 117.46 111.34 1frs n PHE 95 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 1frs n PHE 95 Cb 0.75 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.27 1frs n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1frs s ALA 96 N -2.00 3.63 0.74 4.37 0.00 -1.17 -4.96 121.76 122.37 1frs s ALA 96 Ca 0.38 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 1frs s ALA 96 Cb 0.17 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.70 1frs s ALA 96 CO 0.29 -1.16 1.12 0.95 0.00 0.00 0.00 175.76 176.97 1frs s THR 97 N 3.37 2.83 0.40 0.00 -4.23 -1.26 -4.95 115.64 111.80 1frs s THR 97 Ca 0.61 0.24 0.08 0.00 -1.18 0.00 0.00 61.69 61.43 1frs s THR 97 Cb -0.26 -3.26 0.28 0.00 1.34 0.00 0.00 72.50 70.60 1frs s THR 97 CO 0.20 -0.34 2.03 0.78 -0.54 0.00 0.00 174.62 176.75 1frs h ASN 98 N -0.80 0.50 0.43 3.99 4.21 -1.99 0.21 115.58 122.12 1frs h ASN 98 Ca -0.45 -0.01 -0.10 0.00 1.21 0.00 0.00 56.30 56.95 1frs h ASN 98 Cb 1.29 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.36 1frs h ASN 98 CO 0.64 0.35 -0.45 0.44 -1.29 0.00 0.00 177.43 177.13 1frs h ASP 99 N 0.59 0.03 -0.44 5.81 3.32 -2.00 -1.64 116.42 122.08 1frs h ASP 99 Ca 0.20 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1frs h ASP 99 Cb 0.07 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1frs h ASP 99 CO -0.05 0.47 0.03 0.44 -1.72 0.00 0.00 179.24 178.41 1frs h ASP 100 N 0.02 0.73 -0.80 6.45 3.32 -0.98 -1.86 116.42 123.30 1frs h ASP 100 Ca -0.00 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 56.82 1frs h ASP 100 Cb 0.80 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 1frs h ASP 100 CO 0.06 0.83 0.49 0.00 -1.72 0.00 0.00 179.24 178.90 1frs h ALA 102 N 1.39 0.32 -0.86 0.00 0.00 -0.91 0.17 119.26 119.35 1frs h ALA 102 Ca 0.35 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.49 1frs h ALA 102 Cb 0.17 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1frs h ALA 102 CO -0.17 -0.44 0.54 1.25 0.00 0.00 0.00 179.25 180.43 1frs h LEU 103 N 0.02 0.84 -0.33 0.00 5.85 0.15 0.05 115.31 121.89 1frs h LEU 103 Ca 0.21 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1frs h LEU 103 Cb 0.33 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1frs h LEU 103 CO -0.44 0.54 0.21 0.40 -0.34 0.00 0.00 178.44 178.81 1frs h ILE 104 N 0.98 1.11 -0.43 4.05 2.04 0.36 0.26 117.51 125.88 1frs h ILE 104 Ca 0.38 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 66.07 1frs h ILE 104 Cb 0.18 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 1frs h ILE 104 CO -0.18 0.11 0.06 0.58 0.00 0.00 0.00 178.15 178.72 1frs h VAL 105 N 0.43 0.73 -0.70 1.67 2.07 0.75 0.47 116.25 121.68 1frs h VAL 105 Ca 0.12 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.59 1frs h VAL 105 Cb -0.01 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1frs h VAL 105 CO -0.02 0.03 0.46 0.11 0.02 0.00 0.00 177.57 178.17 1frs h LYS 106 N 0.18 0.91 -0.53 1.57 1.57 0.50 0.38 116.57 121.15 1frs h LYS 106 Ca 0.21 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1frs h LYS 106 Cb 0.29 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1frs h LYS 106 CO -0.31 0.60 0.04 0.00 -0.57 0.00 0.00 179.45 179.22 1frs h ALA 107 N 1.57 1.07 -0.34 3.86 0.00 0.17 0.45 119.26 126.04 1frs h ALA 107 Ca 0.26 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1frs h ALA 107 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1frs h ALA 107 CO -0.06 0.59 -0.02 -0.07 0.00 0.00 0.00 179.25 179.70 1frs h LEU 108 N 0.82 0.61 -0.51 0.00 3.38 0.18 0.56 115.31 120.34 1frs h LEU 108 Ca 0.16 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1frs h LEU 108 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1frs h LEU 108 CO 0.02 0.78 0.30 1.56 0.09 0.00 0.00 178.44 181.19 1frs h GLN 109 N 0.42 0.69 -0.43 1.13 4.20 -0.14 -0.62 115.11 120.36 1frs h GLN 109 Ca 0.09 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.81 1frs h GLN 109 Cb 0.48 -0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.02 1frs h GLN 109 CO 0.02 0.51 -0.40 0.78 -0.67 0.00 0.00 178.83 179.08 1frs h GLY 110 N 0.68 -0.44 1.49 3.46 0.00 0.29 0.52 103.07 109.08 1frs h GLY 110 Ca 0.18 0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.98 1frs h GLY 110 CO -0.03 -0.19 0.11 -0.91 0.00 0.00 0.00 176.54 175.52 1frs h THR 111 N -0.29 1.19 -0.01 4.70 1.35 0.71 -2.12 112.91 118.44 1frs h THR 111 Ca 0.16 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1frs h THR 111 Cb 0.57 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1frs h THR 111 CO -0.58 0.25 -0.34 0.49 -0.25 0.00 0.00 175.52 175.09 1frs n PHE 112 N -4.32 0.00 -1.80 4.73 3.72 -0.28 -3.95 117.46 115.57 1frs n PHE 112 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 1frs n PHE 112 Cb 0.19 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.64 1frs n PHE 112 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1frs s LYS 113 N -2.51 4.12 0.53 -1.08 2.20 0.17 -4.72 119.74 118.45 1frs s LYS 113 Ca 0.22 2.56 -0.21 0.00 -0.36 0.00 0.00 55.97 58.19 1frs s LYS 113 Cb 0.19 -3.01 -0.07 0.00 -1.51 0.00 0.00 37.83 33.43 1frs s LYS 113 CO 0.54 -0.59 1.00 0.25 -0.36 0.00 0.00 175.35 176.20 1frs n THR 114 N 1.60 3.16 0.00 3.43 -2.24 -1.26 -1.61 114.28 117.35 1frs n THR 114 Ca 0.06 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1frs n THR 114 Cb 0.38 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1frs n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1frs n GLY 115 N 1.21 2.04 3.81 3.38 0.00 -1.26 -5.00 105.19 109.37 1frs n GLY 115 Ca 0.11 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1frs n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1frs s ASN 116 N 0.11 6.53 0.45 1.61 0.01 -0.64 -4.80 114.94 118.22 1frs s ASN 116 Ca 0.00 1.81 0.22 0.00 -0.71 0.00 0.00 52.86 54.18 1frs s ASN 116 Cb 0.00 -2.55 1.08 0.00 0.41 0.00 0.00 41.25 40.20 1frs s ASN 116 CO 0.00 -0.65 1.92 -0.65 -1.51 0.00 0.00 177.10 176.22 1frs h PRO 117 N 1.55 0.00 0.48 -0.60 0.11 -1.86 -0.74 132.00 130.93 1frs h PRO 117 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1frs h PRO 117 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1frs h PRO 117 CO 0.60 0.23 -0.23 0.82 -0.21 0.00 0.00 178.00 179.20 1frs h ILE 118 N 0.00 0.45 -0.97 4.15 2.04 -1.91 -1.22 117.51 120.06 1frs h ILE 118 Ca -0.00 -0.36 0.19 0.00 1.00 0.00 0.00 64.86 65.69 1frs h ILE 118 Cb 0.56 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.15 1frs h ILE 118 CO 0.03 0.06 0.61 0.00 0.00 0.00 0.00 178.15 178.85 1frs h ALA 119 N -0.51 1.89 0.09 1.87 0.00 -1.28 0.40 119.26 121.72 1frs h ALA 119 Ca -0.07 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1frs h ALA 119 Cb 0.59 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.34 1frs h ALA 119 CO 0.11 -0.22 -1.19 1.79 0.00 0.00 0.00 179.25 179.73 1frs h THR 120 N 0.63 1.28 -0.37 0.00 1.35 -1.27 -3.03 112.91 111.50 1frs h THR 120 Ca 0.53 -2.40 -0.00 0.00 -0.55 0.00 0.00 66.41 63.99 1frs h THR 120 Cb 1.00 2.62 -0.02 0.00 -1.73 0.00 0.00 68.15 70.02 1frs h THR 120 CO -0.29 0.73 0.22 0.00 -0.25 0.00 0.00 175.52 175.94 1frs h ALA 121 N 0.31 0.48 -0.45 6.62 0.00 0.98 -1.62 119.26 125.58 1frs h ALA 121 Ca -0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1frs h ALA 121 Cb 1.86 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1frs h ALA 121 CO 0.23 -0.02 0.27 0.82 0.00 0.00 0.00 179.25 180.55 1frs h ILE 122 N 0.49 1.14 0.00 0.00 2.04 -1.16 0.18 117.51 120.19 1frs h ILE 122 Ca 0.13 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1frs h ILE 122 Cb 0.01 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1frs h ILE 122 CO -0.02 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1frs n ALA 123 N -2.24 1.52 0.22 1.87 0.00 -0.95 -1.04 120.51 119.89 1frs n ALA 123 Ca 0.01 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1frs n ALA 123 Cb 0.05 -1.26 0.21 0.00 0.00 0.00 0.00 19.45 18.45 1frs n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1frs n ALA 124 N -1.61 2.40 -3.83 0.00 0.00 0.36 -4.91 120.51 112.91 1frs n ALA 124 Ca 0.02 -1.01 -0.26 0.00 0.00 0.00 0.00 53.44 52.20 1frs n ALA 124 Cb 0.15 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 18.82 1frs n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1frs n ASN 125 N 1.38 -2.52 -4.24 0.00 3.02 -0.21 -4.96 115.26 107.73 1frs n ASN 125 Ca 0.18 -0.83 -0.20 0.00 -0.03 0.00 0.00 54.58 53.70 1frs n ASN 125 Cb 0.58 -3.82 -0.10 0.00 -0.61 0.00 0.00 39.78 35.83 1frs n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1frs s SER 126 N -3.93 1.81 0.00 6.41 0.01 0.29 -5.02 113.70 113.27 1frs s SER 126 Ca 0.28 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 56.07 1frs s SER 126 Cb -0.14 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1frs s SER 126 CO 0.83 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1frs n GLY 127 N -0.62 4.20 3.96 3.44 0.00 -1.26 -4.09 105.19 110.82 1frs n GLY 127 Ca -0.01 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.95 1frs n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1frs s ILE 128 N 2.29 5.24 0.00 -0.61 -1.09 -1.26 -4.75 121.20 121.02 1frs s ILE 128 Ca 0.00 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1frs s ILE 128 Cb 0.00 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1frs s ILE 128 CO 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 174.94 173.39