#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2g s SER 2 N 0.00 -0.11 0.00 0.00 0.15 -1.26 -5.02 113.70 107.46 2b2g s SER 2 Ca 0.00 0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.88 2b2g s SER 2 Cb 0.00 0.49 0.06 0.00 -1.71 0.00 0.00 66.02 64.86 2b2g s SER 2 CO 0.00 -0.03 0.86 -0.46 1.20 0.00 0.00 173.24 174.81 2b2g n ASN 3 N 2.18 1.82 -3.91 5.45 6.94 -1.26 -4.72 115.26 121.75 2b2g n ASN 3 Ca -0.13 -1.60 -0.43 0.00 -0.02 0.00 0.00 54.58 52.41 2b2g n ASN 3 Cb 0.57 -0.04 0.01 0.00 -2.36 0.00 0.00 39.78 37.95 2b2g n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2b2g n PHE 4 N 0.00 2.69 -4.52 -2.53 7.35 -1.26 -4.92 117.46 114.27 2b2g n PHE 4 Ca 0.03 -2.71 -0.26 0.00 -0.76 0.00 0.00 57.45 53.75 2b2g n PHE 4 Cb 0.20 -1.71 -0.08 0.00 0.35 0.00 0.00 39.48 38.24 2b2g n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2b2g s THR 5 N -0.71 0.65 0.32 -2.13 -4.23 -1.26 -4.83 115.64 103.44 2b2g s THR 5 Ca 0.37 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.59 2b2g s THR 5 Cb 0.08 -2.37 -0.10 0.00 1.34 0.00 0.00 72.50 71.46 2b2g s THR 5 CO 0.04 0.00 1.18 -1.58 -0.54 0.00 0.00 174.62 173.72 2b2g s GLN 6 N -3.72 4.42 0.15 3.99 0.74 -1.26 -4.52 119.66 119.45 2b2g s GLN 6 Ca 0.24 1.95 -0.13 0.00 0.05 0.00 0.00 55.36 57.47 2b2g s GLN 6 Cb 0.03 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 31.11 2b2g s GLN 6 CO 0.14 -0.03 0.37 -0.59 -0.55 0.00 0.00 175.29 174.63 2b2g s PHE 7 N -1.21 0.03 -0.30 1.67 -0.71 -0.73 -5.01 117.98 111.72 2b2g s PHE 7 Ca 0.49 -0.39 -0.25 0.00 -1.04 0.00 0.00 56.93 55.74 2b2g s PHE 7 Cb -0.34 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.63 2b2g s PHE 7 CO 0.45 -0.74 0.85 0.08 -1.34 0.00 0.00 175.22 174.52 2b2g s VAL 8 N -3.87 4.74 -0.12 -2.49 1.01 -1.26 -1.56 120.40 116.85 2b2g s VAL 8 Ca 0.09 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.24 2b2g s VAL 8 Cb 0.02 -4.20 -0.26 0.00 0.00 0.00 0.00 36.38 31.94 2b2g s VAL 8 CO -0.06 -0.27 0.52 0.25 0.00 0.00 0.00 175.10 175.54 2b2g h LEU 9 N 9.54 0.31 -8.19 3.92 5.85 -1.28 -3.45 115.31 122.01 2b2g h LEU 9 Ca -0.23 -0.82 -0.67 0.00 0.84 0.00 0.00 57.88 57.00 2b2g h LEU 9 Cb 1.09 -0.10 -0.34 0.00 0.37 0.00 0.00 40.66 41.68 2b2g h LEU 9 CO 0.91 1.57 -0.87 -0.69 -0.34 0.00 0.00 178.44 179.02 2b2g s VAL 10 N -2.45 2.00 -0.44 1.05 1.01 -0.94 -4.98 120.40 115.64 2b2g s VAL 10 Ca -0.21 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.71 2b2g s VAL 10 Cb 0.04 -1.77 0.08 0.00 0.00 0.00 0.00 36.38 34.73 2b2g s VAL 10 CO 0.74 0.54 0.31 -0.62 0.00 0.00 0.00 175.10 176.07 2b2g s ASP 11 N 0.79 5.82 -0.68 3.32 3.68 -1.26 -0.85 116.67 127.49 2b2g s ASP 11 Ca -0.08 -1.48 0.01 0.00 2.13 0.00 0.00 52.55 53.13 2b2g s ASP 11 Cb -0.16 -2.06 0.38 0.00 -1.45 0.00 0.00 42.92 39.64 2b2g s ASP 11 CO -0.01 -0.59 1.65 0.59 0.13 0.00 0.00 175.17 176.94 2b2g n ASN 12 N 5.02 6.36 0.00 -0.34 3.02 -1.26 -4.96 115.26 123.10 2b2g n ASN 12 Ca -0.11 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.65 2b2g n ASN 12 Cb 0.43 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2b2g n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b2g n GLY 13 N -0.52 1.88 0.11 7.41 0.00 -1.26 -3.07 105.19 109.73 2b2g n GLY 13 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2b2g n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2g n GLY 14 N 0.00 0.02 0.00 -0.02 0.00 -1.26 -4.96 105.19 98.97 2b2g n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2b2g n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b2g n THR 15 N 0.00 0.00 0.00 2.61 -2.24 -1.18 -4.74 114.28 108.74 2b2g n THR 15 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2b2g n THR 15 Cb 0.51 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2b2g n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b2g n GLY 16 N 3.77 0.00 3.15 3.38 0.00 -1.25 -4.81 105.19 109.43 2b2g n GLY 16 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.44 2b2g n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b2g n ASP 17 N -0.88 0.87 -4.56 1.61 9.92 -1.26 -4.70 116.55 117.54 2b2g n ASP 17 Ca 0.00 0.82 -0.42 0.00 -0.53 0.00 0.00 54.79 54.66 2b2g n ASP 17 Cb 0.00 -0.81 -0.06 0.00 -0.64 0.00 0.00 41.12 39.61 2b2g n ASP 17 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2b2g s VAL 18 N 4.24 4.86 -0.10 2.53 1.01 -0.03 -4.97 120.40 127.94 2b2g s VAL 18 Ca 1.03 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.55 2b2g s VAL 18 Cb -1.36 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 30.87 2b2g s VAL 18 CO 0.66 -0.37 -0.01 -0.89 0.00 0.00 0.00 175.10 174.49 2b2g s THR 19 N 2.78 4.21 -0.08 3.92 2.01 -1.26 -0.72 115.64 126.50 2b2g s THR 19 Ca 0.25 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.02 2b2g s THR 19 Cb -0.14 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.59 2b2g s THR 19 CO 0.16 0.59 -0.24 0.54 -0.69 0.00 0.00 174.62 174.97 2b2g s VAL 20 N -0.68 2.03 0.19 3.82 0.11 -0.60 -4.07 120.40 121.20 2b2g s VAL 20 Ca 0.11 -1.02 0.11 0.00 -2.93 0.00 0.00 61.98 58.24 2b2g s VAL 20 Cb -0.12 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 2b2g s VAL 20 CO 0.02 0.56 -0.19 0.00 -3.33 0.00 0.00 175.10 172.16 2b2g s ALA 21 N 0.14 2.67 0.48 1.54 0.00 -0.63 -1.78 121.76 124.18 2b2g s ALA 21 Ca -0.13 -1.58 -0.22 0.00 0.00 0.00 0.00 51.96 50.03 2b2g s ALA 21 Cb -0.16 -0.47 -0.10 0.00 0.00 0.00 0.00 23.12 22.40 2b2g s ALA 21 CO 0.07 0.44 0.82 -2.30 0.00 0.00 0.00 175.76 174.79 2b2g n PRO 22 N 0.20 0.95 0.00 0.00 -0.02 -1.26 -0.76 135.00 134.12 2b2g n PRO 22 Ca -0.12 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2b2g n PRO 22 Cb 0.56 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2b2g n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2b2g n SER 23 N 0.44 0.95 -3.58 2.55 3.41 0.34 -4.73 113.62 113.01 2b2g n SER 23 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.60 2b2g n SER 23 Cb 0.42 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 2b2g n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b2g s ASN 24 N -2.47 -0.48 -0.35 4.04 3.84 -1.18 -5.03 114.94 113.30 2b2g s ASN 24 Ca 0.00 0.63 0.14 0.00 0.21 0.00 0.00 52.86 53.85 2b2g s ASN 24 Cb 0.00 0.54 0.40 0.00 -0.55 0.00 0.00 41.25 41.63 2b2g s ASN 24 CO 0.00 -0.37 0.83 0.33 -2.79 0.00 0.00 177.10 175.10 2b2g n PHE 25 N 1.16 0.66 -3.64 0.43 7.35 -1.26 -0.68 117.46 121.48 2b2g n PHE 25 Ca -0.13 -3.39 -0.35 0.00 -0.76 0.00 0.00 57.45 52.82 2b2g n PHE 25 Cb 0.57 -0.40 -0.05 0.00 0.35 0.00 0.00 39.48 39.95 2b2g n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b2g s ALA 26 N -2.74 3.77 -1.37 3.13 0.00 -1.23 -4.44 121.76 118.89 2b2g s ALA 26 Ca 0.35 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 2b2g s ALA 26 Cb 0.40 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 21.34 2b2g s ALA 26 CO -0.03 0.59 0.95 0.09 0.00 0.00 0.00 175.76 177.35 2b2g n ASN 27 N 1.08 -3.54 -0.74 0.00 4.13 -1.26 -2.15 115.26 112.78 2b2g n ASN 27 Ca -0.10 -0.71 -0.10 0.00 1.68 0.00 0.00 54.58 55.35 2b2g n ASN 27 Cb 0.53 -4.42 -0.04 0.00 -1.54 0.00 0.00 39.78 34.31 2b2g n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2b2g n GLY 28 N -1.63 0.98 3.11 7.41 0.00 -1.26 -4.95 105.19 108.84 2b2g n GLY 28 Ca -0.13 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2b2g n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b2g s VAL 29 N -1.95 2.63 0.27 1.61 1.01 -0.91 -4.46 120.40 118.60 2b2g s VAL 29 Ca 0.00 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 59.99 2b2g s VAL 29 Cb 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 2b2g s VAL 29 CO 0.00 -0.22 0.97 0.00 0.00 0.00 0.00 175.10 175.85 2b2g s ALA 30 N 1.13 3.31 -0.02 5.51 0.00 -0.18 -3.49 121.76 128.02 2b2g s ALA 30 Ca -0.02 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.59 2b2g s ALA 30 Cb -0.20 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.71 2b2g s ALA 30 CO -0.04 0.13 -0.04 -2.00 0.00 0.00 0.00 175.76 173.81 2b2g s GLU 31 N -1.46 0.53 -0.01 0.00 2.12 0.14 -1.54 118.70 118.48 2b2g s GLU 31 Ca 0.44 -0.09 0.08 0.00 0.36 0.00 0.00 54.97 55.77 2b2g s GLU 31 Cb -0.25 -0.58 -0.02 0.00 0.26 0.00 0.00 34.13 33.54 2b2g s GLU 31 CO 0.31 -0.02 -0.25 -1.58 -0.54 0.00 0.00 175.26 173.18 2b2g s TRP 32 N 0.55 2.36 0.00 5.30 0.51 0.86 -0.50 118.94 128.01 2b2g s TRP 32 Ca -0.06 -0.41 0.01 0.00 -2.12 0.00 0.00 56.10 53.52 2b2g s TRP 32 Cb -0.10 -1.48 -0.00 0.00 -0.81 0.00 0.00 33.47 31.08 2b2g s TRP 32 CO -0.00 0.02 -0.03 0.42 -0.51 0.00 0.00 176.95 176.84 2b2g s ILE 33 N -0.67 0.25 0.80 2.03 -1.09 0.06 -1.39 121.20 121.20 2b2g s ILE 33 Ca 0.11 -0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 58.21 2b2g s ILE 33 Cb -0.10 -0.23 0.07 0.00 -1.58 0.00 0.00 42.46 40.62 2b2g s ILE 33 CO -0.00 0.03 1.10 -0.94 -1.23 0.00 0.00 174.94 173.89 2b2g s SER 34 N -0.20 4.50 0.97 3.58 1.04 -0.71 -1.61 113.70 121.28 2b2g s SER 34 Ca 0.00 1.31 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 2b2g s SER 34 Cb -0.02 -2.05 0.17 0.00 0.10 0.00 0.00 66.02 64.23 2b2g s SER 34 CO -0.00 -1.96 1.13 -0.55 0.98 0.00 0.00 173.24 172.83 2b2g s SER 35 N -3.90 2.91 0.13 7.02 0.15 -1.26 -4.68 113.70 114.07 2b2g s SER 35 Ca 0.61 0.97 0.00 0.00 0.70 0.00 0.00 55.95 58.22 2b2g s SER 35 Cb -0.14 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 2b2g s SER 35 CO 0.54 -2.93 0.00 0.59 1.20 0.00 0.00 173.24 172.64 2b2g n ASN 36 N -4.01 -3.04 -0.96 5.45 3.02 -1.26 -4.79 115.26 109.67 2b2g n ASN 36 Ca 0.07 0.53 -0.14 0.00 -0.03 0.00 0.00 54.58 55.01 2b2g n ASN 36 Cb 0.59 -1.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.25 2b2g n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2b2g n SER 37 N -2.07 0.23 -0.16 6.41 7.64 -1.26 -4.72 113.62 119.68 2b2g n SER 37 Ca 0.00 0.22 0.08 0.00 1.01 0.00 0.00 58.87 60.19 2b2g n SER 37 Cb 0.22 -0.18 0.39 0.00 -1.01 0.00 0.00 64.21 63.64 2b2g n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2b2g h ARG 38 N 1.21 0.64 -0.11 1.43 9.65 -1.91 -0.79 114.38 124.50 2b2g h ARG 38 Ca -0.08 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 2b2g h ARG 38 Cb 0.28 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2b2g h ARG 38 CO 0.21 0.42 0.12 0.66 2.80 0.00 0.00 179.97 184.18 2b2g h SER 39 N 0.66 0.00 -0.03 -3.80 4.64 -1.87 -2.13 113.55 111.02 2b2g h SER 39 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2b2g h SER 39 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2b2g h SER 39 CO -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.85 2b2g n GLN 40 N -3.84 1.89 -2.82 4.77 6.02 -0.35 -3.73 117.38 119.32 2b2g n GLN 40 Ca -0.00 -2.32 -0.29 0.00 -0.01 0.00 0.00 57.00 54.38 2b2g n GLN 40 Cb 0.23 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.07 2b2g n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b2g s ALA 41 N -2.35 3.40 0.31 -1.58 0.00 -0.80 -4.86 121.76 115.88 2b2g s ALA 41 Ca 0.25 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 2b2g s ALA 41 Cb 0.21 -2.62 -0.09 0.00 0.00 0.00 0.00 23.12 20.62 2b2g s ALA 41 CO 0.03 -0.12 0.77 0.71 0.00 0.00 0.00 175.76 177.15 2b2g s TYR 42 N -2.49 3.44 -0.00 0.00 1.51 -1.26 -4.64 117.35 113.90 2b2g s TYR 42 Ca 0.49 1.33 0.03 0.00 -1.01 0.00 0.00 57.07 57.91 2b2g s TYR 42 Cb -0.10 -2.61 -0.01 0.00 -0.11 0.00 0.00 41.96 39.13 2b2g s TYR 42 CO 0.37 0.13 -0.10 0.21 -1.11 0.00 0.00 175.55 175.04 2b2g s LYS 43 N -2.73 0.83 -0.03 -0.62 2.20 -1.15 -1.74 119.74 116.51 2b2g s LYS 43 Ca 0.52 -0.39 -0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2b2g s LYS 43 Cb -0.12 -0.80 0.03 0.00 -1.51 0.00 0.00 37.83 35.43 2b2g s LYS 43 CO 0.18 0.22 0.05 0.08 -0.36 0.00 0.00 175.35 175.52 2b2g s VAL 44 N -0.29 -0.06 0.13 4.02 1.01 -0.48 -0.89 120.40 123.84 2b2g s VAL 44 Ca 0.04 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.28 2b2g s VAL 44 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 2b2g s VAL 44 CO -0.00 0.09 -0.11 0.42 0.00 0.00 0.00 175.10 175.49 2b2g s THR 45 N 1.10 1.17 -0.04 3.92 -4.23 0.02 -0.10 115.64 117.48 2b2g s THR 45 Ca -0.09 -1.84 -0.26 0.00 -1.18 0.00 0.00 61.69 58.32 2b2g s THR 45 Cb -0.13 -1.62 0.06 0.00 1.34 0.00 0.00 72.50 72.15 2b2g s THR 45 CO -0.03 -0.59 0.56 0.00 -0.54 0.00 0.00 174.62 174.02 2b2g s SER 47 N -1.22 -0.53 0.07 0.00 1.04 -1.10 -1.01 113.70 110.94 2b2g s SER 47 Ca -0.12 0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.83 2b2g s SER 47 Cb -0.02 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 2b2g s SER 47 CO 0.08 -0.58 -0.16 -0.69 0.98 0.00 0.00 173.24 172.87 2b2g s VAL 48 N -1.72 1.28 -0.12 5.02 1.01 -1.26 -1.17 120.40 123.44 2b2g s VAL 48 Ca -0.05 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.36 2b2g s VAL 48 Cb -0.00 -1.18 0.11 0.00 0.00 0.00 0.00 36.38 35.30 2b2g s VAL 48 CO 0.02 -0.10 0.88 -0.60 0.00 0.00 0.00 175.10 175.31 2b2g s ARG 49 N -1.57 0.77 -0.80 2.72 3.00 -1.00 -4.97 118.95 117.10 2b2g s ARG 49 Ca 0.01 0.20 -0.25 0.00 -1.00 0.00 0.00 55.73 54.70 2b2g s ARG 49 Cb -0.09 0.36 -0.01 0.00 0.00 0.00 0.00 34.95 35.21 2b2g s ARG 49 CO 0.02 -0.24 1.73 -1.14 0.00 0.00 0.00 175.30 175.68 2b2g s GLN 50 N -1.10 2.85 0.07 5.12 2.00 -1.26 -0.53 119.66 126.80 2b2g s GLN 50 Ca -0.05 -0.14 -0.20 0.00 -2.00 0.00 0.00 55.36 52.97 2b2g s GLN 50 Cb -0.00 -4.76 -0.11 0.00 0.80 0.00 0.00 33.01 28.93 2b2g s GLN 50 CO 0.05 -2.78 1.48 0.66 -0.50 0.00 0.00 175.29 174.20 2b2g h SER 51 N 12.02 0.33 -2.65 6.67 4.64 -1.68 -3.47 113.55 129.41 2b2g h SER 51 Ca -0.06 -0.33 -0.08 0.00 -0.47 0.00 0.00 61.79 60.86 2b2g h SER 51 Cb 1.06 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 2b2g h SER 51 CO 1.26 0.58 -0.07 -1.54 -0.87 0.00 0.00 176.83 176.19 2b2g n SER 52 N -4.69 0.53 -0.16 4.97 3.41 -1.12 -5.00 113.62 111.55 2b2g n SER 52 Ca -0.05 -1.32 -0.03 0.00 -0.26 0.00 0.00 58.87 57.21 2b2g n SER 52 Cb 0.24 0.19 0.17 0.00 -0.26 0.00 0.00 64.21 64.55 2b2g n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b2g h ALA 53 N 1.12 1.21 -0.01 7.33 0.00 -2.03 -3.22 119.26 123.65 2b2g h ALA 53 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2b2g h ALA 53 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2b2g h ALA 53 CO 0.06 0.56 -0.15 1.04 0.00 0.00 0.00 179.25 180.76 2b2g n GLN 54 N -4.29 1.45 -5.05 0.00 6.02 -1.26 -4.95 117.38 109.31 2b2g n GLN 54 Ca 0.05 -0.96 -0.30 0.00 -0.01 0.00 0.00 57.00 55.78 2b2g n GLN 54 Cb 0.20 -1.21 -0.15 0.00 1.02 0.00 0.00 30.24 30.10 2b2g n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2b2g s ASN 55 N -1.39 3.03 0.07 1.08 0.01 -1.22 0.04 114.94 116.56 2b2g s ASN 55 Ca 0.13 -0.53 0.05 0.00 -0.71 0.00 0.00 52.86 51.80 2b2g s ASN 55 Cb 0.11 -0.30 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 2b2g s ASN 55 CO 0.25 0.28 -0.05 -0.13 -1.51 0.00 0.00 177.10 175.94 2b2g s ARG 56 N -0.96 2.42 -0.06 -0.60 0.52 -0.71 -1.85 118.95 117.72 2b2g s ARG 56 Ca 0.11 -0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 2b2g s ARG 56 Cb -0.10 -2.46 0.03 0.00 0.52 0.00 0.00 34.95 32.94 2b2g s ARG 56 CO 0.01 0.55 0.02 0.21 0.02 0.00 0.00 175.30 176.10 2b2g s LYS 57 N -2.06 0.39 0.08 3.54 2.20 0.31 -1.29 119.74 122.90 2b2g s LYS 57 Ca 0.22 0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 55.87 2b2g s LYS 57 Cb -0.11 -0.79 -0.06 0.00 -1.51 0.00 0.00 37.83 35.35 2b2g s LYS 57 CO 0.14 -0.29 0.48 0.71 -0.36 0.00 0.00 175.35 176.03 2b2g s TYR 58 N 1.92 3.68 -0.33 4.03 1.51 0.81 -2.36 117.35 126.61 2b2g s TYR 58 Ca 0.03 1.03 0.01 0.00 -1.01 0.00 0.00 57.07 57.13 2b2g s TYR 58 Cb -0.12 -2.33 0.10 0.00 -0.11 0.00 0.00 41.96 39.50 2b2g s TYR 58 CO -0.04 0.54 0.10 0.99 -1.11 0.00 0.00 175.55 176.03 2b2g s THR 59 N -1.27 1.24 0.07 -0.71 2.01 -0.32 -1.24 115.64 115.43 2b2g s THR 59 Ca 0.31 -1.71 -0.06 0.00 0.31 0.00 0.00 61.69 60.54 2b2g s THR 59 Cb -0.16 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 2b2g s THR 59 CO 0.17 -0.68 0.33 -0.63 -0.69 0.00 0.00 174.62 173.12 2b2g s ILE 60 N 1.35 5.22 -0.12 1.82 -1.09 -0.44 -2.71 121.20 125.23 2b2g s ILE 60 Ca 0.11 0.14 -0.06 0.00 -2.23 0.00 0.00 60.65 58.60 2b2g s ILE 60 Cb -0.18 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 37.14 2b2g s ILE 60 CO -0.19 0.22 0.29 -0.75 -1.23 0.00 0.00 174.94 173.27 2b2g s LYS 61 N -2.15 0.25 0.05 2.79 2.20 -0.29 -1.53 119.74 121.06 2b2g s LYS 61 Ca 0.34 0.60 0.06 0.00 -0.36 0.00 0.00 55.97 56.60 2b2g s LYS 61 Cb -0.13 -0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.07 2b2g s LYS 61 CO 0.20 -0.16 -0.16 0.08 -0.36 0.00 0.00 175.35 174.95 2b2g s VAL 62 N 1.31 1.27 -0.09 4.02 1.01 -0.00 -0.80 120.40 127.12 2b2g s VAL 62 Ca -0.09 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.78 2b2g s VAL 62 Cb -0.10 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.15 2b2g s VAL 62 CO -0.10 0.01 -0.10 -1.61 0.00 0.00 0.00 175.10 173.31 2b2g s GLU 63 N -1.28 1.60 -0.24 2.72 2.02 -0.07 -0.58 118.70 122.88 2b2g s GLU 63 Ca 0.03 -0.32 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 2b2g s GLU 63 Cb -0.08 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.64 2b2g s GLU 63 CO 0.02 -0.14 -0.04 0.08 0.02 0.00 0.00 175.26 175.19 2b2g s VAL 64 N 1.26 3.18 0.30 2.63 1.01 -0.20 -2.91 120.40 125.68 2b2g s VAL 64 Ca -0.03 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 2b2g s VAL 64 Cb -0.14 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2b2g s VAL 64 CO -0.03 0.28 0.58 -2.16 0.00 0.00 0.00 175.10 173.77 2b2g s PRO 65 N 1.41 3.66 -0.55 2.72 0.04 -1.26 -0.28 135.00 140.73 2b2g s PRO 65 Ca 0.03 0.08 -0.09 0.00 0.04 0.00 0.00 61.00 61.05 2b2g s PRO 65 Cb -0.16 -2.61 0.14 0.00 0.04 0.00 0.00 34.50 31.91 2b2g s PRO 65 CO -0.03 0.18 0.43 0.21 0.04 0.00 0.00 177.00 177.82 2b2g s LYS 66 N -3.58 2.67 0.24 4.56 2.47 -0.38 -4.97 119.74 120.75 2b2g s LYS 66 Ca 0.45 -1.98 -0.31 0.00 -1.56 0.00 0.00 55.97 52.56 2b2g s LYS 66 Cb -0.11 -3.98 -0.12 0.00 -1.46 0.00 0.00 37.83 32.16 2b2g s LYS 66 CO 0.30 -1.21 1.62 0.28 0.16 0.00 0.00 175.35 176.50 2b2g n VAL 67 N 4.57 0.56 -3.43 4.02 0.31 -1.26 -0.49 118.33 122.60 2b2g n VAL 67 Ca -0.03 -0.14 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 2b2g n VAL 67 Cb 0.41 -1.87 -0.02 0.00 -0.91 0.00 0.00 33.84 31.45 2b2g n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b2g s ALA 68 N 0.48 -1.63 -0.13 3.52 0.00 -0.89 -4.76 121.76 118.35 2b2g s ALA 68 Ca 0.70 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 2b2g s ALA 68 Cb -0.54 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2b2g s ALA 68 CO 0.42 -0.75 0.05 0.99 0.00 0.00 0.00 175.76 176.47 2b2g s THR 69 N -3.62 4.75 -0.24 0.00 2.01 -1.26 -1.26 115.64 116.02 2b2g s THR 69 Ca 0.01 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 2b2g s THR 69 Cb -0.01 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2b2g s THR 69 CO -0.12 0.55 0.01 -1.58 -0.69 0.00 0.00 174.62 172.79 2b2g s GLN 70 N -0.38 3.40 -0.21 4.92 0.74 0.25 -4.93 119.66 123.44 2b2g s GLN 70 Ca 0.09 -0.63 -0.05 0.00 0.05 0.00 0.00 55.36 54.82 2b2g s GLN 70 Cb -0.12 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.81 2b2g s GLN 70 CO 0.02 -0.24 0.01 0.99 -0.55 0.00 0.00 175.29 175.52 2b2g s THR 71 N 1.52 3.95 -0.10 -0.34 2.01 -1.26 -0.48 115.64 120.94 2b2g s THR 71 Ca 0.05 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 2b2g s THR 71 Cb -0.15 -2.80 0.05 0.00 0.01 0.00 0.00 72.50 69.61 2b2g s THR 71 CO -0.00 0.41 0.19 -0.69 -0.69 0.00 0.00 174.62 173.83 2b2g s VAL 72 N 1.18 -0.29 -0.39 3.82 1.01 -0.44 -4.79 120.40 120.50 2b2g s VAL 72 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2b2g s VAL 72 Cb -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.90 2b2g s VAL 72 CO 0.01 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2b2g n GLY 73 N 5.29 0.61 1.51 4.51 0.00 -1.26 -1.80 105.19 114.06 2b2g n GLY 73 Ca -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2b2g n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2g n GLY 74 N -1.58 0.76 3.49 -0.02 0.00 -1.26 -5.03 105.19 101.55 2b2g n GLY 74 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2b2g n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b2g s VAL 75 N -2.85 4.66 -0.13 1.61 1.01 -0.74 -5.08 120.40 118.88 2b2g s VAL 75 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2b2g s VAL 75 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2b2g s VAL 75 CO 0.00 0.26 0.05 -1.83 0.00 0.00 0.00 175.10 173.58 2b2g s GLU 76 N 1.66 3.45 0.04 2.72 -1.05 -1.26 -1.32 118.70 122.94 2b2g s GLU 76 Ca 0.06 -0.34 0.07 0.00 -0.15 0.00 0.00 54.97 54.61 2b2g s GLU 76 Cb -0.16 -3.02 -0.02 0.00 -0.44 0.00 0.00 34.13 30.49 2b2g s GLU 76 CO 0.06 0.55 -0.19 -0.51 0.95 0.00 0.00 175.26 176.12 2b2g s LEU 77 N -0.42 2.17 -0.11 1.83 1.43 0.37 -4.93 118.68 119.02 2b2g s LEU 77 Ca 0.09 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 2b2g s LEU 77 Cb -0.12 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 2b2g s LEU 77 CO 0.02 0.13 1.18 -2.84 0.23 0.00 0.00 176.35 175.07 2b2g s PRO 78 N -1.20 4.31 0.10 1.29 0.02 -1.26 -0.59 135.00 137.68 2b2g s PRO 78 Ca 0.06 1.61 0.02 0.00 0.02 0.00 0.00 61.00 62.71 2b2g s PRO 78 Cb -0.09 -3.63 -0.01 0.00 0.02 0.00 0.00 34.50 30.80 2b2g s PRO 78 CO 0.02 -0.53 0.08 1.33 -0.33 0.00 0.00 177.00 177.57 2b2g n VAL 79 N 4.91 0.00 -4.09 3.83 0.24 -0.39 -4.70 118.33 118.13 2b2g n VAL 79 Ca 0.12 -0.69 -0.33 0.00 -2.04 0.00 0.00 64.34 61.40 2b2g n VAL 79 Cb 0.46 0.35 -0.16 0.00 -1.47 0.00 0.00 33.84 33.02 2b2g n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b2g s ALA 80 N -2.37 2.45 0.28 2.33 0.00 -1.24 -2.10 121.76 121.11 2b2g s ALA 80 Ca 0.11 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.70 2b2g s ALA 80 Cb 0.01 -1.36 0.64 0.00 0.00 0.00 0.00 23.12 22.40 2b2g s ALA 80 CO 0.08 -0.64 1.77 0.00 0.00 0.00 0.00 175.76 176.97 2b2g h ALA 81 N 7.90 1.49 -2.61 0.00 0.00 -1.08 -3.45 119.26 121.51 2b2g h ALA 81 Ca -0.37 0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.74 2b2g h ALA 81 Cb 1.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2b2g h ALA 81 CO 0.58 -0.04 0.49 1.67 0.00 0.00 0.00 179.25 181.95 2b2g s TRP 82 N -5.91 0.03 0.02 0.00 1.48 -1.26 -5.03 118.94 108.28 2b2g s TRP 82 Ca -0.12 -0.48 0.00 0.00 -1.06 0.00 0.00 56.10 54.45 2b2g s TRP 82 Cb 0.23 0.72 -0.02 0.00 -1.16 0.00 0.00 33.47 33.25 2b2g s TRP 82 CO 0.79 -1.05 -0.03 1.03 -4.06 0.00 0.00 176.95 173.63 2b2g s ARG 83 N -2.48 0.30 -0.20 3.25 0.52 -1.26 -1.25 118.95 117.83 2b2g s ARG 83 Ca 0.18 -0.55 -0.08 0.00 -0.52 0.00 0.00 55.73 54.76 2b2g s ARG 83 Cb -0.03 0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 2b2g s ARG 83 CO 0.06 -0.03 0.08 0.45 0.02 0.00 0.00 175.30 175.88 2b2g s SER 84 N -1.30 5.65 -0.16 0.23 0.15 0.61 -4.94 113.70 113.94 2b2g s SER 84 Ca -0.13 0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.53 2b2g s SER 84 Cb -0.09 -1.98 -0.02 0.00 -1.71 0.00 0.00 66.02 62.22 2b2g s SER 84 CO -0.01 0.12 -0.06 -0.31 1.20 0.00 0.00 173.24 174.19 2b2g s TYR 85 N 0.67 2.97 -0.19 3.44 1.51 -1.26 -1.03 117.35 123.46 2b2g s TYR 85 Ca 0.04 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2b2g s TYR 85 Cb -0.13 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2b2g s TYR 85 CO 0.02 -0.14 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.05 2b2g s LEU 86 N 0.52 2.74 -0.29 -1.29 2.96 0.25 -4.99 118.68 118.58 2b2g s LEU 86 Ca -0.04 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2b2g s LEU 86 Cb -0.15 -1.67 0.09 0.00 0.50 0.00 0.00 46.19 44.97 2b2g s LEU 86 CO 0.03 0.04 0.05 -0.44 -1.32 0.00 0.00 176.35 174.71 2b2g s SER 87 N 1.10 4.07 0.10 3.68 0.01 -1.26 -0.82 113.70 120.58 2b2g s SER 87 Ca 0.01 -1.59 0.08 0.00 1.31 0.00 0.00 55.95 55.76 2b2g s SER 87 Cb -0.15 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 2b2g s SER 87 CO -0.02 -0.36 -0.16 0.00 0.41 0.00 0.00 173.24 173.11 2b2g s MET 88 N 1.43 1.91 -0.10 12.44 0.23 -0.58 -5.01 119.30 129.61 2b2g s MET 88 Ca 0.06 -1.10 -0.00 0.00 -1.03 0.00 0.00 55.69 53.61 2b2g s MET 88 Cb -0.18 -2.17 0.02 0.00 -1.53 0.00 0.00 34.83 30.98 2b2g s MET 88 CO -0.16 0.50 -0.06 -1.21 -2.03 0.00 0.00 175.02 172.06 2b2g s GLU 89 N -2.00 1.35 -0.20 3.16 2.02 -1.26 -1.33 118.70 120.44 2b2g s GLU 89 Ca 0.18 -0.20 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 2b2g s GLU 89 Cb -0.11 -1.44 -0.00 0.00 0.10 0.00 0.00 34.13 32.68 2b2g s GLU 89 CO 0.10 -0.25 -0.09 -1.17 0.02 0.00 0.00 175.26 173.87 2b2g s LEU 90 N 1.65 2.69 -0.19 1.80 2.96 -0.38 -4.96 118.68 122.25 2b2g s LEU 90 Ca 0.03 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 2b2g s LEU 90 Cb -0.13 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2b2g s LEU 90 CO -0.07 0.01 0.03 -0.89 -1.32 0.00 0.00 176.35 174.12 2b2g s THR 91 N 1.29 4.38 -0.10 3.68 2.01 -1.26 -0.14 115.64 125.51 2b2g s THR 91 Ca 0.03 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 2b2g s THR 91 Cb -0.14 -2.98 0.03 0.00 0.01 0.00 0.00 72.50 69.41 2b2g s THR 91 CO -0.04 0.43 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.64 2b2g s ILE 92 N 0.73 0.79 0.75 1.82 1.01 -0.41 -4.98 121.20 120.91 2b2g s ILE 92 Ca 0.02 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2b2g s ILE 92 Cb -0.14 -0.86 0.05 0.00 0.01 0.00 0.00 42.46 41.52 2b2g s ILE 92 CO 0.02 0.33 1.22 -2.65 0.00 0.00 0.00 174.94 173.86 2b2g n PRO 93 N 4.98 0.51 0.00 2.79 -0.02 -1.26 -1.74 135.00 140.27 2b2g n PRO 93 Ca -0.11 0.24 0.10 0.00 -2.02 0.00 0.00 63.50 61.71 2b2g n PRO 93 Cb 0.50 -2.46 0.53 0.00 -0.02 0.00 0.00 33.50 32.05 2b2g n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2b2g n ILE 94 N -2.79 0.25 0.95 4.25 -5.35 0.11 -2.37 119.36 114.40 2b2g n ILE 94 Ca 0.14 0.06 0.12 0.00 -0.27 0.00 0.00 62.75 62.81 2b2g n ILE 94 Cb 0.50 -0.75 0.31 0.00 -1.74 0.00 0.00 39.64 37.96 2b2g n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2b2g n PHE 95 N -1.17 0.07 -2.02 4.28 3.72 -1.26 -4.87 117.46 116.21 2b2g n PHE 95 Ca 0.11 0.02 -0.42 0.00 -0.05 0.00 0.00 57.45 57.12 2b2g n PHE 95 Cb 0.12 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.28 2b2g n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b2g s ALA 96 N -3.02 3.68 0.71 4.37 0.00 -1.00 -5.01 121.76 121.49 2b2g s ALA 96 Ca 0.11 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.25 2b2g s ALA 96 Cb 0.17 -3.62 0.10 0.00 0.00 0.00 0.00 23.12 19.78 2b2g s ALA 96 CO 0.67 -0.84 0.98 0.95 0.00 0.00 0.00 175.76 177.52 2b2g s THR 97 N 1.69 2.26 0.52 0.00 -4.23 -1.26 -4.88 115.64 109.73 2b2g s THR 97 Ca 0.69 -0.50 0.16 0.00 -1.18 0.00 0.00 61.69 60.87 2b2g s THR 97 Cb -0.39 -2.76 0.27 0.00 1.34 0.00 0.00 72.50 70.95 2b2g s THR 97 CO 0.31 0.00 2.14 0.78 -0.54 0.00 0.00 174.62 177.31 2b2g h ASN 98 N -0.52 0.00 -0.23 3.99 4.21 -1.99 -1.67 115.58 119.36 2b2g h ASN 98 Ca -0.40 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.03 2b2g h ASN 98 Cb 1.28 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.47 2b2g h ASN 98 CO 0.46 0.02 -0.19 0.28 -1.29 0.00 0.00 177.43 176.71 2b2g h SER 99 N 0.00 0.55 -0.97 5.81 0.02 -1.99 -1.66 113.55 115.30 2b2g h SER 99 Ca -0.00 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.52 2b2g h SER 99 Cb 0.03 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 2b2g h SER 99 CO 0.00 0.90 0.64 0.44 -1.14 0.00 0.00 176.83 177.67 2b2g h ASP 100 N 0.22 1.08 -0.39 3.07 3.32 -1.70 -2.09 116.42 119.93 2b2g h ASP 100 Ca 0.04 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 2b2g h ASP 100 Cb 0.72 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2b2g h ASP 100 CO 0.05 0.76 -0.22 0.00 -1.72 0.00 0.00 179.24 178.11 2b2g h GLU 102 N 0.77 0.96 -0.19 0.00 5.08 -0.78 -0.86 114.58 119.56 2b2g h GLU 102 Ca 0.10 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2b2g h GLU 102 Cb 0.76 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2b2g h GLU 102 CO 0.06 0.70 0.05 1.25 -1.00 0.00 0.00 179.01 180.07 2b2g h LEU 103 N 0.97 0.29 -0.87 1.33 5.85 -1.08 -1.06 115.31 120.74 2b2g h LEU 103 Ca 0.25 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2b2g h LEU 103 Cb 0.01 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 2b2g h LEU 103 CO -0.04 0.45 0.53 0.40 -0.34 0.00 0.00 178.44 179.43 2b2g h ILE 104 N 0.12 0.99 -0.41 4.05 2.04 -0.74 -0.08 117.51 123.47 2b2g h ILE 104 Ca 0.06 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2b2g h ILE 104 Cb 0.27 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2b2g h ILE 104 CO 0.00 0.17 0.09 0.58 0.00 0.00 0.00 178.15 178.99 2b2g h VAL 105 N 0.93 1.24 -0.47 1.67 2.07 -0.87 -2.04 116.25 118.78 2b2g h VAL 105 Ca 0.40 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2b2g h VAL 105 Cb 0.26 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2b2g h VAL 105 CO -0.21 0.29 0.31 0.11 0.02 0.00 0.00 177.57 178.09 2b2g h LYS 106 N 0.53 0.60 -0.60 1.57 1.57 -0.17 -0.46 116.57 119.61 2b2g h LYS 106 Ca 0.13 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2b2g h LYS 106 Cb 0.34 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2b2g h LYS 106 CO 0.00 0.39 0.09 0.00 -0.57 0.00 0.00 179.45 179.37 2b2g h ALA 107 N 1.71 0.80 -0.51 3.86 0.00 -0.57 0.33 119.26 124.89 2b2g h ALA 107 Ca 0.17 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2b2g h ALA 107 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2b2g h ALA 107 CO -0.04 0.57 -0.12 0.52 0.00 0.00 0.00 179.25 180.18 2b2g h MET 108 N 0.91 0.96 -0.37 0.00 2.86 -0.56 -0.95 114.93 117.78 2b2g h MET 108 Ca 0.18 -0.35 -0.16 0.00 -2.06 0.00 0.00 59.70 57.31 2b2g h MET 108 Cb 0.44 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2b2g h MET 108 CO 0.01 1.02 -0.38 1.96 1.06 0.00 0.00 176.91 180.59 2b2g h GLN 109 N 0.86 0.90 -0.55 1.72 4.20 -0.92 -3.06 115.11 118.26 2b2g h GLN 109 Ca 0.13 -0.47 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 2b2g h GLN 109 Cb 0.67 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 2b2g h GLN 109 CO 0.05 1.12 0.12 0.78 -0.67 0.00 0.00 178.83 180.23 2b2g h GLY 110 N 0.82 0.95 0.16 3.46 0.00 -0.79 -1.34 103.07 106.34 2b2g h GLY 110 Ca 0.06 -0.60 0.17 0.00 0.00 0.00 0.00 47.33 46.96 2b2g h GLY 110 CO 0.09 0.56 0.51 -2.00 0.00 0.00 0.00 176.54 175.70 2b2g h LEU 111 N 0.78 0.64 -2.42 3.11 5.85 -1.08 -1.98 115.31 120.20 2b2g h LEU 111 Ca 0.17 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2b2g h LEU 111 Cb 0.35 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2b2g h LEU 111 CO 0.00 0.24 0.00 0.18 -0.34 0.00 0.00 178.44 178.52 2b2g n LEU 112 N -4.83 3.60 -4.75 2.25 4.77 -1.05 -4.21 117.00 112.78 2b2g n LEU 112 Ca 0.20 -1.60 -0.40 0.00 -0.03 0.00 0.00 56.01 54.18 2b2g n LEU 112 Cb 0.50 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2b2g n LEU 112 CO 0.21 0.80 1.02 1.17 -1.33 0.00 0.00 177.39 179.26 2b2g n LYS 113 N 1.55 2.13 -1.65 3.23 4.81 -0.53 -4.77 118.16 122.94 2b2g n LYS 113 Ca 0.21 0.76 -0.46 0.00 -0.87 0.00 0.00 58.31 57.94 2b2g n LYS 113 Cb 0.62 -2.58 -0.04 0.00 0.02 0.00 0.00 35.03 33.06 2b2g n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2b2g n ASP 114 N -0.19 2.47 0.00 3.14 9.92 -1.26 -2.14 116.55 128.50 2b2g n ASP 114 Ca 0.06 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 2b2g n ASP 114 Cb 0.41 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 2b2g n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2b2g n GLY 115 N 2.47 3.26 3.81 0.44 0.00 -1.26 -5.05 105.19 108.86 2b2g n GLY 115 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2b2g n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b2g s ASN 116 N -0.53 5.43 0.10 1.61 0.01 -0.91 -4.85 114.94 115.79 2b2g s ASN 116 Ca 0.00 1.69 -0.22 0.00 -0.71 0.00 0.00 52.86 53.62 2b2g s ASN 116 Cb 0.00 -2.51 -0.06 0.00 0.41 0.00 0.00 41.25 39.09 2b2g s ASN 116 CO 0.00 -1.41 1.37 -0.65 -1.51 0.00 0.00 177.10 174.90 2b2g h PRO 117 N -0.43 -0.13 0.49 -0.60 0.11 -1.89 -2.25 132.00 127.31 2b2g h PRO 117 Ca -0.45 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2b2g h PRO 117 Cb 1.21 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2b2g h PRO 117 CO 0.57 -0.09 -0.25 0.82 -0.21 0.00 0.00 178.00 178.83 2b2g h ILE 118 N -0.13 0.48 -0.87 4.15 2.04 -1.94 -0.46 117.51 120.77 2b2g h ILE 118 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2b2g h ILE 118 Cb 0.34 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2b2g h ILE 118 CO -0.53 0.00 0.50 1.55 0.00 0.00 0.00 178.15 179.67 2b2g h PRO 119 N -0.69 1.19 0.00 2.37 0.13 -1.72 -1.90 132.00 131.38 2b2g h PRO 119 Ca -0.06 -0.12 -0.07 0.00 -0.87 0.00 0.00 66.00 64.88 2b2g h PRO 119 Cb 0.54 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 2b2g h PRO 119 CO 0.09 0.85 -0.32 0.66 -0.23 0.00 0.00 178.00 179.06 2b2g h SER 120 N 1.21 0.00 -0.09 1.44 4.64 -1.30 -1.46 113.55 117.98 2b2g h SER 120 Ca 0.31 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.56 2b2g h SER 120 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2b2g h SER 120 CO -0.05 0.32 -0.21 0.00 -0.87 0.00 0.00 176.83 176.02 2b2g h ALA 121 N 1.68 0.15 -0.12 5.18 0.00 -0.44 -3.16 119.26 122.55 2b2g h ALA 121 Ca -0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2b2g h ALA 121 Cb 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2b2g h ALA 121 CO 0.04 0.11 0.04 0.82 0.00 0.00 0.00 179.25 180.26 2b2g h ILE 122 N -0.16 0.98 0.00 0.00 2.04 -1.22 -0.55 117.51 118.60 2b2g h ILE 122 Ca -0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2b2g h ILE 122 Cb 0.82 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2b2g h ILE 122 CO 0.05 0.02 0.06 0.00 0.00 0.00 0.00 178.15 178.27 2b2g h ALA 123 N 1.07 1.04 -0.06 1.87 0.00 -1.32 -2.34 119.26 119.52 2b2g h ALA 123 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2b2g h ALA 123 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2b2g h ALA 123 CO -0.05 -0.04 -0.39 0.00 0.00 0.00 0.00 179.25 178.78 2b2g n ALA 124 N -1.76 3.65 -2.47 0.00 0.00 -0.87 -4.95 120.51 114.12 2b2g n ALA 124 Ca -0.01 -3.22 -0.10 0.00 0.00 0.00 0.00 53.44 50.10 2b2g n ALA 124 Cb 0.09 -0.42 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 2b2g n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2b2g n ASN 125 N -1.14 -3.38 -4.75 0.00 3.02 -0.88 -4.91 115.26 103.22 2b2g n ASN 125 Ca 0.21 0.24 -0.29 0.00 -0.03 0.00 0.00 54.58 54.71 2b2g n ASN 125 Cb 0.74 -2.90 -0.07 0.00 -0.61 0.00 0.00 39.78 36.94 2b2g n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2b2g s SER 126 N -2.04 4.24 0.00 6.41 0.01 -0.27 -5.04 113.70 117.01 2b2g s SER 126 Ca 0.01 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.89 2b2g s SER 126 Cb -0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2b2g s SER 126 CO 0.01 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2b2g n GLY 127 N -1.28 5.71 3.87 3.44 0.00 -1.26 -4.21 105.19 111.46 2b2g n GLY 127 Ca -0.09 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 2b2g n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b2g s ILE 128 N 1.66 5.19 0.00 -0.61 -1.09 -1.26 -4.83 121.20 120.25 2b2g s ILE 128 Ca 0.00 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 2b2g s ILE 128 Cb 0.00 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2b2g s ILE 128 CO 0.00 0.36 0.00 0.00 -1.23 0.00 0.00 174.94 174.07