#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2g n SER 2 N 0.00 0.00 0.00 0.00 2.88 -1.26 -5.05 113.62 110.20 2b2g n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2b2g n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2b2g n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2b2g n ASN 3 N 0.00 0.75 -3.92 -3.46 0.23 -1.26 -4.83 115.26 102.78 2b2g n ASN 3 Ca 0.00 -0.89 -0.42 0.00 -0.53 0.00 0.00 54.58 52.74 2b2g n ASN 3 Cb 0.00 0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 2b2g n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2b2g n PHE 4 N -0.21 3.62 -4.59 -2.53 -0.00 -1.26 -4.87 117.46 107.62 2b2g n PHE 4 Ca 0.00 -2.93 -0.27 0.00 -0.00 0.00 0.00 57.45 54.25 2b2g n PHE 4 Cb 0.01 -2.40 -0.10 0.00 -0.00 0.00 0.00 39.48 36.98 2b2g n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2b2g s THR 5 N 2.56 1.67 0.60 -2.13 -4.23 -1.26 -4.85 115.64 108.00 2b2g s THR 5 Ca 0.46 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 2b2g s THR 5 Cb 0.11 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 2b2g s THR 5 CO -0.04 0.00 0.96 0.00 -0.54 0.00 0.00 174.62 175.00 2b2g s GLN 6 N -3.77 3.28 0.10 3.99 -2.07 -1.26 -4.57 119.66 115.36 2b2g s GLN 6 Ca 0.32 0.40 -0.22 0.00 -1.82 0.00 0.00 55.36 54.04 2b2g s GLN 6 Cb 0.09 -2.18 0.06 0.00 -1.09 0.00 0.00 33.01 29.89 2b2g s GLN 6 CO 0.16 -0.62 0.54 -0.59 -1.32 0.00 0.00 175.29 173.46 2b2g s PHE 7 N -3.08 -0.44 -0.39 9.60 -0.71 -0.63 -5.01 117.98 117.32 2b2g s PHE 7 Ca 0.54 0.34 -0.26 0.00 -1.04 0.00 0.00 56.93 56.51 2b2g s PHE 7 Cb -0.11 0.41 0.02 0.00 -1.21 0.00 0.00 43.02 42.13 2b2g s PHE 7 CO 0.50 -0.73 0.94 0.54 -1.34 0.00 0.00 175.22 175.13 2b2g s VAL 8 N -3.13 4.54 -0.06 -2.49 0.11 -1.26 -1.34 120.40 116.77 2b2g s VAL 8 Ca -0.02 1.14 -0.25 0.00 -2.93 0.00 0.00 61.98 59.93 2b2g s VAL 8 Cb -0.00 -4.37 -0.24 0.00 -1.53 0.00 0.00 36.38 30.24 2b2g s VAL 8 CO -0.07 -0.61 1.00 0.25 -3.33 0.00 0.00 175.10 172.34 2b2g h LEU 9 N 10.22 0.20 -8.06 2.54 5.85 -1.25 -3.43 115.31 121.38 2b2g h LEU 9 Ca -0.23 -0.80 -0.67 0.00 0.84 0.00 0.00 57.88 57.02 2b2g h LEU 9 Cb 1.08 -0.06 -0.33 0.00 0.37 0.00 0.00 40.66 41.71 2b2g h LEU 9 CO 1.00 0.97 -0.76 -0.69 -0.34 0.00 0.00 178.44 178.63 2b2g s VAL 10 N -3.04 2.70 -0.40 1.05 1.01 -0.58 -5.00 120.40 116.14 2b2g s VAL 10 Ca -0.16 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 60.43 2b2g s VAL 10 Cb 0.00 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2b2g s VAL 10 CO 0.74 0.12 0.47 -0.62 0.00 0.00 0.00 175.10 175.80 2b2g s ASP 11 N 1.26 6.23 -0.45 3.32 2.15 -1.26 -1.00 116.67 126.92 2b2g s ASP 11 Ca -0.02 -0.43 0.04 0.00 0.43 0.00 0.00 52.55 52.56 2b2g s ASP 11 Cb -0.18 -2.24 0.44 0.00 -0.30 0.00 0.00 42.92 40.65 2b2g s ASP 11 CO -0.05 -0.55 1.47 0.59 -0.17 0.00 0.00 175.17 176.46 2b2g n ASN 12 N 5.69 5.85 -3.35 -0.34 3.02 -1.26 -4.94 115.26 119.92 2b2g n ASN 12 Ca -0.06 -3.76 -0.18 0.00 -0.03 0.00 0.00 54.58 50.54 2b2g n ASN 12 Cb 0.48 -0.58 0.07 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.73 -1.03 4.60 7.41 0.00 -1.26 -3.17 105.19 111.01 2b2g n GLY 13 Ca 0.49 0.51 0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 -1.31 1.03 3.20 -0.02 0.00 -1.26 -4.88 105.19 101.95 2b2g n GLY 14 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2b2g n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b2g s THR 15 N -0.06 3.43 0.00 2.61 -4.23 -1.19 -4.40 115.64 111.80 2b2g s THR 15 Ca 0.00 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 2b2g s THR 15 Cb 0.00 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.76 2b2g s THR 15 CO 0.00 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 2b2g n GLY 16 N 4.70 0.92 3.73 3.99 0.00 -1.26 -4.76 105.19 112.51 2b2g n GLY 16 Ca -0.10 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2b2g n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b2g s ASP 17 N -2.08 6.71 -0.51 1.61 1.11 -1.26 -4.67 116.67 117.56 2b2g s ASP 17 Ca 0.00 2.55 -0.20 0.00 0.18 0.00 0.00 52.55 55.08 2b2g s ASP 17 Cb 0.00 -2.61 0.06 0.00 1.07 0.00 0.00 42.92 41.44 2b2g s ASP 17 CO 0.00 -0.70 0.67 -0.69 1.18 0.00 0.00 175.17 175.63 2b2g s VAL 18 N 0.51 4.81 -0.11 -1.27 1.01 -0.17 -4.98 120.40 120.20 2b2g s VAL 18 Ca 0.63 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 2b2g s VAL 18 Cb -0.40 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 2b2g s VAL 18 CO 0.37 -0.85 0.01 0.28 0.00 0.00 0.00 175.10 174.91 2b2g s THR 19 N 2.79 4.39 0.04 3.92 -1.32 -1.26 -0.69 115.64 123.51 2b2g s THR 19 Ca 0.17 -0.20 0.08 0.00 -1.21 0.00 0.00 61.69 60.52 2b2g s THR 19 Cb -0.18 -2.88 -0.03 0.00 -1.51 0.00 0.00 72.50 67.89 2b2g s THR 19 CO 0.13 0.57 -0.20 0.54 -2.21 0.00 0.00 174.62 173.44 2b2g s VAL 20 N -0.50 2.64 0.15 5.08 0.11 -0.45 -4.17 120.40 123.26 2b2g s VAL 20 Ca 0.09 -1.24 0.05 0.00 -2.93 0.00 0.00 61.98 57.95 2b2g s VAL 20 Cb -0.12 -2.10 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 2b2g s VAL 20 CO 0.02 0.34 -0.12 0.00 -3.33 0.00 0.00 175.10 172.01 2b2g s ALA 21 N -0.90 1.54 0.39 1.54 0.00 -0.86 -1.60 121.76 121.87 2b2g s ALA 21 Ca 0.14 -1.47 -0.25 0.00 0.00 0.00 0.00 51.96 50.38 2b2g s ALA 21 Cb -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 23.12 22.90 2b2g s ALA 21 CO 0.05 -0.03 0.97 -2.30 0.00 0.00 0.00 175.76 174.44 2b2g n PRO 22 N -0.07 1.28 0.00 0.00 -0.02 -1.26 -1.44 135.00 133.48 2b2g n PRO 22 Ca -0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2b2g n PRO 22 Cb 0.60 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.73 0.00 -3.59 2.55 3.41 0.26 -4.76 113.62 112.22 2b2g n SER 23 Ca 0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 2b2g n SER 23 Cb 0.38 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.00 -0.31 -0.00 4.04 3.84 -1.19 -4.98 114.94 116.34 2b2g s ASN 24 Ca 0.00 0.34 0.00 0.00 0.21 0.00 0.00 52.86 53.41 2b2g s ASN 24 Cb 0.00 0.26 0.00 0.00 -0.55 0.00 0.00 41.25 40.96 2b2g s ASN 24 CO 0.00 -0.28 0.65 0.33 -2.79 0.00 0.00 177.10 175.01 2b2g n PHE 25 N 0.72 0.00 -1.74 0.43 -0.00 -1.26 -0.34 117.46 115.28 2b2g n PHE 25 Ca -0.08 -0.01 -0.42 0.00 -0.00 0.00 0.00 57.45 56.94 2b2g n PHE 25 Cb 0.58 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.48 40.03 2b2g n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2b2g n ALA 26 N -0.01 2.40 -2.12 3.13 0.00 -1.26 -2.53 120.51 120.11 2b2g n ALA 26 Ca 0.00 0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 2b2g n ALA 26 Cb 0.56 -2.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 2b2g n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2b2g n ASN 27 N 1.97 -4.73 -0.99 0.00 3.02 -1.26 -2.94 115.26 110.33 2b2g n ASN 27 Ca 0.08 0.07 -0.12 0.00 -0.03 0.00 0.00 54.58 54.57 2b2g n ASN 27 Cb 0.36 -3.81 -0.05 0.00 -0.61 0.00 0.00 39.78 35.68 2b2g n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b2g n GLY 28 N -1.02 1.20 3.08 7.41 0.00 -1.05 -4.98 105.19 109.82 2b2g n GLY 28 Ca -0.18 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.48 2.62 0.16 1.61 1.01 -1.15 -4.63 120.40 117.54 2b2g s VAL 29 Ca 0.00 -1.99 -0.30 0.00 0.00 0.00 0.00 61.98 59.69 2b2g s VAL 29 Cb 0.00 -2.76 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 2b2g s VAL 29 CO 0.00 -0.44 1.31 0.00 0.00 0.00 0.00 175.10 175.97 2b2g s ALA 30 N 1.05 3.52 0.03 5.51 0.00 -0.33 -4.04 121.76 127.50 2b2g s ALA 30 Ca 0.04 1.06 0.06 0.00 0.00 0.00 0.00 51.96 53.12 2b2g s ALA 30 Cb -0.20 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 2b2g s ALA 30 CO -0.05 -0.53 -0.18 -2.00 0.00 0.00 0.00 175.76 173.00 2b2g s GLU 31 N 0.37 1.20 -0.02 0.00 2.12 0.54 -1.00 118.70 121.92 2b2g s GLU 31 Ca 0.59 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2b2g s GLU 31 Cb -0.35 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 32.78 2b2g s GLU 31 CO 0.35 0.32 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.71 2b2g s TRP 32 N -0.76 0.93 0.07 5.30 0.51 0.39 -0.57 118.94 124.80 2b2g s TRP 32 Ca 0.05 -0.22 0.03 0.00 -2.12 0.00 0.00 56.10 53.84 2b2g s TRP 32 Cb -0.08 -0.65 -0.03 0.00 -0.81 0.00 0.00 33.47 31.90 2b2g s TRP 32 CO 0.01 -0.08 -0.09 0.96 -0.51 0.00 0.00 176.95 177.25 2b2g s ILE 33 N 0.07 0.71 0.85 2.03 -0.00 -0.52 -1.10 121.20 123.24 2b2g s ILE 33 Ca -0.01 -1.36 -0.12 0.00 -0.00 0.00 0.00 60.65 59.16 2b2g s ILE 33 Cb -0.07 -0.99 0.10 0.00 -0.00 0.00 0.00 42.46 41.50 2b2g s ILE 33 CO 0.00 -0.48 1.10 -0.94 -0.00 0.00 0.00 174.94 174.62 2b2g s SER 34 N -2.01 4.01 -1.27 4.36 1.04 -0.52 -2.03 113.70 117.27 2b2g s SER 34 Ca -0.02 1.28 -0.10 0.00 0.48 0.00 0.00 55.95 57.59 2b2g s SER 34 Cb -0.06 -1.97 -0.07 0.00 0.10 0.00 0.00 66.02 64.02 2b2g s SER 34 CO -0.00 -2.27 2.49 -0.24 0.98 0.00 0.00 173.24 174.19 2b2g n SER 35 N -3.62 6.34 -2.44 7.02 2.88 -1.26 -4.68 113.62 117.86 2b2g n SER 35 Ca 0.07 -2.51 -0.11 0.00 -1.33 0.00 0.00 58.87 54.99 2b2g n SER 35 Cb 0.57 -1.36 -0.03 0.00 -0.75 0.00 0.00 64.21 62.64 2b2g n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2b2g n ASN 36 N 4.37 0.93 -4.78 -3.46 4.13 -1.26 -5.08 115.26 110.11 2b2g n ASN 36 Ca 0.61 -1.92 -0.37 0.00 1.68 0.00 0.00 54.58 54.58 2b2g n ASN 36 Cb 0.22 0.47 -0.02 0.00 -1.54 0.00 0.00 39.78 38.90 2b2g n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2b2g s SER 37 N -2.06 6.42 0.57 6.41 1.04 -1.26 -4.76 113.70 120.06 2b2g s SER 37 Ca 0.10 2.18 0.30 0.00 0.48 0.00 0.00 55.95 59.01 2b2g s SER 37 Cb 0.00 -2.59 1.44 0.00 0.10 0.00 0.00 66.02 64.97 2b2g s SER 37 CO 0.07 -0.74 1.83 -0.09 0.98 0.00 0.00 173.24 175.29 2b2g h ARG 38 N 2.21 0.00 0.00 4.02 9.65 -1.97 0.12 114.38 128.42 2b2g h ARG 38 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2b2g h ARG 38 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2b2g h ARG 38 CO 0.61 0.00 0.00 0.66 2.80 0.00 0.00 179.97 184.04 2b2g h SER 39 N 0.00 0.00 -0.01 -3.80 4.64 -1.89 -3.30 113.55 109.19 2b2g h SER 39 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2b2g h SER 39 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2b2g h SER 39 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2b2g n GLN 40 N -2.82 0.95 -2.22 4.77 6.02 0.32 -3.97 117.38 120.43 2b2g n GLN 40 Ca 0.04 -1.02 -0.33 0.00 -0.01 0.00 0.00 57.00 55.69 2b2g n GLN 40 Cb 0.48 -1.02 -0.01 0.00 1.02 0.00 0.00 30.24 30.71 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 -0.51 2.85 0.27 -1.58 0.00 -0.55 -4.83 121.76 117.40 2b2g s ALA 41 Ca 0.01 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 2b2g s ALA 41 Cb 0.01 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 2b2g s ALA 41 CO 0.01 -0.58 0.78 0.71 0.00 0.00 0.00 175.76 176.69 2b2g s TYR 42 N -2.42 3.61 -0.00 0.00 1.51 -1.26 -4.67 117.35 114.11 2b2g s TYR 42 Ca 0.63 1.47 0.03 0.00 -1.01 0.00 0.00 57.07 58.19 2b2g s TYR 42 Cb -0.14 -2.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.01 2b2g s TYR 42 CO 0.32 0.26 -0.10 0.21 -1.11 0.00 0.00 175.55 175.13 2b2g s LYS 43 N -2.16 0.81 -0.04 -0.62 2.20 -1.03 -1.44 119.74 117.46 2b2g s LYS 43 Ca 0.47 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 2b2g s LYS 43 Cb -0.16 -0.78 0.03 0.00 -1.51 0.00 0.00 37.83 35.41 2b2g s LYS 43 CO 0.21 0.21 -0.01 0.08 -0.36 0.00 0.00 175.35 175.48 2b2g s VAL 44 N -0.30 0.26 0.06 4.02 1.01 -0.26 -0.28 120.40 124.91 2b2g s VAL 44 Ca 0.03 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.13 2b2g s VAL 44 Cb -0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2b2g s VAL 44 CO -0.00 0.17 -0.14 0.42 0.00 0.00 0.00 175.10 175.55 2b2g s THR 45 N 1.16 1.08 -0.02 3.92 -4.23 0.32 -0.46 115.64 117.40 2b2g s THR 45 Ca -0.08 -1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 59.13 2b2g s THR 45 Cb -0.13 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.69 2b2g s THR 45 CO -0.02 -0.16 0.23 0.00 -0.54 0.00 0.00 174.62 174.14 2b2g s SER 47 N -1.08 -0.63 -0.03 0.00 1.04 -0.78 -1.19 113.70 111.03 2b2g s SER 47 Ca -0.12 0.76 0.04 0.00 0.48 0.00 0.00 55.95 57.12 2b2g s SER 47 Cb -0.06 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 2b2g s SER 47 CO 0.02 -0.53 -0.15 -0.69 0.98 0.00 0.00 173.24 172.87 2b2g s VAL 48 N -0.99 1.26 0.02 5.02 1.01 -1.26 -0.81 120.40 124.66 2b2g s VAL 48 Ca -0.09 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2b2g s VAL 48 Cb -0.01 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2b2g s VAL 48 CO 0.08 0.37 -0.02 0.00 0.00 0.00 0.00 175.10 175.52 2b2g s ARG 49 N -0.07 0.36 -1.22 2.72 1.70 -1.00 -4.97 118.95 116.47 2b2g s ARG 49 Ca -0.00 -0.70 -0.13 0.00 -0.47 0.00 0.00 55.73 54.42 2b2g s ARG 49 Cb -0.09 0.13 0.17 0.00 -0.57 0.00 0.00 34.95 34.58 2b2g s ARG 49 CO 0.01 -0.06 1.50 0.94 -1.08 0.00 0.00 175.30 176.61 2b2g n GLN 50 N 1.36 3.39 0.00 3.89 7.27 -1.26 -0.54 117.38 131.48 2b2g n GLN 50 Ca -0.22 -3.79 0.00 0.00 0.07 0.00 0.00 57.00 53.05 2b2g n GLN 50 Cb 0.56 -3.04 0.00 0.00 2.41 0.00 0.00 30.24 30.17 2b2g n GLN 50 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2b2g n SER 51 N 5.54 0.00 -2.60 1.69 3.41 -1.12 -4.73 113.62 115.80 2b2g n SER 51 Ca 0.38 0.58 -0.09 0.00 -0.26 0.00 0.00 58.87 59.47 2b2g n SER 51 Cb 0.42 -0.08 0.06 0.00 -0.26 0.00 0.00 64.21 64.35 2b2g n SER 51 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2b2g n SER 52 N -1.13 0.06 0.20 4.04 2.88 -1.24 -4.94 113.62 113.48 2b2g n SER 52 Ca 0.00 -1.16 0.09 0.00 -1.33 0.00 0.00 58.87 56.46 2b2g n SER 52 Cb 0.00 -0.31 0.22 0.00 -0.75 0.00 0.00 64.21 63.37 2b2g n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b2g h ALA 53 N -1.85 0.89 0.00 -1.46 0.00 -2.04 -3.32 119.26 111.48 2b2g h ALA 53 Ca -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2b2g h ALA 53 Cb 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2b2g h ALA 53 CO 0.10 0.28 -0.22 1.04 0.00 0.00 0.00 179.25 180.45 2b2g n GLN 54 N -3.20 0.97 -4.09 0.00 6.02 -1.26 -5.01 117.38 110.80 2b2g n GLN 54 Ca 0.02 -2.28 -0.13 0.00 -0.01 0.00 0.00 57.00 54.60 2b2g n GLN 54 Cb 0.56 -1.22 -0.11 0.00 1.02 0.00 0.00 30.24 30.49 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 -2.45 1.02 -0.03 1.08 0.02 -1.25 -1.89 114.94 111.44 2b2g s ASN 55 Ca 0.25 -0.63 0.06 0.00 -1.02 0.00 0.00 52.86 51.53 2b2g s ASN 55 Cb 0.23 0.03 -0.01 0.00 0.02 0.00 0.00 41.25 41.52 2b2g s ASN 55 CO 0.00 -0.23 -0.22 -0.13 0.02 0.00 0.00 177.10 176.55 2b2g s ARG 56 N -1.95 1.89 -0.16 -0.60 0.52 -0.52 -2.79 118.95 115.34 2b2g s ARG 56 Ca -0.06 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 2b2g s ARG 56 Cb -0.08 -1.76 0.03 0.00 0.52 0.00 0.00 34.95 33.67 2b2g s ARG 56 CO -0.00 0.42 -0.09 0.21 0.02 0.00 0.00 175.30 175.86 2b2g s LYS 57 N -0.38 1.78 0.04 3.54 2.20 0.29 -1.28 119.74 125.93 2b2g s LYS 57 Ca 0.05 -0.55 -0.20 0.00 -0.36 0.00 0.00 55.97 54.91 2b2g s LYS 57 Cb -0.10 -2.05 -0.06 0.00 -1.51 0.00 0.00 37.83 34.12 2b2g s LYS 57 CO 0.00 -0.36 0.57 0.71 -0.36 0.00 0.00 175.35 175.92 2b2g s TYR 58 N 1.56 3.75 -0.20 4.03 1.51 0.17 -2.38 117.35 125.80 2b2g s TYR 58 Ca 0.02 1.23 0.01 0.00 -1.01 0.00 0.00 57.07 57.31 2b2g s TYR 58 Cb -0.14 -2.54 0.04 0.00 -0.11 0.00 0.00 41.96 39.21 2b2g s TYR 58 CO -0.09 0.49 -0.09 0.99 -1.11 0.00 0.00 175.55 175.75 2b2g s THR 59 N -0.72 1.51 0.00 -0.71 2.01 0.01 -1.06 115.64 116.69 2b2g s THR 59 Ca 0.30 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.43 2b2g s THR 59 Cb -0.19 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 2b2g s THR 59 CO 0.18 0.13 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.35 2b2g s ILE 60 N 1.45 2.12 -0.01 1.82 1.01 -0.25 -1.86 121.20 125.48 2b2g s ILE 60 Ca -0.01 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.44 2b2g s ILE 60 Cb -0.16 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2b2g s ILE 60 CO -0.08 0.50 -0.03 -0.75 0.00 0.00 0.00 174.94 174.58 2b2g s LYS 61 N -0.86 0.26 -0.01 2.79 2.20 -0.11 -0.91 119.74 123.11 2b2g s LYS 61 Ca 0.11 -0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 2b2g s LYS 61 Cb -0.10 -0.28 -0.00 0.00 -1.51 0.00 0.00 37.83 35.94 2b2g s LYS 61 CO 0.00 0.03 -0.09 0.08 -0.36 0.00 0.00 175.35 175.02 2b2g s VAL 62 N 0.11 0.73 -0.18 4.02 1.01 -0.40 -0.52 120.40 125.17 2b2g s VAL 62 Ca -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2b2g s VAL 62 Cb -0.03 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.75 2b2g s VAL 62 CO -0.00 0.22 -0.13 -1.61 0.00 0.00 0.00 175.10 173.57 2b2g s GLU 63 N -0.06 2.24 -0.28 2.72 2.02 0.61 -1.17 118.70 124.78 2b2g s GLU 63 Ca 0.01 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.20 2b2g s GLU 63 Cb -0.05 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 2b2g s GLU 63 CO -0.00 -0.33 0.10 0.08 0.02 0.00 0.00 175.26 175.13 2b2g s VAL 64 N 1.42 4.28 0.24 2.63 1.01 -0.39 -2.45 120.40 127.14 2b2g s VAL 64 Ca 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2b2g s VAL 64 Cb -0.14 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2b2g s VAL 64 CO -0.10 0.18 0.46 -2.16 0.00 0.00 0.00 175.10 173.49 2b2g s PRO 65 N 1.58 3.56 -0.65 2.72 0.04 -1.26 -0.54 135.00 140.45 2b2g s PRO 65 Ca 0.05 -0.20 -0.06 0.00 0.04 0.00 0.00 61.00 60.82 2b2g s PRO 65 Cb -0.16 -2.75 0.17 0.00 0.04 0.00 0.00 34.50 31.79 2b2g s PRO 65 CO 0.04 0.31 0.50 0.21 0.04 0.00 0.00 177.00 178.10 2b2g s LYS 66 N -3.47 2.78 0.43 4.56 2.47 -0.25 -4.99 119.74 121.27 2b2g s LYS 66 Ca 0.41 -2.41 -0.26 0.00 -1.56 0.00 0.00 55.97 52.15 2b2g s LYS 66 Cb -0.11 -3.91 -0.09 0.00 -1.46 0.00 0.00 37.83 32.26 2b2g s LYS 66 CO 0.30 -1.20 1.39 0.14 0.16 0.00 0.00 175.35 176.14 2b2g s VAL 67 N 0.18 2.25 0.19 4.02 -7.23 -1.26 0.51 120.40 119.06 2b2g s VAL 67 Ca 0.16 0.23 -0.19 0.00 -1.81 0.00 0.00 61.98 60.37 2b2g s VAL 67 Cb -0.19 -3.14 0.04 0.00 0.56 0.00 0.00 36.38 33.65 2b2g s VAL 67 CO -0.04 0.04 0.55 0.00 -0.31 0.00 0.00 175.10 175.33 2b2g s ALA 68 N -1.21 -1.11 -0.22 1.32 0.00 -0.08 -4.70 121.76 115.76 2b2g s ALA 68 Ca 0.58 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 2b2g s ALA 68 Cb -0.42 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.55 2b2g s ALA 68 CO 0.55 -0.81 -0.07 0.99 0.00 0.00 0.00 175.76 176.41 2b2g s THR 69 N -3.85 3.02 -0.08 0.00 2.01 -1.26 -0.84 115.64 114.65 2b2g s THR 69 Ca 0.07 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.37 2b2g s THR 69 Cb -0.01 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 2b2g s THR 69 CO -0.04 0.38 -0.06 -1.58 -0.69 0.00 0.00 174.62 172.63 2b2g s GLN 70 N 1.41 2.85 -0.59 4.92 0.74 -0.57 -4.90 119.66 123.52 2b2g s GLN 70 Ca 0.04 -0.54 -0.19 0.00 0.05 0.00 0.00 55.36 54.73 2b2g s GLN 70 Cb -0.15 -2.63 0.11 0.00 1.10 0.00 0.00 33.01 31.44 2b2g s GLN 70 CO -0.05 0.63 0.69 0.99 -0.55 0.00 0.00 175.29 176.99 2b2g s THR 71 N -0.71 4.86 -0.30 -0.34 2.01 -1.26 -0.62 115.64 119.27 2b2g s THR 71 Ca 0.11 -1.05 -0.08 0.00 0.31 0.00 0.00 61.69 60.98 2b2g s THR 71 Cb -0.11 -4.48 0.01 0.00 0.01 0.00 0.00 72.50 67.92 2b2g s THR 71 CO 0.02 -1.11 0.10 -0.69 -0.69 0.00 0.00 174.62 172.25 2b2g s VAL 72 N 2.58 4.15 -1.23 3.82 1.01 0.47 -4.49 120.40 126.70 2b2g s VAL 72 Ca 0.11 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2b2g s VAL 72 Cb -0.25 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2b2g s VAL 72 CO 0.06 0.06 0.31 0.61 0.00 0.00 0.00 175.10 176.14 2b2g n GLY 73 N 4.90 -0.24 2.55 4.51 0.00 -1.26 -2.29 105.19 113.37 2b2g n GLY 73 Ca -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.23 0.79 3.31 -0.02 0.00 -1.26 -5.02 105.19 101.76 2b2g n GLY 74 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.16 2.08 -0.07 1.61 1.01 -0.97 -5.08 120.40 115.82 2b2g s VAL 75 Ca 0.00 -1.10 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 2b2g s VAL 75 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2b2g s VAL 75 CO 0.00 0.58 0.65 -1.61 0.00 0.00 0.00 175.10 174.72 2b2g s GLU 76 N -0.59 4.41 -0.01 2.72 2.02 -1.26 -0.40 118.70 125.59 2b2g s GLU 76 Ca 0.09 0.78 0.04 0.00 0.02 0.00 0.00 54.97 55.91 2b2g s GLU 76 Cb -0.10 -3.44 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 2b2g s GLU 76 CO -0.01 0.11 -0.13 -0.51 0.02 0.00 0.00 175.26 174.74 2b2g s LEU 77 N 0.67 2.03 -0.07 1.80 1.43 0.20 -4.96 118.68 119.78 2b2g s LEU 77 Ca 0.35 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 2b2g s LEU 77 Cb -0.17 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 2b2g s LEU 77 CO 0.16 0.16 1.28 -2.16 0.23 0.00 0.00 176.35 176.03 2b2g s PRO 78 N -0.34 4.30 0.27 1.29 0.04 -1.26 -1.51 135.00 137.79 2b2g s PRO 78 Ca 0.05 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.89 2b2g s PRO 78 Cb -0.05 -3.63 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 2b2g s PRO 78 CO -0.00 -0.55 0.28 1.55 0.04 0.00 0.00 177.00 178.31 2b2g n VAL 79 N 4.83 0.00 -4.27 -0.36 3.14 -0.02 -4.74 118.33 116.91 2b2g n VAL 79 Ca 0.12 -1.79 -0.33 0.00 -2.96 0.00 0.00 64.34 59.39 2b2g n VAL 79 Cb 0.45 0.95 -0.16 0.00 -1.06 0.00 0.00 33.84 34.02 2b2g n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2b2g s ALA 80 N -2.91 2.32 0.33 1.55 0.00 -1.25 -0.91 121.76 120.88 2b2g s ALA 80 Ca 0.29 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 51.11 2b2g s ALA 80 Cb 0.01 -1.14 0.64 0.00 0.00 0.00 0.00 23.12 22.64 2b2g s ALA 80 CO 0.21 -0.26 1.91 0.00 0.00 0.00 0.00 175.76 177.62 2b2g h ALA 81 N 7.77 1.63 -2.00 0.00 0.00 -0.22 -3.46 119.26 122.97 2b2g h ALA 81 Ca -0.42 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.73 2b2g h ALA 81 Cb 1.15 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2b2g h ALA 81 CO 0.62 0.21 0.69 1.67 0.00 0.00 0.00 179.25 182.44 2b2g s TRP 82 N -5.80 -0.03 0.04 0.00 1.48 -1.25 -5.02 118.94 108.35 2b2g s TRP 82 Ca -0.11 -0.19 0.02 0.00 -1.06 0.00 0.00 56.10 54.77 2b2g s TRP 82 Cb 0.20 0.61 -0.02 0.00 -1.16 0.00 0.00 33.47 33.10 2b2g s TRP 82 CO 0.79 -0.56 -0.08 1.03 -4.06 0.00 0.00 176.95 174.07 2b2g s ARG 83 N -2.56 0.55 -0.13 3.25 0.52 -1.26 -1.09 118.95 118.22 2b2g s ARG 83 Ca 0.17 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 54.66 2b2g s ARG 83 Cb 0.01 -0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.07 2b2g s ARG 83 CO 0.00 0.08 0.03 0.45 0.02 0.00 0.00 175.30 175.88 2b2g s SER 84 N -1.32 5.42 -0.10 0.23 0.15 0.30 -4.95 113.70 113.42 2b2g s SER 84 Ca -0.07 0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.73 2b2g s SER 84 Cb -0.09 -1.74 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 2b2g s SER 84 CO 0.00 0.29 -0.20 -0.31 1.20 0.00 0.00 173.24 174.22 2b2g s TYR 85 N -0.32 2.63 -0.23 3.44 2.02 -1.26 -1.27 117.35 122.37 2b2g s TYR 85 Ca 0.07 -0.80 -0.00 0.00 -0.37 0.00 0.00 57.07 55.97 2b2g s TYR 85 Cb -0.12 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2b2g s TYR 85 CO 0.02 -0.27 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.45 2b2g s LEU 86 N 0.19 2.90 -0.20 -1.29 2.96 -0.32 -5.00 118.68 117.92 2b2g s LEU 86 Ca -0.12 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 52.96 2b2g s LEU 86 Cb -0.16 -1.60 0.03 0.00 0.50 0.00 0.00 46.19 44.96 2b2g s LEU 86 CO 0.06 -0.09 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.40 2b2g s SER 87 N 1.29 3.46 0.02 3.68 0.01 -1.26 -1.28 113.70 119.62 2b2g s SER 87 Ca 0.01 -0.85 0.06 0.00 1.31 0.00 0.00 55.95 56.47 2b2g s SER 87 Cb -0.16 -1.45 -0.02 0.00 0.21 0.00 0.00 66.02 64.60 2b2g s SER 87 CO -0.07 -0.07 -0.18 0.00 0.41 0.00 0.00 173.24 173.34 2b2g s MET 88 N 1.27 1.27 -0.10 12.44 0.23 -0.08 -5.01 119.30 129.31 2b2g s MET 88 Ca 0.01 -0.77 0.02 0.00 -1.03 0.00 0.00 55.69 53.92 2b2g s MET 88 Cb -0.15 -1.30 0.01 0.00 -1.53 0.00 0.00 34.83 31.86 2b2g s MET 88 CO -0.10 0.34 -0.16 -1.21 -2.03 0.00 0.00 175.02 171.85 2b2g s GLU 89 N -0.88 2.27 -0.19 3.16 2.02 -1.26 -1.09 118.70 122.73 2b2g s GLU 89 Ca 0.06 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.47 2b2g s GLU 89 Cb -0.08 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.30 2b2g s GLU 89 CO 0.01 -0.01 -0.18 -1.17 0.02 0.00 0.00 175.26 173.93 2b2g s LEU 90 N 0.83 2.32 -0.29 1.80 2.96 -0.22 -4.98 118.68 121.10 2b2g s LEU 90 Ca -0.10 -0.71 -0.07 0.00 -0.22 0.00 0.00 54.13 53.03 2b2g s LEU 90 Cb -0.16 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.03 2b2g s LEU 90 CO 0.01 -0.02 0.09 -0.89 -1.32 0.00 0.00 176.35 174.22 2b2g s THR 91 N 1.28 4.12 -0.13 3.68 2.01 -1.26 -0.65 115.64 124.69 2b2g s THR 91 Ca 0.04 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.49 2b2g s THR 91 Cb -0.14 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.29 2b2g s THR 91 CO -0.12 0.12 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.13 2b2g s ILE 92 N 1.54 2.48 0.60 1.82 1.01 -0.40 -4.97 121.20 123.27 2b2g s ILE 92 Ca 0.04 -0.85 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 2b2g s ILE 92 Cb -0.17 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2b2g s ILE 92 CO 0.03 0.53 1.21 -2.16 0.00 0.00 0.00 174.94 174.56 2b2g s PRO 93 N 0.62 2.94 0.38 2.79 0.04 -1.26 -1.44 135.00 139.07 2b2g s PRO 93 Ca -0.10 1.85 0.28 0.00 0.04 0.00 0.00 61.00 63.06 2b2g s PRO 93 Cb -0.16 -1.92 1.28 0.00 0.04 0.00 0.00 34.50 33.74 2b2g s PRO 93 CO 0.03 -1.23 1.83 -0.84 0.04 0.00 0.00 177.00 176.83 2b2g h ILE 94 N 0.86 0.00 0.00 0.56 3.07 -1.72 -1.87 117.51 118.41 2b2g h ILE 94 Ca -0.51 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.71 2b2g h ILE 94 Cb 1.30 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 2b2g h ILE 94 CO 0.55 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.14 2b2g n PHE 95 N -2.51 0.00 -2.09 0.16 3.72 -1.26 -4.84 117.46 110.64 2b2g n PHE 95 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2b2g n PHE 95 Cb 0.17 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 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 -2.50 3.63 0.75 4.37 0.00 -0.71 -5.01 121.76 122.29 2b2g s ALA 96 Ca 0.31 1.22 -0.08 0.00 0.00 0.00 0.00 51.96 53.40 2b2g s ALA 96 Cb 0.20 -3.55 0.08 0.00 0.00 0.00 0.00 23.12 19.85 2b2g s ALA 96 CO 0.45 -0.66 1.07 0.99 0.00 0.00 0.00 175.76 177.60 2b2g s THR 97 N 0.77 2.19 0.21 0.00 2.01 -1.26 -4.87 115.64 114.68 2b2g s THR 97 Ca 0.64 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.36 2b2g s THR 97 Cb -0.39 -2.99 0.11 0.00 0.01 0.00 0.00 72.50 69.24 2b2g s THR 97 CO 0.34 0.00 1.72 0.78 -0.69 0.00 0.00 174.62 176.77 2b2g h ASN 98 N -0.77 1.04 -0.59 3.53 4.21 -1.99 -0.25 115.58 120.77 2b2g h ASN 98 Ca -0.45 -0.23 -0.06 0.00 1.21 0.00 0.00 56.30 56.77 2b2g h ASN 98 Cb 1.31 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 38.21 2b2g h ASN 98 CO 0.60 1.02 0.16 0.77 -1.29 0.00 0.00 177.43 178.68 2b2g h SER 99 N 1.03 0.90 -0.49 5.81 4.64 -1.99 0.02 113.55 123.47 2b2g h SER 99 Ca 0.21 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2b2g h SER 99 Cb 0.40 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 2b2g h SER 99 CO 0.01 0.87 0.14 0.44 -0.87 0.00 0.00 176.83 177.42 2b2g h ASP 100 N 0.93 0.76 0.11 4.97 3.32 -1.72 -2.64 116.42 122.14 2b2g h ASP 100 Ca 0.20 -0.13 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 2b2g h ASP 100 Cb 0.32 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2b2g h ASP 100 CO -0.00 0.74 -0.74 0.00 -1.72 0.00 0.00 179.24 177.52 2b2g h GLU 102 N 0.38 0.36 -0.68 0.00 5.08 -0.76 -0.76 114.58 118.18 2b2g h GLU 102 Ca -0.04 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2b2g h GLU 102 Cb 1.33 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2b2g h GLU 102 CO 0.14 0.27 0.21 1.25 -1.00 0.00 0.00 179.01 179.87 2b2g h LEU 103 N 0.37 1.00 -0.46 1.33 5.85 -1.32 -0.77 115.31 121.31 2b2g h LEU 103 Ca 0.10 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2b2g h LEU 103 Cb 0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2b2g h LEU 103 CO -0.02 0.95 0.19 0.40 -0.34 0.00 0.00 178.44 179.62 2b2g h ILE 104 N 1.01 1.20 -0.09 4.05 2.04 -1.07 -1.46 117.51 123.18 2b2g h ILE 104 Ca 0.22 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2b2g h ILE 104 Cb 0.31 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2b2g h ILE 104 CO -0.01 0.23 0.05 0.58 0.00 0.00 0.00 178.15 179.01 2b2g h VAL 105 N 0.60 1.07 -0.79 1.67 2.07 -1.00 -1.96 116.25 117.90 2b2g h VAL 105 Ca 0.15 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2b2g h VAL 105 Cb 0.18 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2b2g h VAL 105 CO -0.01 0.06 0.52 0.11 0.02 0.00 0.00 177.57 178.27 2b2g h LYS 106 N 0.06 0.89 -0.38 1.57 1.57 -1.02 -1.03 116.57 118.22 2b2g h LYS 106 Ca 0.03 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2b2g h LYS 106 Cb 0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2b2g h LYS 106 CO -0.01 0.59 0.12 0.00 -0.57 0.00 0.00 179.45 179.58 2b2g h ALA 107 N 1.56 0.50 -0.29 3.86 0.00 -0.92 -0.43 119.26 123.53 2b2g h ALA 107 Ca 0.33 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2b2g h ALA 107 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2b2g h ALA 107 CO -0.11 0.14 -0.08 0.52 0.00 0.00 0.00 179.25 179.73 2b2g h MET 108 N 0.47 0.47 -0.22 0.00 2.86 -0.60 -0.01 114.93 117.91 2b2g h MET 108 Ca 0.12 -0.12 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 2b2g h MET 108 Cb 0.25 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2b2g h MET 108 CO -0.00 0.56 -0.54 1.96 1.06 0.00 0.00 176.91 179.94 2b2g h GLN 109 N 0.44 0.76 -0.16 1.72 4.20 -0.90 -3.01 115.11 118.17 2b2g h GLN 109 Ca 0.09 -0.52 -0.08 0.00 0.06 0.00 0.00 58.65 58.20 2b2g h GLN 109 Cb 0.41 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2b2g h GLN 109 CO 0.02 1.14 -0.27 0.78 -0.67 0.00 0.00 178.83 179.83 2b2g h GLY 110 N 0.49 0.32 0.75 3.46 0.00 -0.78 -2.10 103.07 105.20 2b2g h GLY 110 Ca -0.01 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.13 2b2g h GLY 110 CO 0.12 0.23 0.57 -2.00 0.00 0.00 0.00 176.54 175.46 2b2g h LEU 111 N 0.26 0.90 -2.32 3.11 5.85 -0.87 -2.91 115.31 119.34 2b2g h LEU 111 Ca 0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2b2g h LEU 111 Cb 0.62 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2b2g h LEU 111 CO 0.05 0.58 0.00 0.18 -0.34 0.00 0.00 178.44 178.91 2b2g n LEU 112 N -4.58 3.42 -4.77 2.25 4.77 -1.08 -4.35 117.00 112.67 2b2g n LEU 112 Ca 0.13 -1.48 -0.40 0.00 -0.03 0.00 0.00 56.01 54.23 2b2g n LEU 112 Cb 0.17 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2b2g n LEU 112 CO 0.32 0.73 1.09 -0.75 -1.33 0.00 0.00 177.39 177.45 2b2g s LYS 113 N -1.49 3.74 0.31 3.23 2.20 -0.81 -4.80 119.74 122.13 2b2g s LYS 113 Ca 0.37 2.47 -0.28 0.00 -0.36 0.00 0.00 55.97 58.17 2b2g s LYS 113 Cb 0.22 -2.71 -0.13 0.00 -1.51 0.00 0.00 37.83 33.70 2b2g s LYS 113 CO 0.31 -0.79 1.15 -0.25 -0.36 0.00 0.00 175.35 175.41 2b2g n ASP 114 N -0.10 1.97 0.00 1.43 8.00 -1.26 -2.08 116.55 124.52 2b2g n ASP 114 Ca 0.04 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.73 2b2g n ASP 114 Cb 0.41 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 2b2g n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b2g n GLY 115 N 1.09 2.84 3.77 0.44 0.00 -1.26 -5.02 105.19 107.04 2b2g n GLY 115 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 0.25 5.83 0.15 1.61 0.01 -0.88 -4.83 114.94 117.07 2b2g s ASN 116 Ca 0.00 2.27 -0.21 0.00 -0.71 0.00 0.00 52.86 54.21 2b2g s ASN 116 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.09 2b2g s ASN 116 CO 0.00 -1.15 1.23 -0.81 -1.51 0.00 0.00 177.10 174.86 2b2g n PRO 117 N -1.00 -0.30 0.42 -0.60 -0.04 -1.26 -2.32 135.00 129.90 2b2g n PRO 117 Ca 0.10 1.21 -0.19 0.00 -0.04 0.00 0.00 63.50 64.59 2b2g n PRO 117 Cb 0.49 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 2b2g n PRO 117 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2b2g h ILE 118 N 0.00 0.24 0.00 0.52 2.04 -1.92 -0.63 117.51 117.76 2b2g h ILE 118 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 2b2g h ILE 118 Cb 0.38 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2b2g h ILE 118 CO -0.76 0.00 -0.01 1.55 0.00 0.00 0.00 178.15 178.93 2b2g h PRO 119 N -1.03 0.00 -0.10 2.37 0.13 -1.74 -1.67 132.00 129.97 2b2g h PRO 119 Ca -0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 2b2g h PRO 119 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 2b2g h PRO 119 CO 0.17 0.01 -0.00 0.77 -0.23 0.00 0.00 178.00 178.72 2b2g h SER 120 N 0.00 0.17 -0.04 1.44 0.02 -1.04 -1.48 113.55 112.63 2b2g h SER 120 Ca -0.00 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2b2g h SER 120 Cb 0.02 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2b2g h SER 120 CO 0.00 0.44 0.02 0.00 -1.14 0.00 0.00 176.83 176.15 2b2g h ALA 121 N 0.73 0.04 -0.22 3.77 0.00 -0.47 -2.62 119.26 120.50 2b2g h ALA 121 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2b2g h ALA 121 Cb 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2b2g h ALA 121 CO 0.01 -0.47 -0.06 0.82 0.00 0.00 0.00 179.25 179.55 2b2g h ILE 122 N 0.04 0.77 0.00 0.00 2.04 -1.29 -1.73 117.51 117.33 2b2g h ILE 122 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2b2g h ILE 122 Cb 0.00 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2b2g h ILE 122 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.14 2b2g n ALA 123 N -2.44 1.34 -0.17 1.87 0.00 -0.56 -2.21 120.51 118.34 2b2g n ALA 123 Ca -0.02 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.52 2b2g n ALA 123 Cb 0.14 -1.24 0.09 0.00 0.00 0.00 0.00 19.45 18.45 2b2g n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b2g n ALA 124 N -1.64 2.14 -3.66 0.00 0.00 -0.71 -4.99 120.51 111.65 2b2g n ALA 124 Ca 0.01 -1.18 -0.22 0.00 0.00 0.00 0.00 53.44 52.05 2b2g n ALA 124 Cb 0.11 -0.27 0.05 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.01 -2.70 -3.41 0.00 3.02 -0.94 -4.99 115.26 106.23 2b2g n ASN 125 Ca 0.07 -0.73 -0.18 0.00 -0.03 0.00 0.00 54.58 53.72 2b2g n ASN 125 Cb 0.38 -4.43 -0.07 0.00 -0.61 0.00 0.00 39.78 35.05 2b2g n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2b2g s SER 126 N -4.05 1.36 0.01 6.41 1.04 -0.86 -5.06 113.70 112.55 2b2g s SER 126 Ca 0.19 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 54.97 2b2g s SER 126 Cb -0.09 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2b2g s SER 126 CO 0.78 -1.10 0.02 0.61 0.98 0.00 0.00 173.24 174.53 2b2g n GLY 127 N -0.58 2.28 3.75 7.32 0.00 -1.26 -4.35 105.19 112.35 2b2g n GLY 127 Ca 0.05 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 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 0.61 5.19 0.00 -0.61 1.09 -1.26 -4.83 121.20 121.39 2b2g s ILE 128 Ca 0.01 0.81 0.00 0.00 -1.10 0.00 0.00 60.65 60.37 2b2g s ILE 128 Cb -0.00 -3.74 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 2b2g s ILE 128 CO 0.01 0.40 0.00 0.00 -0.10 0.00 0.00 174.94 175.24