#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2b s VAL 2 N 0.00 4.88 -0.06 12.58 1.01 -1.26 -0.81 120.40 136.74 1s2b s VAL 2 Ca 0.00 0.56 0.10 0.00 0.00 0.00 0.00 61.98 62.64 1s2b s VAL 2 Cb 0.00 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 1s2b s VAL 2 CO 0.00 -0.34 0.60 -0.62 0.00 0.00 0.00 175.10 174.74 1s2b n GLU 3 N 6.07 0.65 -3.69 2.72 1.02 0.24 -4.86 120.64 122.80 1s2b n GLU 3 Ca -0.01 0.29 -0.18 0.00 -0.02 0.00 0.00 57.16 57.24 1s2b n GLU 3 Cb 0.48 -1.77 -0.16 0.00 -0.02 0.00 0.00 31.44 29.97 1s2b n GLU 3 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1s2b s SER 4 N -6.22 0.74 0.00 1.62 0.15 -0.84 -4.93 113.70 104.21 1s2b s SER 4 Ca -0.08 0.20 0.20 0.00 0.70 0.00 0.00 55.95 56.98 1s2b s SER 4 Cb 0.08 0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1s2b s SER 4 CO 0.82 -0.23 1.04 -0.46 1.20 0.00 0.00 173.24 175.61 1s2b n ASN 5 N 5.08 2.12 -4.54 5.45 6.94 -1.26 -0.54 115.26 128.51 1s2b n ASN 5 Ca -0.09 -1.56 -0.34 0.00 -0.02 0.00 0.00 54.58 52.58 1s2b n ASN 5 Cb 0.50 0.35 -0.12 0.00 -2.36 0.00 0.00 39.78 38.15 1s2b n ASN 5 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1s2b s TRP 6 N -2.12 2.88 -0.03 -2.53 0.52 -1.26 -1.39 118.94 115.01 1s2b s TRP 6 Ca 0.19 -0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.24 1s2b s TRP 6 Cb 0.17 -1.71 0.01 0.00 -1.15 0.00 0.00 33.47 30.78 1s2b s TRP 6 CO 0.44 0.24 -0.07 0.20 0.02 0.00 0.00 176.95 177.78 1s2b s GLY 7 N -0.64 0.45 0.00 0.98 0.00 0.38 -3.03 107.32 105.46 1s2b s GLY 7 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1s2b s GLY 7 CO 0.02 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.76 1s2b n GLY 8 N 3.43 0.68 3.33 0.20 0.00 -0.12 0.06 105.19 112.77 1s2b n GLY 8 Ca -0.19 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 1s2b n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s2b s ALA 9 N -1.00 2.33 -0.12 4.61 0.00 -0.69 -1.17 121.76 125.72 1s2b s ALA 9 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1s2b s ALA 9 Cb 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1s2b s ALA 9 CO 0.00 0.44 -0.11 0.42 0.00 0.00 0.00 175.76 176.51 1s2b s ILE 10 N -0.29 1.25 -0.13 0.00 1.01 -0.05 -1.70 121.20 121.29 1s2b s ILE 10 Ca 0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1s2b s ILE 10 Cb -0.13 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1s2b s ILE 10 CO 0.03 0.40 0.11 -0.76 0.00 0.00 0.00 174.94 174.72 1s2b s LEU 11 N 1.46 4.20 -0.10 2.97 1.43 0.16 -0.59 118.68 128.22 1s2b s LEU 11 Ca 0.02 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1s2b s LEU 11 Cb -0.13 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1s2b s LEU 11 CO -0.07 0.35 -0.19 -0.63 0.23 0.00 0.00 176.35 176.04 1s2b s ILE 12 N -0.69 2.51 0.00 -0.59 1.01 -1.26 -1.08 121.20 121.10 1s2b s ILE 12 Ca 0.13 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1s2b s ILE 12 Cb -0.12 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1s2b s ILE 12 CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1s2b n GLY 13 N 3.31 1.88 3.29 6.18 0.00 0.27 -5.01 105.19 115.11 1s2b n GLY 13 Ca -0.18 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1s2b n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s2b s SER 14 N 2.00 -0.18 -1.50 1.61 1.04 -1.26 -4.29 113.70 111.13 1s2b s SER 14 Ca 0.00 -0.22 -0.13 0.00 0.48 0.00 0.00 55.95 56.09 1s2b s SER 14 Cb 0.00 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.60 1s2b s SER 14 CO 0.00 -0.71 0.94 0.47 0.98 0.00 0.00 173.24 174.92 1s2b n ASP 15 N 0.25 -4.98 -4.74 7.02 8.00 -0.86 -4.61 116.55 116.64 1s2b n ASP 15 Ca -0.17 -0.69 -0.41 0.00 0.71 0.00 0.00 54.79 54.22 1s2b n ASP 15 Cb 0.61 -3.98 -0.02 0.00 -0.02 0.00 0.00 41.12 37.71 1s2b n ASP 15 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1s2b s PHE 16 N -3.26 3.04 -0.02 1.24 2.99 -0.87 -1.60 117.98 119.49 1s2b s PHE 16 Ca 0.62 0.98 -0.03 0.00 0.00 0.00 0.00 56.93 58.50 1s2b s PHE 16 Cb -0.31 -3.82 -0.01 0.00 0.00 0.00 0.00 43.02 38.88 1s2b s PHE 16 CO 0.76 -2.72 -0.07 -0.25 -0.00 0.00 0.00 175.22 172.94 1s2b n ASP 17 N 2.59 0.48 -4.23 1.36 8.00 0.51 -4.63 116.55 120.63 1s2b n ASP 17 Ca 0.08 0.08 -0.29 0.00 0.71 0.00 0.00 54.79 55.37 1s2b n ASP 17 Cb 0.40 -0.41 -0.16 0.00 -0.02 0.00 0.00 41.12 40.93 1s2b n ASP 17 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s2b s THR 18 N -1.46 1.76 -0.11 -3.53 2.01 -1.24 -0.57 115.64 112.50 1s2b s THR 18 Ca -0.06 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 1s2b s THR 18 Cb 0.01 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 71.06 1s2b s THR 18 CO 0.08 0.50 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 1s2b s VAL 19 N -0.35 1.08 0.09 3.82 1.01 -0.62 -1.27 120.40 124.16 1s2b s VAL 19 Ca 0.04 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1s2b s VAL 19 Cb -0.10 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1s2b s VAL 19 CO 0.01 0.37 0.31 -0.94 0.00 0.00 0.00 175.10 174.85 1s2b s SER 20 N 1.55 -0.09 0.03 3.32 1.04 -0.23 -1.53 113.70 117.78 1s2b s SER 20 Ca 0.02 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 55.78 1s2b s SER 20 Cb -0.13 0.40 0.10 0.00 0.10 0.00 0.00 66.02 66.49 1s2b s SER 20 CO -0.07 -0.75 1.08 0.00 0.98 0.00 0.00 173.24 174.48 1s2b s ALA 21 N -3.48 -1.92 -0.13 5.32 0.00 -0.68 0.18 121.76 121.05 1s2b s ALA 21 Ca 0.01 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 52.63 1s2b s ALA 21 Cb 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 1s2b s ALA 21 CO -0.09 -0.92 -0.11 0.99 0.00 0.00 0.00 175.76 175.62 1s2b s THR 22 N -2.88 3.21 0.04 0.00 2.01 -0.37 -0.42 115.64 117.23 1s2b s THR 22 Ca 0.11 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1s2b s THR 22 Cb 0.01 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 1s2b s THR 22 CO -0.03 0.52 -0.19 0.00 -0.69 0.00 0.00 174.62 174.24 1s2b s ALA 23 N 0.26 1.59 0.22 7.40 0.00 0.11 -0.10 121.76 131.24 1s2b s ALA 23 Ca -0.08 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 1s2b s ALA 23 Cb -0.15 -0.29 -0.08 0.00 0.00 0.00 0.00 23.12 22.59 1s2b s ALA 23 CO 0.05 0.34 0.66 0.54 0.00 0.00 0.00 175.76 177.35 1s2b s ASN 24 N -1.18 6.89 -0.25 0.00 2.20 -1.24 0.15 114.94 121.51 1s2b s ASN 24 Ca 0.06 1.24 -0.21 0.00 -0.94 0.00 0.00 52.86 53.01 1s2b s ASN 24 Cb -0.09 -2.35 -0.02 0.00 -2.00 0.00 0.00 41.25 36.79 1s2b s ASN 24 CO 0.02 -0.01 0.64 -0.69 -2.94 0.00 0.00 177.10 174.12 1s2b s VAL 25 N -1.63 4.98 0.75 3.54 1.01 0.24 -4.67 120.40 124.61 1s2b s VAL 25 Ca 0.44 1.17 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 1s2b s VAL 25 Cb -0.14 -3.95 0.10 0.00 0.00 0.00 0.00 36.38 32.39 1s2b s VAL 25 CO 0.20 0.03 1.06 -2.16 0.00 0.00 0.00 175.10 174.22 1s2b s PRO 26 N 2.46 1.78 0.04 2.72 0.04 -1.26 -0.04 135.00 140.73 1s2b s PRO 26 Ca 0.27 -0.53 -0.14 0.00 0.04 0.00 0.00 61.00 60.64 1s2b s PRO 26 Cb -0.16 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 1s2b s PRO 26 CO 0.09 -1.49 0.45 0.45 0.04 0.00 0.00 177.00 176.53 1s2b s SER 27 N -4.64 6.82 0.17 6.66 0.15 0.29 -4.68 113.70 118.47 1s2b s SER 27 Ca 0.64 0.99 0.08 0.00 0.70 0.00 0.00 55.95 58.36 1s2b s SER 27 Cb -0.08 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1s2b s SER 27 CO 0.46 0.26 -0.17 0.00 1.20 0.00 0.00 173.24 174.99 1s2b s ALA 28 N -1.19 1.97 0.27 5.45 0.00 -1.26 -1.49 121.76 125.51 1s2b s ALA 28 Ca 0.28 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 50.65 1s2b s ALA 28 Cb -0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 1s2b s ALA 28 CO 0.16 0.20 0.45 0.45 0.00 0.00 0.00 175.76 177.02 1s2b s SER 29 N -2.74 0.21 0.00 0.00 0.15 -0.64 -4.45 113.70 106.22 1s2b s SER 29 Ca 0.16 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1s2b s SER 29 Cb -0.05 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1s2b s SER 29 CO 0.06 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 173.94 1s2b n GLY 30 N -0.43 1.03 0.00 9.45 0.00 -1.26 -2.15 105.19 111.84 1s2b n GLY 30 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1s2b n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s2b n GLY 31 N -0.21 2.34 0.26 -0.02 0.00 -1.24 -4.43 105.19 101.89 1s2b n GLY 31 Ca 0.00 -1.97 0.10 0.00 0.00 0.00 0.00 46.02 44.15 1s2b n GLY 31 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s2b h SER 32 N 0.00 0.00 0.99 1.61 4.64 -1.94 -2.17 113.55 116.68 1s2b h SER 32 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s2b h SER 32 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s2b h SER 32 CO 0.00 0.10 -0.22 -1.20 -0.87 0.00 0.00 176.83 174.64 1s2b n SER 33 N -4.02 0.44 -4.78 4.97 7.64 -1.26 -4.48 113.62 112.13 1s2b n SER 33 Ca -0.02 0.29 -0.39 0.00 1.01 0.00 0.00 58.87 59.75 1s2b n SER 33 Cb 0.19 -0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 1s2b n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s2b s ALA 34 N -3.06 3.47 0.36 -0.43 0.00 -0.89 -3.86 121.76 117.35 1s2b s ALA 34 Ca 0.11 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1s2b s ALA 34 Cb 0.16 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.41 1s2b s ALA 34 CO 0.62 0.27 0.57 0.00 0.00 0.00 0.00 175.76 177.22 1s2b s ALA 35 N -0.92 0.33 0.02 0.00 0.00 -0.01 0.08 121.76 121.26 1s2b s ALA 35 Ca 0.34 -1.29 -0.28 0.00 0.00 0.00 0.00 51.96 50.73 1s2b s ALA 35 Cb -0.22 1.02 0.10 0.00 0.00 0.00 0.00 23.12 24.02 1s2b s ALA 35 CO 0.24 -0.85 0.94 0.20 0.00 0.00 0.00 175.76 176.29 1s2b s GLY 36 N -3.19 -0.40 0.01 0.00 0.00 -0.78 -1.04 107.32 101.92 1s2b s GLY 36 Ca 0.26 0.84 -0.07 0.00 0.00 0.00 0.00 44.72 45.75 1s2b s GLY 36 CO 0.18 0.26 0.13 -1.08 0.00 0.00 0.00 173.10 172.59 1s2b s THR 37 N -3.08 0.10 -0.08 0.90 -1.32 -0.91 -1.55 115.64 109.70 1s2b s THR 37 Ca 0.07 -0.79 0.03 0.00 -1.21 0.00 0.00 61.69 59.79 1s2b s THR 37 Cb -0.01 -0.55 0.01 0.00 -1.51 0.00 0.00 72.50 70.44 1s2b s THR 37 CO -0.06 -0.43 -0.15 0.00 -2.21 0.00 0.00 174.62 171.77 1s2b s ALA 38 N -1.71 1.51 0.18 11.08 0.00 -0.66 -0.86 121.76 131.29 1s2b s ALA 38 Ca -0.12 -0.57 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 1s2b s ALA 38 Cb -0.06 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1s2b s ALA 38 CO -0.00 0.14 0.47 1.67 0.00 0.00 0.00 175.76 178.04 1s2b s TRP 39 N 0.61 -0.08 0.15 0.00 1.48 -0.33 -1.54 118.94 119.23 1s2b s TRP 39 Ca -0.15 -0.26 0.11 0.00 -1.06 0.00 0.00 56.10 54.74 1s2b s TRP 39 Cb -0.16 0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 32.42 1s2b s TRP 39 CO 0.05 -0.85 -0.26 0.14 -4.06 0.00 0.00 176.95 171.97 1s2b s VAL 40 N -3.87 2.28 0.12 -0.66 -7.23 -0.92 -0.85 120.40 109.28 1s2b s VAL 40 Ca 0.09 -1.84 -0.24 0.00 -1.81 0.00 0.00 61.98 58.17 1s2b s VAL 40 Cb 0.00 -2.03 0.08 0.00 0.56 0.00 0.00 36.38 34.99 1s2b s VAL 40 CO -0.05 0.02 1.11 -0.83 -0.31 0.00 0.00 175.10 175.05 1s2b s GLY 41 N -2.25 0.01 -0.05 2.32 0.00 -0.62 -2.32 107.32 104.41 1s2b s GLY 41 Ca 0.16 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.75 1s2b s GLY 41 CO 0.07 2.95 -0.18 -0.42 0.00 0.00 0.00 173.10 175.52 1s2b s ILE 42 N -2.21 1.51 0.15 0.90 1.01 0.22 -1.23 121.20 121.55 1s2b s ILE 42 Ca 0.23 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1s2b s ILE 42 Cb -0.02 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.15 1s2b s ILE 42 CO 0.03 0.43 0.00 0.47 0.00 0.00 0.00 174.94 175.88 1s2b n ASP 43 N 3.23 -4.87 0.00 3.58 10.43 0.14 -1.71 116.55 127.35 1s2b n ASP 43 Ca -0.19 0.71 0.00 0.00 2.57 0.00 0.00 54.79 57.89 1s2b n ASP 43 Cb 0.53 -2.01 0.00 0.00 1.84 0.00 0.00 41.12 41.48 1s2b n ASP 43 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s2b n GLY 44 N -2.24 1.36 0.00 0.44 0.00 0.31 -4.73 105.19 100.34 1s2b n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s2b n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s2b n ASP 45 N 0.00 0.00 0.22 1.61 4.64 -1.26 -4.75 116.55 117.01 1s2b n ASP 45 Ca 0.00 0.00 0.11 0.00 -1.38 0.00 0.00 54.79 53.52 1s2b n ASP 45 Cb 0.00 0.00 0.33 0.00 -1.04 0.00 0.00 41.12 40.41 1s2b n ASP 45 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1s2b h THR 46 N 0.00 0.26 -3.21 5.18 1.35 -1.94 -3.38 112.91 111.17 1s2b h THR 46 Ca 0.00 -1.11 -0.74 0.00 -0.55 0.00 0.00 66.41 64.01 1s2b h THR 46 Cb 0.00 1.90 -0.22 0.00 -1.73 0.00 0.00 68.15 68.10 1s2b h THR 46 CO 0.00 0.13 -0.23 0.00 -0.25 0.00 0.00 175.52 175.17 1s2b n GLN 48 N 5.39 4.11 0.03 0.00 6.02 -1.26 -0.53 117.38 131.14 1s2b n GLN 48 Ca -0.12 -3.07 0.11 0.00 -0.01 0.00 0.00 57.00 53.91 1s2b n GLN 48 Cb 0.43 -2.14 -0.05 0.00 1.02 0.00 0.00 30.24 29.50 1s2b n GLN 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1s2b n THR 49 N 0.14 0.23 -3.62 5.09 -2.24 -1.26 -5.01 114.28 107.61 1s2b n THR 49 Ca 0.28 -0.39 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 1s2b n THR 49 Cb 1.14 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 1s2b n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s2b s ALA 50 N -3.33 -1.98 -0.18 6.98 0.00 -1.23 -4.01 121.76 118.01 1s2b s ALA 50 Ca -0.01 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 1s2b s ALA 50 Cb 0.13 0.30 0.08 0.00 0.00 0.00 0.00 23.12 23.63 1s2b s ALA 50 CO 0.83 -0.85 0.39 -1.50 0.00 0.00 0.00 175.76 174.63 1s2b s ILE 51 N -2.75 -0.45 -0.32 0.00 -1.16 -1.26 -3.05 121.20 112.22 1s2b s ILE 51 Ca 0.11 0.17 -0.12 0.00 -0.51 0.00 0.00 60.65 60.29 1s2b s ILE 51 Cb 0.01 -0.61 -0.03 0.00 0.61 0.00 0.00 42.46 42.44 1s2b s ILE 51 CO -0.04 0.07 0.22 -0.22 -2.81 0.00 0.00 174.94 172.16 1s2b s LEU 52 N 2.26 4.32 0.08 8.50 0.20 -0.69 -3.98 118.68 129.36 1s2b s LEU 52 Ca -0.03 -0.30 -0.12 0.00 0.69 0.00 0.00 54.13 54.36 1s2b s LEU 52 Cb -0.11 -2.12 0.01 0.00 -0.43 0.00 0.00 46.19 43.55 1s2b s LEU 52 CO -0.12 -0.17 0.28 0.00 -0.29 0.00 0.00 176.35 176.05 1s2b s GLN 53 N 1.72 0.88 -0.18 1.98 -2.07 -0.04 -0.61 119.66 121.35 1s2b s GLN 53 Ca 0.06 -0.73 -0.20 0.00 -1.82 0.00 0.00 55.36 52.68 1s2b s GLN 53 Cb -0.17 0.37 0.05 0.00 -1.09 0.00 0.00 33.01 32.18 1s2b s GLN 53 CO 0.10 -0.30 0.54 -0.08 -1.32 0.00 0.00 175.29 174.23 1s2b s THR 54 N -3.34 0.00 0.00 3.63 -1.32 -0.98 0.02 115.64 113.65 1s2b s THR 54 Ca 0.01 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1s2b s THR 54 Cb 0.02 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1s2b s THR 54 CO -0.08 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1s2b n GLY 55 N 2.50 1.26 3.13 6.08 0.00 -0.86 -2.16 105.19 115.15 1s2b n GLY 55 Ca -0.15 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 1s2b n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s2b s PHE 56 N -2.15 0.72 0.22 1.61 -0.71 -0.59 -1.45 117.98 115.63 1s2b s PHE 56 Ca 0.00 -0.98 0.10 0.00 -1.04 0.00 0.00 56.93 55.02 1s2b s PHE 56 Cb 0.00 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 1s2b s PHE 56 CO 0.00 -0.25 -0.15 -0.51 -1.34 0.00 0.00 175.22 172.97 1s2b s ASP 57 N -2.97 3.91 -0.01 1.98 1.01 0.38 -1.66 116.67 119.32 1s2b s ASP 57 Ca 0.09 -0.77 0.03 0.00 0.71 0.00 0.00 52.55 52.61 1s2b s ASP 57 Cb 0.06 -0.51 -0.01 0.00 1.01 0.00 0.00 42.92 43.48 1s2b s ASP 57 CO -0.07 0.08 -0.08 -1.66 0.21 0.00 0.00 175.17 173.65 1s2b s TRP 58 N -1.95 0.77 0.15 4.23 -2.14 -0.60 -2.49 118.94 116.91 1s2b s TRP 58 Ca 0.26 -0.15 0.10 0.00 2.66 0.00 0.00 56.10 58.97 1s2b s TRP 58 Cb -0.07 -0.50 -0.04 0.00 -3.10 0.00 0.00 33.47 29.75 1s2b s TRP 58 CO 0.14 -0.02 -0.20 0.71 -2.66 0.00 0.00 176.95 174.92 1s2b s TYR 59 N -0.15 2.45 -1.21 1.66 1.51 -0.30 -1.87 117.35 119.43 1s2b s TYR 59 Ca 0.03 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1s2b s TYR 59 Cb -0.04 -1.26 0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1s2b s TYR 59 CO -0.00 0.43 0.91 0.41 -1.11 0.00 0.00 175.55 176.19 1s2b n GLY 60 N 0.55 -0.41 1.65 0.71 0.00 0.11 -1.60 105.19 106.19 1s2b n GLY 60 Ca -0.14 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1s2b n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s2b n ASP 61 N -1.39 4.92 0.00 1.61 3.85 -1.19 -3.62 116.55 120.73 1s2b n ASP 61 Ca 0.00 -2.60 0.00 0.00 -0.71 0.00 0.00 54.79 51.48 1s2b n ASP 61 Cb 0.00 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.16 1s2b n ASP 61 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s2b n GLY 62 N 0.90 0.92 3.95 6.12 0.00 -0.63 -5.00 105.19 111.46 1s2b n GLY 62 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1s2b n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s2b s THR 63 N -3.59 4.42 0.19 2.61 -4.23 -1.25 -4.92 115.64 108.88 1s2b s THR 63 Ca 0.00 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 59.97 1s2b s THR 63 Cb 0.00 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.19 1s2b s THR 63 CO 0.00 -0.42 0.23 -0.31 -0.54 0.00 0.00 174.62 173.58 1s2b s TYR 64 N -2.46 0.76 0.11 3.99 2.02 -1.26 -1.15 117.35 119.37 1s2b s TYR 64 Ca 0.45 -1.07 -0.25 0.00 -0.37 0.00 0.00 57.07 55.83 1s2b s TYR 64 Cb -0.10 -0.27 0.08 0.00 -0.40 0.00 0.00 41.96 41.28 1s2b s TYR 64 CO 0.37 -0.72 0.70 0.16 -1.57 0.00 0.00 175.55 174.49 1s2b s ASP 65 N -3.07 -0.49 0.25 2.29 3.84 -1.04 -4.87 116.67 113.58 1s2b s ASP 65 Ca 0.28 -0.02 0.11 0.00 -0.00 0.00 0.00 52.55 52.92 1s2b s ASP 65 Cb 0.05 0.53 -0.05 0.00 -1.38 0.00 0.00 42.92 42.07 1s2b s ASP 65 CO 0.07 -0.87 -0.20 0.00 -0.00 0.00 0.00 175.17 174.18 1s2b s ALA 66 N -3.55 2.57 0.27 2.11 0.00 -0.93 -0.47 121.76 121.77 1s2b s ALA 66 Ca 0.03 -1.80 -0.21 0.00 0.00 0.00 0.00 51.96 49.98 1s2b s ALA 66 Cb -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1s2b s ALA 66 CO -0.11 0.26 0.75 1.67 0.00 0.00 0.00 175.76 178.33 1s2b s TRP 67 N -2.46 -0.17 0.09 0.00 1.48 -0.53 -1.59 118.94 115.75 1s2b s TRP 67 Ca 0.27 -0.29 -0.06 0.00 -1.06 0.00 0.00 56.10 54.95 1s2b s TRP 67 Cb -0.05 0.71 -0.01 0.00 -1.16 0.00 0.00 33.47 32.96 1s2b s TRP 67 CO 0.13 -1.22 0.14 1.52 -4.06 0.00 0.00 176.95 173.46 1s2b s TYR 68 N -3.77 0.30 -0.24 1.66 1.13 -0.55 -2.03 117.35 113.85 1s2b s TYR 68 Ca 0.11 -0.75 -0.26 0.00 -1.41 0.00 0.00 57.07 54.76 1s2b s TYR 68 Cb -0.06 -0.16 0.12 0.00 -1.10 0.00 0.00 41.96 40.76 1s2b s TYR 68 CO 0.07 -0.52 0.99 -2.00 -2.51 0.00 0.00 175.55 171.58 1s2b s GLU 69 N -3.89 0.57 0.00 -3.49 2.12 0.10 -1.92 118.70 112.18 1s2b s GLU 69 Ca 0.07 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.90 1s2b s GLU 69 Cb 0.06 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.72 1s2b s GLU 69 CO -0.09 -0.10 0.00 1.87 -0.54 0.00 0.00 175.26 176.39 1s2b n TRP 70 N 1.83 0.00 0.00 5.30 -0.00 -1.26 -0.86 117.44 122.45 1s2b n TRP 70 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 1s2b n TRP 70 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 1s2b n TRP 70 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 1s2b n GLU 73 N -0.56 0.00 0.00 5.87 0.00 -0.81 -4.90 120.64 120.24 1s2b n GLU 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1s2b n GLU 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1s2b n GLU 73 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1s2b n VAL 74 N -1.85 0.00 0.00 3.84 0.24 -1.26 -1.49 118.33 117.81 1s2b n VAL 74 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1s2b n VAL 74 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1s2b n VAL 74 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1s2b n SER 75 N 0.00 0.00 -0.46 -1.34 3.41 -0.62 -4.71 113.62 109.91 1s2b n SER 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1s2b n SER 75 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s2b n SER 75 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s2b n ILE 81 N 0.00 0.00 -4.31 -1.33 5.41 -1.26 -2.19 119.36 115.68 1s2b n ILE 81 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 1s2b n ILE 81 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 1s2b n ILE 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1s2b s THR 82 N -1.51 4.34 -0.06 1.39 -1.32 -1.26 -4.78 115.64 112.44 1s2b s THR 82 Ca 0.00 -0.22 0.05 0.00 -1.21 0.00 0.00 61.69 60.31 1s2b s THR 82 Cb 0.00 -2.86 -0.01 0.00 -1.51 0.00 0.00 72.50 68.11 1s2b s THR 82 CO 0.00 0.56 -0.22 -0.63 -2.21 0.00 0.00 174.62 172.12 1s2b s ILE 83 N -0.47 2.30 0.08 5.08 1.01 -1.26 -4.97 121.20 122.97 1s2b s ILE 83 Ca 0.09 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1s2b s ILE 83 Cb -0.12 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1s2b s ILE 83 CO 0.02 0.57 -0.12 -0.44 0.00 0.00 0.00 174.94 174.97 1s2b s SER 84 N -0.24 1.49 0.16 3.58 0.01 -1.26 -4.69 113.70 112.74 1s2b s SER 84 Ca -0.01 -0.67 -0.34 0.00 1.31 0.00 0.00 55.95 56.24 1s2b s SER 84 Cb -0.13 -0.02 -0.15 0.00 0.21 0.00 0.00 66.02 65.93 1s2b s SER 84 CO 0.03 -0.16 1.37 1.21 0.41 0.00 0.00 173.24 176.11 1s2b n GLU 85 N 1.06 1.59 0.00 12.44 0.00 -1.26 -0.98 120.64 133.49 1s2b n GLU 85 Ca -0.20 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.54 1s2b n GLU 85 Cb 0.55 -2.21 0.00 0.00 0.00 0.00 0.00 31.44 29.78 1s2b n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s2b n GLY 86 N 2.55 2.45 3.73 8.31 0.00 0.94 -4.98 105.19 118.19 1s2b n GLY 86 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1s2b n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s2b s ASP 87 N -1.61 4.46 -0.34 1.61 1.01 -0.16 -4.60 116.67 117.04 1s2b s ASP 87 Ca 0.00 2.37 -0.08 0.00 0.71 0.00 0.00 52.55 55.55 1s2b s ASP 87 Cb 0.00 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.37 1s2b s ASP 87 CO 0.00 -2.09 0.13 -0.55 0.21 0.00 0.00 175.17 172.87 1s2b s SER 88 N -1.93 5.39 -0.24 0.27 0.15 -1.25 -0.59 113.70 115.50 1s2b s SER 88 Ca 0.75 -1.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.27 1s2b s SER 88 Cb -0.30 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 1s2b s SER 88 CO 0.42 -0.32 0.10 -0.63 1.20 0.00 0.00 173.24 174.01 1s2b s ILE 89 N 1.45 4.66 -0.25 6.45 -1.09 0.12 -3.39 121.20 129.15 1s2b s ILE 89 Ca -0.00 -0.06 -0.15 0.00 -2.23 0.00 0.00 60.65 58.21 1s2b s ILE 89 Cb -0.19 -3.17 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1s2b s ILE 89 CO 0.04 0.34 0.39 -1.58 -1.23 0.00 0.00 174.94 172.90 1s2b s GLN 90 N 1.38 4.06 0.02 2.79 0.74 0.22 0.08 119.66 128.96 1s2b s GLN 90 Ca 0.06 0.11 0.06 0.00 0.05 0.00 0.00 55.36 55.63 1s2b s GLN 90 Cb -0.15 -3.62 -0.03 0.00 1.10 0.00 0.00 33.01 30.31 1s2b s GLN 90 CO 0.05 -0.22 -0.14 -1.64 -0.55 0.00 0.00 175.29 172.79 1s2b s MET 91 N 1.90 2.27 -0.24 1.67 -1.94 0.44 -1.12 119.30 122.28 1s2b s MET 91 Ca 0.16 -0.87 -0.26 0.00 -1.71 0.00 0.00 55.69 53.01 1s2b s MET 91 Cb -0.15 -2.31 0.07 0.00 2.01 0.00 0.00 34.83 34.45 1s2b s MET 91 CO 0.09 0.57 0.74 0.45 -0.01 0.00 0.00 175.02 176.86 1s2b s SER 92 N -1.37 -0.71 0.04 3.03 0.15 -0.35 -1.69 113.70 112.80 1s2b s SER 92 Ca 0.15 1.29 0.04 0.00 0.70 0.00 0.00 55.95 58.13 1s2b s SER 92 Cb -0.11 1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 65.46 1s2b s SER 92 CO 0.06 -0.30 -0.11 0.68 1.20 0.00 0.00 173.24 174.77 1s2b s VAL 93 N 0.13 0.87 -0.02 4.45 -7.23 -0.58 0.14 120.40 118.16 1s2b s VAL 93 Ca -0.01 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1s2b s VAL 93 Cb -0.04 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 36.08 1s2b s VAL 93 CO 0.02 -0.09 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.77 1s2b s THR 94 N -0.91 0.51 -0.35 5.32 2.01 0.12 -1.59 115.64 120.75 1s2b s THR 94 Ca -0.02 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1s2b s THR 94 Cb -0.08 -0.47 0.10 0.00 0.01 0.00 0.00 72.50 72.06 1s2b s THR 94 CO 0.01 0.17 0.09 0.00 -0.69 0.00 0.00 174.62 174.19 1s2b s ALA 95 N 0.18 2.96 -0.03 7.40 0.00 0.27 -0.24 121.76 132.29 1s2b s ALA 95 Ca -0.02 -2.43 0.23 0.00 0.00 0.00 0.00 51.96 49.74 1s2b s ALA 95 Cb -0.06 -2.09 0.70 0.00 0.00 0.00 0.00 23.12 21.66 1s2b s ALA 95 CO -0.00 -1.66 1.73 1.79 0.00 0.00 0.00 175.76 177.61 1s2b h THR 96 N 6.53 0.46 -2.87 0.00 1.35 -1.57 -3.43 112.91 113.38 1s2b h THR 96 Ca -0.09 -1.26 -0.06 0.00 -0.55 0.00 0.00 66.41 64.45 1s2b h THR 96 Cb 1.03 1.91 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1s2b h THR 96 CO 0.58 0.21 0.13 -1.54 -0.25 0.00 0.00 175.52 174.65 1s2b n SER 97 N -3.27 -1.52 0.00 5.36 3.41 -1.00 -4.98 113.62 111.62 1s2b n SER 97 Ca 0.01 -2.19 0.11 0.00 -0.26 0.00 0.00 58.87 56.53 1s2b n SER 97 Cb 0.50 2.57 0.53 0.00 -0.26 0.00 0.00 64.21 67.54 1s2b n SER 97 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1s2b n ASP 98 N -1.46 0.00 -0.29 4.04 9.92 -1.26 -3.53 116.55 123.97 1s2b n ASP 98 Ca -0.05 0.11 0.01 0.00 -0.53 0.00 0.00 54.79 54.33 1s2b n ASP 98 Cb 0.43 -0.34 0.01 0.00 -0.64 0.00 0.00 41.12 40.58 1s2b n ASP 98 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1s2b n THR 99 N -1.34 0.23 -3.72 -3.53 5.66 -1.26 -0.09 114.28 110.22 1s2b n THR 99 Ca 0.09 -0.27 -0.14 0.00 -3.05 0.00 0.00 64.05 60.68 1s2b n THR 99 Cb 0.20 0.58 -0.08 0.00 -1.55 0.00 0.00 70.33 69.47 1s2b n THR 99 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1s2b s SER 100 N -0.88 -0.28 0.00 1.09 1.04 -1.23 -1.97 113.70 111.47 1s2b s SER 100 Ca 0.03 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1s2b s SER 100 Cb 0.03 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1s2b s SER 100 CO 0.00 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1s2b n GLY 101 N 1.37 -0.55 3.44 7.32 0.00 -0.91 -1.52 105.19 114.35 1s2b n GLY 101 Ca -0.20 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1s2b n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s2b s SER 102 N -4.00 -0.23 -0.02 1.61 1.04 0.67 0.07 113.70 112.83 1s2b s SER 102 Ca 0.00 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1s2b s SER 102 Cb 0.00 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.67 1s2b s SER 102 CO 0.00 -0.98 -0.04 0.00 0.98 0.00 0.00 173.24 173.20 1s2b s ALA 103 N -3.86 0.51 -0.00 5.32 0.00 -0.44 -0.70 121.76 122.58 1s2b s ALA 103 Ca 0.08 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1s2b s ALA 103 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1s2b s ALA 103 CO -0.05 0.03 -0.08 0.99 0.00 0.00 0.00 175.76 176.66 1s2b s THR 104 N 0.48 0.59 -0.06 0.00 2.01 0.12 -1.10 115.64 117.68 1s2b s THR 104 Ca -0.06 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1s2b s THR 104 Cb -0.09 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1s2b s THR 104 CO -0.00 0.13 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.79 1s2b s LEU 105 N -0.28 1.21 -0.13 4.42 2.96 -0.64 -1.21 118.68 125.01 1s2b s LEU 105 Ca 0.02 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1s2b s LEU 105 Cb -0.03 -0.52 0.04 0.00 0.50 0.00 0.00 46.19 46.17 1s2b s LEU 105 CO -0.00 -0.08 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.25 1s2b s GLU 106 N 1.17 0.85 0.42 1.98 2.12 -0.27 -1.00 118.70 123.96 1s2b s GLU 106 Ca -0.07 -0.21 0.28 0.00 0.36 0.00 0.00 54.97 55.33 1s2b s GLU 106 Cb -0.14 -1.60 1.50 0.00 0.26 0.00 0.00 34.13 34.16 1s2b s GLU 106 CO -0.01 -0.44 1.87 -0.97 -0.54 0.00 0.00 175.26 175.17 1s2b h ASN 107 N 8.25 0.00 0.00 -1.70 -0.73 -1.56 0.66 115.58 120.50 1s2b h ASN 107 Ca -0.20 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.97 1s2b h ASN 107 Cb 1.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.71 1s2b h ASN 107 CO 0.32 0.00 0.00 0.18 -0.37 0.00 0.00 177.43 177.56 1s2b n LEU 108 N -2.51 0.00 0.03 0.34 4.32 -1.22 -3.81 117.00 114.15 1s2b n LEU 108 Ca -0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.79 1s2b n LEU 108 Cb 0.07 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.75 1s2b n LEU 108 CO 0.14 0.00 0.15 0.74 -1.22 0.00 0.00 177.39 177.20 1s2b h THR 109 N 0.00 1.44 0.00 -5.08 2.02 -1.88 -3.33 112.91 106.08 1s2b h THR 109 Ca 0.00 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.91 1s2b h THR 109 Cb 0.00 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1s2b h THR 109 CO 0.00 0.66 -0.89 0.35 0.37 0.00 0.00 175.52 176.00 1s2b n THR 110 N -4.15 0.16 -0.97 3.16 -2.24 -1.25 -4.96 114.28 104.03 1s2b n THR 110 Ca -0.12 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1s2b n THR 110 Cb 0.75 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1s2b n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s2b n GLY 111 N 1.39 0.50 3.89 3.38 0.00 -1.25 -5.03 105.19 108.07 1s2b n GLY 111 Ca 0.03 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1s2b n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s2b s GLN 112 N -0.17 3.62 -0.26 1.61 -0.21 -1.26 -4.90 119.66 118.09 1s2b s GLN 112 Ca 0.00 0.34 -0.18 0.00 0.02 0.00 0.00 55.36 55.54 1s2b s GLN 112 Cb 0.00 -2.35 0.07 0.00 1.00 0.00 0.00 33.01 31.73 1s2b s GLN 112 CO 0.00 -0.19 0.66 0.21 -2.12 0.00 0.00 175.29 173.86 1s2b s LYS 113 N -4.50 0.71 0.12 2.91 2.20 -1.26 -1.69 119.74 118.23 1s2b s LYS 113 Ca 0.49 1.11 0.09 0.00 -0.36 0.00 0.00 55.97 57.31 1s2b s LYS 113 Cb -0.10 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 1s2b s LYS 113 CO 0.41 -0.13 -0.23 0.14 -0.36 0.00 0.00 175.35 175.18 1s2b s VAL 114 N 1.25 1.92 0.03 4.02 -7.23 -0.17 -4.97 120.40 115.25 1s2b s VAL 114 Ca -0.07 -1.66 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1s2b s VAL 114 Cb -0.05 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.15 1s2b s VAL 114 CO -0.13 -0.04 0.21 -0.55 -0.31 0.00 0.00 175.10 174.28 1s2b s SER 115 N -2.06 -0.01 -0.08 4.85 0.15 -1.26 -1.63 113.70 113.67 1s2b s SER 115 Ca 0.10 -0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.43 1s2b s SER 115 Cb -0.10 0.29 0.04 0.00 -1.71 0.00 0.00 66.02 64.55 1s2b s SER 115 CO 0.05 -0.53 0.18 -0.75 1.20 0.00 0.00 173.24 173.40 1s2b s LYS 116 N -2.29 0.13 -0.12 5.44 2.47 -0.26 -5.00 119.74 120.12 1s2b s LYS 116 Ca -0.07 0.46 -0.05 0.00 -1.56 0.00 0.00 55.97 54.74 1s2b s LYS 116 Cb -0.02 -0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.15 1s2b s LYS 116 CO -0.02 -0.18 0.07 0.45 0.16 0.00 0.00 175.35 175.82 1s2b s SER 117 N 1.35 5.77 0.13 1.43 0.15 -1.26 -1.33 113.70 119.94 1s2b s SER 117 Ca -0.08 0.27 0.11 0.00 0.70 0.00 0.00 55.95 56.94 1s2b s SER 117 Cb -0.11 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1s2b s SER 117 CO -0.07 0.36 -0.25 -0.36 1.20 0.00 0.00 173.24 174.12 1s2b s PHE 118 N -0.72 2.35 -0.07 3.44 0.40 0.11 -4.98 117.98 118.51 1s2b s PHE 118 Ca 0.12 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.80 1s2b s PHE 118 Cb -0.12 -1.26 0.10 0.00 0.51 0.00 0.00 43.02 42.25 1s2b s PHE 118 CO 0.03 0.36 0.84 -1.54 0.70 0.00 0.00 175.22 175.61 1s2b s SER 119 N -2.13 -0.48 -1.40 1.36 1.04 -1.26 -2.14 113.70 108.69 1s2b s SER 119 Ca 0.15 0.39 -0.05 0.00 0.48 0.00 0.00 55.95 56.93 1s2b s SER 119 Cb -0.10 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1s2b s SER 119 CO 0.07 -0.54 0.38 0.59 0.98 0.00 0.00 173.24 174.72 1s2b n ASN 120 N 0.50 -4.93 -4.55 7.02 3.02 -1.03 -4.86 115.26 110.43 1s2b n ASN 120 Ca -0.13 -0.19 -0.39 0.00 -0.03 0.00 0.00 54.58 53.84 1s2b n ASN 120 Cb 0.59 -4.06 -0.03 0.00 -0.61 0.00 0.00 39.78 35.68 1s2b n ASN 120 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1s2b s GLU 121 N -5.59 2.69 -0.11 3.52 2.56 -0.83 -4.80 118.70 116.14 1s2b s GLU 121 Ca 0.24 0.65 -0.05 0.00 0.00 0.00 0.00 54.97 55.81 1s2b s GLU 121 Cb -0.12 -4.37 -0.26 0.00 2.00 0.00 0.00 34.13 31.38 1s2b s GLU 121 CO 0.29 -2.66 0.42 0.66 -0.56 0.00 0.00 175.26 173.42 1s2b h SER 122 N 14.73 0.39 0.00 -1.70 4.64 -1.90 -3.37 113.55 126.34 1s2b h SER 122 Ca -0.26 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 60.19 1s2b h SER 122 Cb 1.16 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1s2b h SER 122 CO 1.21 1.77 0.00 -1.54 -0.87 0.00 0.00 176.83 177.40 1s2b n SER 123 N -3.45 0.00 0.00 4.97 3.41 -1.26 -4.54 113.62 112.75 1s2b n SER 123 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1s2b n SER 123 Cb 1.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 1s2b n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s2b n GLY 124 N -0.82 2.82 3.93 5.00 0.00 -1.26 -5.02 105.19 109.84 1s2b n GLY 124 Ca 0.00 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1s2b n GLY 124 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s2b s SER 125 N 0.00 6.22 0.60 1.61 0.01 -1.26 -4.83 113.70 116.05 1s2b s SER 125 Ca 0.00 0.11 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 1s2b s SER 125 Cb 0.00 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.40 1s2b s SER 125 CO 0.00 0.04 0.91 -0.76 0.41 0.00 0.00 173.24 173.84 1s2b s LEU 126 N -3.33 3.20 -0.04 2.44 1.43 0.87 -3.48 118.68 119.78 1s2b s LEU 126 Ca 0.34 0.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.20 1s2b s LEU 126 Cb -0.11 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 1s2b s LEU 126 CO 0.28 -1.10 0.07 0.00 0.23 0.00 0.00 176.35 175.83 1s2b n ARG 128 N -2.01 -2.64 0.00 0.00 5.12 -1.26 -4.62 116.66 111.25 1s2b n ARG 128 Ca -0.06 0.55 0.05 0.00 -1.93 0.00 0.00 57.85 56.46 1s2b n ARG 128 Cb 0.47 -4.66 -0.04 0.00 -1.16 0.00 0.00 32.46 27.07 1s2b n ARG 128 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1s2b n THR 129 N -4.00 0.00 -4.73 0.55 -2.24 -1.26 -2.03 114.28 100.57 1s2b n THR 129 Ca -0.08 -0.31 -0.24 0.00 -2.27 0.00 0.00 64.05 61.16 1s2b n THR 129 Cb 0.58 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.69 1s2b n THR 129 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1s2b s ASN 130 N -1.76 1.86 -0.03 3.42 0.02 -1.26 -0.57 114.94 116.62 1s2b s ASN 130 Ca 0.05 -0.29 0.02 0.00 -1.02 0.00 0.00 52.86 51.62 1s2b s ASN 130 Cb 0.08 -0.32 0.01 0.00 0.02 0.00 0.00 41.25 41.03 1s2b s ASN 130 CO 0.36 0.17 -0.10 0.00 0.02 0.00 0.00 177.10 177.55 1s2b s ALA 131 N -0.20 0.94 0.09 0.60 0.00 -0.24 0.28 121.76 123.23 1s2b s ALA 131 Ca 0.02 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 1s2b s ALA 131 Cb -0.08 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1s2b s ALA 131 CO 0.00 0.13 0.33 -1.83 0.00 0.00 0.00 175.76 174.40 1s2b s GLU 132 N 0.32 0.95 -0.19 0.00 1.03 -0.37 0.40 118.70 120.83 1s2b s GLU 132 Ca -0.06 -0.69 -0.00 0.00 0.03 0.00 0.00 54.97 54.25 1s2b s GLU 132 Cb -0.10 0.41 0.05 0.00 -0.80 0.00 0.00 34.13 33.68 1s2b s GLU 132 CO 0.01 -0.34 -0.04 -0.06 -1.33 0.00 0.00 175.26 173.50 1s2b s PHE 133 N -3.42 1.82 0.09 4.83 0.40 -0.69 -1.59 117.98 119.42 1s2b s PHE 133 Ca 0.01 -1.26 0.05 0.00 -0.60 0.00 0.00 56.93 55.13 1s2b s PHE 133 Cb 0.02 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1s2b s PHE 133 CO -0.09 -0.66 -0.14 0.42 0.70 0.00 0.00 175.22 175.45 1s2b s ILE 134 N 1.59 1.16 -0.15 0.64 -1.09 -0.03 -1.70 121.20 121.62 1s2b s ILE 134 Ca -0.01 -1.45 0.02 0.00 -2.23 0.00 0.00 60.65 56.98 1s2b s ILE 134 Cb -0.17 -1.22 0.01 0.00 -1.58 0.00 0.00 42.46 39.50 1s2b s ILE 134 CO -0.07 -0.30 -0.21 -0.63 -1.23 0.00 0.00 174.94 172.49 1s2b s ILE 135 N -1.60 2.08 0.08 2.92 -1.09 0.11 -1.19 121.20 122.51 1s2b s ILE 135 Ca 0.02 -0.96 0.05 0.00 -2.23 0.00 0.00 60.65 57.52 1s2b s ILE 135 Cb -0.08 -1.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 1s2b s ILE 135 CO 0.02 0.54 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.45 1s2b s GLU 136 N 0.97 0.81 -0.87 2.79 2.12 -0.03 -0.47 118.70 124.02 1s2b s GLU 136 Ca -0.03 -1.00 -0.13 0.00 0.36 0.00 0.00 54.97 54.17 1s2b s GLU 136 Cb -0.15 -0.71 0.23 0.00 0.26 0.00 0.00 34.13 33.76 1s2b s GLU 136 CO -0.06 0.14 0.81 0.34 -0.54 0.00 0.00 175.26 175.96 1s2b s ASP 137 N -1.95 6.80 0.88 -1.70 3.68 -0.49 -2.13 116.67 121.76 1s2b s ASP 137 Ca -0.00 -2.87 -0.11 0.00 2.13 0.00 0.00 52.55 51.70 1s2b s ASP 137 Cb -0.08 -2.19 0.12 0.00 -1.45 0.00 0.00 42.92 39.32 1s2b s ASP 137 CO 0.02 -0.51 1.09 0.72 0.13 0.00 0.00 175.17 176.62 1s2b s PHE 138 N -0.11 2.32 0.24 -5.34 -0.71 -1.26 -4.70 117.98 108.41 1s2b s PHE 138 Ca 0.20 1.33 -0.01 0.00 -1.04 0.00 0.00 56.93 57.41 1s2b s PHE 138 Cb -0.10 -3.14 -0.04 0.00 -1.21 0.00 0.00 43.02 38.52 1s2b s PHE 138 CO -0.09 -2.33 0.44 -1.21 -1.34 0.00 0.00 175.22 170.68 1s2b s GLU 139 N -4.91 3.53 -0.09 1.99 2.02 -1.26 -1.29 118.70 118.69 1s2b s GLU 139 Ca 0.63 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 55.30 1s2b s GLU 139 Cb -0.18 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.29 1s2b s GLU 139 CO 0.57 0.34 -0.05 -1.21 0.02 0.00 0.00 175.26 174.93 1s2b s GLU 140 N -3.54 1.14 0.46 1.61 0.41 0.14 -4.87 118.70 114.05 1s2b s GLU 140 Ca 0.39 -0.11 0.06 0.00 -0.41 0.00 0.00 54.97 54.90 1s2b s GLU 140 Cb -0.11 -1.31 -0.02 0.00 -1.78 0.00 0.00 34.13 30.91 1s2b s GLU 140 CO 0.30 -0.26 0.21 0.00 -0.49 0.00 0.00 175.26 175.02 1s2b n ASN 142 N -1.38 0.00 -3.82 0.00 5.15 -0.91 -4.98 115.26 109.32 1s2b n ASN 142 Ca -0.04 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.62 1s2b n ASN 142 Cb 0.65 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.92 1s2b n ASN 142 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1s2b n SER 143 N 0.01 -3.59 0.00 1.20 3.41 -1.26 -2.75 113.62 110.64 1s2b n SER 143 Ca 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1s2b n SER 143 Cb 0.00 -3.05 0.00 0.00 -0.26 0.00 0.00 64.21 60.90 1s2b n SER 143 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s2b n ASN 144 N -2.70 0.00 0.00 4.04 3.02 -1.26 -3.01 115.26 115.35 1s2b n ASN 144 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1s2b n ASN 144 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1s2b n ASN 144 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s2b n GLY 145 N 0.00 0.33 0.00 7.41 0.00 -1.11 -5.06 105.19 106.76 1s2b n GLY 145 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s2b n GLY 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s2b n SER 146 N 0.00 0.00 -4.61 1.61 3.41 -1.16 -4.79 113.62 108.08 1s2b n SER 146 Ca 0.00 0.23 -0.43 0.00 -0.26 0.00 0.00 58.87 58.41 1s2b n SER 146 Cb 0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1s2b n SER 146 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s2b s ASP 147 N -1.47 5.87 0.03 4.04 3.68 -1.25 -4.91 116.67 122.67 1s2b s ASP 147 Ca 0.00 1.59 0.08 0.00 2.13 0.00 0.00 52.55 56.35 1s2b s ASP 147 Cb 0.00 -2.52 -0.02 0.00 -1.45 0.00 0.00 42.92 38.92 1s2b s ASP 147 CO 0.00 -1.68 -0.22 0.00 0.13 0.00 0.00 175.17 173.40 1s2b s GLU 149 N -1.05 0.49 0.11 0.00 0.41 -0.04 -4.94 118.70 113.68 1s2b s GLU 149 Ca 0.09 -0.34 -0.30 0.00 -0.41 0.00 0.00 54.97 54.01 1s2b s GLU 149 Cb -0.09 0.21 -0.06 0.00 -1.78 0.00 0.00 34.13 32.41 1s2b s GLU 149 CO 0.01 -0.12 0.97 -0.06 -0.49 0.00 0.00 175.26 175.58 1s2b s PHE 150 N -1.29 3.79 0.57 1.61 0.40 -1.26 0.27 117.98 122.06 1s2b s PHE 150 Ca -0.14 1.78 -0.19 0.00 -0.60 0.00 0.00 56.93 57.78 1s2b s PHE 150 Cb -0.07 -3.07 -0.05 0.00 0.51 0.00 0.00 43.02 40.34 1s2b s PHE 150 CO 0.02 0.14 1.17 0.14 0.70 0.00 0.00 175.22 177.38 1s2b s VAL 151 N 0.04 2.88 0.40 -0.44 -7.23 -0.41 -4.91 120.40 110.73 1s2b s VAL 151 Ca 0.47 0.54 -0.27 0.00 -1.81 0.00 0.00 61.98 60.92 1s2b s VAL 151 Cb -0.24 -3.21 -0.10 0.00 0.56 0.00 0.00 36.38 33.39 1s2b s VAL 151 CO 0.30 -0.12 1.45 -2.65 -0.31 0.00 0.00 175.10 173.77 1s2b n PRO 152 N -1.47 2.48 -2.75 4.82 -0.02 -1.25 -4.80 135.00 132.01 1s2b n PRO 152 Ca 0.13 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 62.06 1s2b n PRO 152 Cb 0.50 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1s2b n PRO 152 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1s2b s PHE 153 N -1.14 3.39 0.42 6.00 5.99 -1.26 -0.83 117.98 130.54 1s2b s PHE 153 Ca 0.56 1.40 -0.22 0.00 0.00 0.00 0.00 56.93 58.67 1s2b s PHE 153 Cb -0.47 -3.17 -0.10 0.00 0.00 0.00 0.00 43.02 39.28 1s2b s PHE 153 CO 0.61 -0.37 0.99 0.00 -0.00 0.00 0.00 175.22 176.46 1s2b s ALA 154 N 2.69 3.03 0.40 11.12 0.00 -0.21 -4.74 121.76 134.05 1s2b s ALA 154 Ca 0.42 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 1s2b s ALA 154 Cb -0.16 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1s2b s ALA 154 CO 0.10 -0.05 0.87 -1.54 0.00 0.00 0.00 175.76 175.14 1s2b s SER 155 N -1.92 6.84 0.04 0.00 1.04 -0.91 -4.86 113.70 113.93 1s2b s SER 155 Ca 0.61 1.51 -0.10 0.00 0.48 0.00 0.00 55.95 58.45 1s2b s SER 155 Cb -0.15 -2.47 0.01 0.00 0.10 0.00 0.00 66.02 63.51 1s2b s SER 155 CO 0.19 -0.33 0.21 0.72 0.98 0.00 0.00 173.24 175.02 1s2b s PHE 156 N -2.16 0.03 -0.16 5.02 -0.12 -1.26 -1.62 117.98 117.72 1s2b s PHE 156 Ca 0.58 -0.25 -0.29 0.00 -0.05 0.00 0.00 56.93 56.93 1s2b s PHE 156 Cb -0.10 -0.01 0.10 0.00 -0.63 0.00 0.00 43.02 42.39 1s2b s PHE 156 CO 0.17 -0.44 0.88 -1.54 -0.05 0.00 0.00 175.22 174.23 1s2b s SER 157 N -2.11 -0.51 0.57 1.98 1.04 -0.56 -4.37 113.70 109.74 1s2b s SER 157 Ca -0.05 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1s2b s SER 157 Cb -0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1s2b s SER 157 CO -0.04 -0.38 0.00 -0.81 0.98 0.00 0.00 173.24 172.99 1s2b n PRO 158 N 1.24 -0.03 -2.05 4.02 -0.04 -1.26 -0.54 135.00 136.33 1s2b n PRO 158 Ca -0.14 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.94 1s2b n PRO 158 Cb 0.57 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.04 1s2b n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s2b s ALA 159 N -3.19 2.98 -0.29 0.55 0.00 -1.26 -4.78 121.76 115.76 1s2b s ALA 159 Ca 0.00 1.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 1s2b s ALA 159 Cb 0.00 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 1s2b s ALA 159 CO 0.00 -0.94 0.75 0.08 0.00 0.00 0.00 175.76 175.66 1s2b s VAL 160 N -1.40 4.84 -0.17 0.00 1.01 -0.35 -4.88 120.40 119.44 1s2b s VAL 160 Ca 0.65 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 1s2b s VAL 160 Cb -0.35 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1s2b s VAL 160 CO 0.42 -0.19 -0.11 -1.61 0.00 0.00 0.00 175.10 173.61 1s2b s GLU 161 N 2.85 3.30 -0.58 2.72 2.02 -1.26 -1.24 118.70 126.51 1s2b s GLU 161 Ca 0.31 -0.70 -0.22 0.00 0.02 0.00 0.00 54.97 54.38 1s2b s GLU 161 Cb -0.14 -2.75 0.06 0.00 0.10 0.00 0.00 34.13 31.40 1s2b s GLU 161 CO 0.11 -0.02 0.85 -0.06 0.02 0.00 0.00 175.26 176.17 1s2b s PHE 162 N 0.94 2.83 0.26 1.61 0.08 0.89 -3.68 117.98 120.91 1s2b s PHE 162 Ca -0.02 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.68 1s2b s PHE 162 Cb -0.15 -4.01 -0.03 0.00 -0.57 0.00 0.00 43.02 38.26 1s2b s PHE 162 CO -0.01 -1.37 0.34 0.95 -0.10 0.00 0.00 175.22 175.03 1s2b s THR 163 N 3.56 4.91 -1.34 0.64 -4.23 0.85 -1.03 115.64 119.00 1s2b s THR 163 Ca 0.22 -1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 59.60 1s2b s THR 163 Cb -0.17 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 70.01 1s2b s THR 163 CO 0.13 -0.31 0.40 0.47 -0.54 0.00 0.00 174.62 174.77 1s2b n ASP 164 N -1.39 -4.59 -4.67 3.99 8.00 -1.01 -1.24 116.55 115.64 1s2b n ASP 164 Ca -0.08 -0.22 -0.44 0.00 0.71 0.00 0.00 54.79 54.77 1s2b n ASP 164 Cb 0.57 -3.78 -0.02 0.00 -0.02 0.00 0.00 41.12 37.87 1s2b n ASP 164 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s2b s SER 166 N -0.01 0.31 -0.04 0.00 0.15 0.13 -4.88 113.70 109.36 1s2b s SER 166 Ca 0.63 0.02 0.03 0.00 0.70 0.00 0.00 55.95 57.33 1s2b s SER 166 Cb -0.64 -0.12 0.01 0.00 -1.71 0.00 0.00 66.02 63.56 1s2b s SER 166 CO 0.55 -0.14 -0.11 -0.69 1.20 0.00 0.00 173.24 174.05 1s2b s VAL 167 N 1.21 0.98 0.01 4.45 1.01 -1.26 -1.06 120.40 125.73 1s2b s VAL 167 Ca -0.07 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1s2b s VAL 167 Cb -0.13 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1s2b s VAL 167 CO -0.03 0.30 -0.15 -0.89 0.00 0.00 0.00 175.10 174.34 1s2b s THR 168 N 0.34 1.17 -0.05 3.92 2.01 -0.40 -1.15 115.64 121.48 1s2b s THR 168 Ca -0.07 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 1s2b s THR 168 Cb -0.11 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.43 1s2b s THR 168 CO 0.02 0.23 0.11 -0.94 -0.69 0.00 0.00 174.62 173.35 1s2b s SER 169 N -0.61 -0.01 -1.50 3.53 1.04 -0.17 0.19 113.70 116.16 1s2b s SER 169 Ca 0.05 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1s2b s SER 169 Cb -0.06 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1s2b s SER 169 CO 0.00 -0.15 0.00 0.47 0.98 0.00 0.00 173.24 174.54 1s2b n ASP 170 N 4.26 -4.83 0.00 7.02 8.00 -0.63 -0.95 116.55 129.43 1s2b n ASP 170 Ca -0.26 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1s2b n ASP 170 Cb 0.51 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 1s2b n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s2b n GLY 171 N -0.78 2.34 3.94 0.44 0.00 -1.26 -5.03 105.19 104.84 1s2b n GLY 171 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1s2b n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s2b s GLU 172 N -0.33 3.46 0.34 1.61 0.41 -0.12 -5.05 118.70 119.03 1s2b s GLU 172 Ca 0.00 -0.54 -0.26 0.00 -0.41 0.00 0.00 54.97 53.77 1s2b s GLU 172 Cb 0.00 -2.92 -0.10 0.00 -1.78 0.00 0.00 34.13 29.33 1s2b s GLU 172 CO 0.00 0.48 0.97 -1.12 -0.49 0.00 0.00 175.26 175.10 1s2b s SER 173 N -3.27 7.19 -0.09 -0.19 0.01 -1.26 -1.00 113.70 115.09 1s2b s SER 173 Ca 0.36 1.89 0.02 0.00 1.31 0.00 0.00 55.95 59.53 1s2b s SER 173 Cb -0.11 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.55 1s2b s SER 173 CO 0.29 -0.18 -0.15 -0.69 0.41 0.00 0.00 173.24 172.92 1s2b s VAL 174 N -1.63 1.45 0.69 3.43 1.01 -0.30 -4.91 120.40 120.14 1s2b s VAL 174 Ca 0.52 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1s2b s VAL 174 Cb -0.19 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1s2b s VAL 174 CO 0.25 0.43 1.08 -0.94 0.00 0.00 0.00 175.10 175.92 1s2b s SER 175 N 0.78 5.60 0.00 3.32 1.04 -1.26 -4.23 113.70 118.95 1s2b s SER 175 Ca -0.11 1.19 0.16 0.00 0.48 0.00 0.00 55.95 57.67 1s2b s SER 175 Cb -0.16 -2.04 0.52 0.00 0.10 0.00 0.00 66.02 64.45 1s2b s SER 175 CO 0.02 -1.25 1.40 0.18 0.98 0.00 0.00 173.24 174.58 1s2b n LEU 176 N -2.96 2.01 -0.22 2.42 4.32 -1.26 -4.40 117.00 116.91 1s2b n LEU 176 Ca 0.07 -0.93 0.02 0.00 -0.02 0.00 0.00 56.01 55.15 1s2b n LEU 176 Cb 0.57 -0.20 0.13 0.00 -1.62 0.00 0.00 43.42 42.30 1s2b n LEU 176 CO 0.58 0.47 0.93 0.44 -1.22 0.00 0.00 177.39 178.59 1s2b h ASP 177 N 2.39 0.04 -0.65 -1.43 3.32 -1.93 -2.24 116.42 115.93 1s2b h ASP 177 Ca 0.00 0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1s2b h ASP 177 Cb 0.54 0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 1s2b h ASP 177 CO 0.00 0.01 0.16 -0.67 -1.72 0.00 0.00 179.24 177.02 1s2b n ASP 178 N -5.12 5.03 -4.79 6.45 2.03 -1.26 -4.98 116.55 113.91 1s2b n ASP 178 Ca 0.11 -3.05 -0.36 0.00 0.52 0.00 0.00 54.79 52.01 1s2b n ASP 178 Cb 0.36 -0.72 -0.05 0.00 -0.72 0.00 0.00 41.12 40.00 1s2b n ASP 178 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s2b s ALA 179 N -2.79 3.07 0.40 -1.67 0.00 -0.84 -4.84 121.76 115.09 1s2b s ALA 179 Ca 0.52 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 1s2b s ALA 179 Cb 0.41 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 1s2b s ALA 179 CO 0.14 -0.12 0.86 -0.65 0.00 0.00 0.00 175.76 175.99 1s2b s GLN 180 N -2.62 4.07 -0.04 0.00 -0.21 0.24 -4.82 119.66 116.29 1s2b s GLN 180 Ca 0.58 0.88 0.06 0.00 0.02 0.00 0.00 55.36 56.90 1s2b s GLN 180 Cb -0.19 -2.28 -0.02 0.00 1.00 0.00 0.00 33.01 31.51 1s2b s GLN 180 CO 0.24 0.01 -0.20 0.42 -2.12 0.00 0.00 175.29 173.64 1s2b s ILE 181 N -2.18 2.57 0.16 1.08 1.01 -1.26 -0.87 121.20 121.71 1s2b s ILE 181 Ca 0.58 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1s2b s ILE 181 Cb -0.10 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1s2b s ILE 181 CO 0.18 0.59 -0.06 0.28 0.00 0.00 0.00 174.94 175.93 1s2b s THR 182 N -0.66 1.02 0.03 2.92 -1.32 -0.32 -4.97 115.64 112.34 1s2b s THR 182 Ca 0.10 -2.03 0.02 0.00 -1.21 0.00 0.00 61.69 58.57 1s2b s THR 182 Cb -0.10 -1.98 -0.02 0.00 -1.51 0.00 0.00 72.50 68.89 1s2b s THR 182 CO -0.00 -0.63 -0.07 -1.10 -2.21 0.00 0.00 174.62 170.61 1s2b s GLN 183 N -3.81 0.50 0.13 7.08 -1.52 -1.18 -0.95 119.66 119.91 1s2b s GLN 183 Ca 0.20 -0.58 -0.30 0.00 -1.95 0.00 0.00 55.36 52.72 1s2b s GLN 183 Cb 0.04 -0.33 -0.07 0.00 -0.22 0.00 0.00 33.01 32.43 1s2b s GLN 183 CO 0.02 0.07 1.24 0.08 -0.25 0.00 0.00 175.29 176.45 1s2b s VAL 184 N -0.99 3.68 -0.11 1.09 1.01 -1.17 -4.61 120.40 119.30 1s2b s VAL 184 Ca -0.06 1.28 -0.00 0.00 0.00 0.00 0.00 61.98 63.20 1s2b s VAL 184 Cb -0.08 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1s2b s VAL 184 CO 0.00 0.15 -0.08 -0.63 0.00 0.00 0.00 175.10 174.53 1s2b s ILE 185 N 0.59 1.04 -0.04 2.22 1.01 0.30 -0.85 121.20 125.47 1s2b s ILE 185 Ca 0.57 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.95 1s2b s ILE 185 Cb -0.32 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 1s2b s ILE 185 CO 0.33 0.37 -0.16 -0.63 0.00 0.00 0.00 174.94 174.85 1s2b s ILE 186 N 1.56 1.31 -1.45 2.92 1.01 -0.52 -0.60 121.20 125.43 1s2b s ILE 186 Ca 0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1s2b s ILE 186 Cb -0.13 -1.13 0.03 0.00 0.01 0.00 0.00 42.46 41.24 1s2b s ILE 186 CO -0.07 0.38 0.51 0.59 0.00 0.00 0.00 174.94 176.35 1s2b n ASN 187 N 3.17 -0.98 -3.45 3.58 3.02 0.01 -1.06 115.26 119.55 1s2b n ASN 187 Ca -0.18 -0.99 -0.25 0.00 -0.03 0.00 0.00 54.58 53.13 1s2b n ASN 187 Cb 0.53 -3.08 0.03 0.00 -0.61 0.00 0.00 39.78 36.65 1s2b n ASN 187 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1s2b n ASN 188 N -2.93 -5.12 -3.79 6.41 5.15 -1.26 -4.98 115.26 108.73 1s2b n ASN 188 Ca -0.24 -0.49 -0.14 0.00 -0.60 0.00 0.00 54.58 53.11 1s2b n ASN 188 Cb 0.65 -4.13 -0.15 0.00 -0.53 0.00 0.00 39.78 35.63 1s2b n ASN 188 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1s2b s GLN 189 N -6.14 0.04 0.15 1.20 0.74 -0.22 -5.12 119.66 110.31 1s2b s GLN 189 Ca 0.47 0.22 -0.31 0.00 0.05 0.00 0.00 55.36 55.79 1s2b s GLN 189 Cb -0.23 -0.14 -0.09 0.00 1.10 0.00 0.00 33.01 33.65 1s2b s GLN 189 CO 0.59 -0.12 1.54 -0.51 -0.55 0.00 0.00 175.29 176.24 1s2b s ASP 190 N 0.79 6.63 0.00 6.67 1.01 -1.26 -1.44 116.67 129.08 1s2b s ASP 190 Ca -0.06 2.55 0.11 0.00 0.71 0.00 0.00 52.55 55.85 1s2b s ASP 190 Cb -0.09 -2.59 0.17 0.00 1.01 0.00 0.00 42.92 41.42 1s2b s ASP 190 CO -0.03 -0.80 1.00 1.33 0.21 0.00 0.00 175.17 176.89 1s2b n VAL 191 N 4.03 0.37 -4.03 -1.27 0.24 -0.03 -4.76 118.33 112.89 1s2b n VAL 191 Ca 0.14 -0.69 -0.08 0.00 -2.04 0.00 0.00 64.34 61.67 1s2b n VAL 191 Cb 0.39 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 33.62 1s2b n VAL 191 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1s2b s THR 192 N -0.95 0.17 -0.44 3.34 -4.23 -1.24 -0.46 115.64 111.83 1s2b s THR 192 Ca 0.17 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1s2b s THR 192 Cb 0.10 -0.94 0.14 0.00 1.34 0.00 0.00 72.50 73.14 1s2b s THR 192 CO 0.15 -0.76 0.26 -0.62 -0.54 0.00 0.00 174.62 173.11 1s2b s ASP 193 N -2.24 3.43 -0.11 3.99 3.68 0.65 -4.72 116.67 121.34 1s2b s ASP 193 Ca -0.04 -2.67 -0.13 0.00 2.13 0.00 0.00 52.55 51.85 1s2b s ASP 193 Cb -0.00 -0.92 -0.05 0.00 -1.45 0.00 0.00 42.92 40.50 1s2b s ASP 193 CO -0.06 -0.25 0.30 0.00 0.13 0.00 0.00 175.17 175.29 1s2b s SER 195 N -0.18 0.36 0.22 0.00 1.04 0.31 -4.89 113.70 110.56 1s2b s SER 195 Ca 0.18 -0.98 0.09 0.00 0.48 0.00 0.00 55.95 55.73 1s2b s SER 195 Cb -0.14 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 1s2b s SER 195 CO 0.06 -0.67 -0.04 -0.69 0.98 0.00 0.00 173.24 172.89 1s2b s VAL 196 N -3.94 3.39 -0.30 5.02 1.01 -1.26 -1.21 120.40 123.11 1s2b s VAL 196 Ca 0.11 -1.75 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 1s2b s VAL 196 Cb 0.07 -2.75 0.18 0.00 0.00 0.00 0.00 36.38 33.88 1s2b s VAL 196 CO -0.07 -0.24 1.19 -0.94 0.00 0.00 0.00 175.10 175.04 1s2b s SER 197 N -3.26 -0.11 1.26 3.32 1.04 -0.82 -5.01 113.70 110.13 1s2b s SER 197 Ca 0.28 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1s2b s SER 197 Cb -0.08 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.12 1s2b s SER 197 CO 0.18 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1s2b n GLY 198 N 5.26 1.92 0.34 7.32 0.00 -1.26 -2.29 105.19 116.49 1s2b n GLY 198 Ca 0.01 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1s2b n GLY 198 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s2b n THR 199 N 0.00 2.05 -5.25 2.61 -2.24 -1.26 -4.49 114.28 105.70 1s2b n THR 199 Ca 0.00 -2.69 -0.32 0.00 -2.27 0.00 0.00 64.05 58.78 1s2b n THR 199 Cb 0.00 -0.24 -0.16 0.00 -2.10 0.00 0.00 70.33 67.82 1s2b n THR 199 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1s2b s THR 200 N -3.04 2.08 -0.28 4.28 2.01 -0.97 -0.64 115.64 119.09 1s2b s THR 200 Ca 0.35 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1s2b s THR 200 Cb 0.32 -1.75 0.07 0.00 0.01 0.00 0.00 72.50 71.15 1s2b s THR 200 CO -0.01 0.57 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 1s2b s VAL 201 N -0.13 2.15 -0.21 3.82 1.01 -0.19 -1.94 120.40 124.91 1s2b s VAL 201 Ca -0.04 -1.77 -0.05 0.00 0.00 0.00 0.00 61.98 60.11 1s2b s VAL 201 Cb -0.14 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1s2b s VAL 201 CO 0.04 -0.17 0.01 -0.55 0.00 0.00 0.00 175.10 174.43 1s2b s SER 202 N 1.08 4.82 -0.23 3.32 0.15 -0.35 -0.08 113.70 122.41 1s2b s SER 202 Ca -0.04 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.40 1s2b s SER 202 Cb -0.20 -1.83 0.05 0.00 -1.71 0.00 0.00 66.02 62.33 1s2b s SER 202 CO -0.06 0.04 -0.14 0.00 1.20 0.00 0.00 173.24 174.28 1s2b s SER 204 N 1.18 6.54 0.40 0.00 0.01 -0.55 -1.21 113.70 120.06 1s2b s SER 204 Ca -0.04 0.63 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 1s2b s SER 204 Cb -0.18 -2.13 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 1s2b s SER 204 CO -0.08 0.34 1.01 -0.47 0.41 0.00 0.00 173.24 174.45 1s2b s TYR 205 N -1.13 3.33 0.00 2.43 6.14 -1.26 -0.25 117.35 126.61 1s2b s TYR 205 Ca 0.21 1.66 0.00 0.00 0.64 0.00 0.00 57.07 59.58 1s2b s TYR 205 Cb -0.14 -3.04 0.00 0.00 0.42 0.00 0.00 41.96 39.20 1s2b s TYR 205 CO 0.10 -0.40 0.29 0.28 0.64 0.00 0.00 175.55 176.46