#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd n SER 2 N 0.00 -6.58 -3.53 1.61 7.64 -1.26 -5.01 113.62 106.50 2tbd n SER 2 Ca 0.00 -0.29 -0.14 0.00 1.01 0.00 0.00 58.87 59.45 2tbd n SER 2 Cb 0.00 -3.69 -0.05 0.00 -1.01 0.00 0.00 64.21 59.47 2tbd n SER 2 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2tbd s LYS 3 N -3.53 1.10 0.21 1.43 -2.85 -1.26 -5.12 119.74 109.72 2tbd s LYS 3 Ca 0.08 -0.24 -0.29 0.00 -1.00 0.00 0.00 55.97 54.52 2tbd s LYS 3 Cb -0.01 0.51 -0.16 0.00 -2.06 0.00 0.00 37.83 36.10 2tbd s LYS 3 CO 0.82 -0.42 0.73 1.55 0.10 0.00 0.00 175.35 178.13 2tbd n VAL 4 N 0.25 1.79 -3.19 1.79 3.14 -1.26 -4.85 118.33 116.00 2tbd n VAL 4 Ca -0.18 -0.45 -0.46 0.00 -2.96 0.00 0.00 64.34 60.30 2tbd n VAL 4 Cb 0.61 -0.32 -0.03 0.00 -1.06 0.00 0.00 33.84 33.04 2tbd n VAL 4 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2tbd s GLU 5 N -1.04 3.38 0.47 1.45 2.02 -1.26 -5.03 118.70 118.69 2tbd s GLU 5 Ca 0.65 -1.93 -0.24 0.00 0.02 0.00 0.00 54.97 53.46 2tbd s GLU 5 Cb -0.89 -4.47 -0.07 0.00 0.10 0.00 0.00 34.13 28.80 2tbd s GLU 5 CO 0.57 -1.46 1.36 -0.51 0.02 0.00 0.00 175.26 175.24 2tbd s ASP 6 N 3.02 5.77 -0.26 -0.19 1.11 -1.26 -4.93 116.67 119.93 2tbd s ASP 6 Ca 0.17 2.78 -0.29 0.00 0.18 0.00 0.00 52.55 55.39 2tbd s ASP 6 Cb -0.15 -2.64 0.01 0.00 1.07 0.00 0.00 42.92 41.21 2tbd s ASP 6 CO -0.04 -1.23 1.11 -2.16 1.18 0.00 0.00 175.17 174.03 2tbd s PRO 7 N -2.58 4.15 0.00 8.23 0.04 -1.26 -4.90 135.00 138.69 2tbd s PRO 7 Ca 0.64 1.29 0.26 0.00 0.04 0.00 0.00 61.00 63.22 2tbd s PRO 7 Cb -0.40 -3.72 1.53 0.00 0.04 0.00 0.00 34.50 31.95 2tbd s PRO 7 CO 0.50 -0.79 1.98 1.63 0.04 0.00 0.00 177.00 180.37 2tbd n LYS 8 N 6.66 0.98 0.00 4.56 4.76 -1.26 -4.83 118.16 129.03 2tbd n LYS 8 Ca 0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2tbd n LYS 8 Cb 0.46 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 2tbd n LYS 8 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2tbd n ASP 9 N -0.91 0.00 -4.10 4.39 2.03 -1.26 -5.01 116.55 111.69 2tbd n ASP 9 Ca 0.19 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.14 2tbd n ASP 9 Cb 0.09 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.56 2tbd n ASP 9 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2tbd n PHE 10 N -0.17 -2.53 -2.06 -0.67 3.72 -1.26 -4.89 117.46 109.59 2tbd n PHE 10 Ca 0.00 0.31 -0.32 0.00 -0.05 0.00 0.00 57.45 57.39 2tbd n PHE 10 Cb 0.00 -1.48 0.01 0.00 -0.94 0.00 0.00 39.48 37.07 2tbd n PHE 10 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2tbd s PRO 11 N -2.45 3.43 0.43 -1.08 0.04 -1.26 -4.82 135.00 129.29 2tbd s PRO 11 Ca 0.43 1.09 0.13 0.00 0.04 0.00 0.00 61.00 62.69 2tbd s PRO 11 Cb -0.06 -2.05 0.92 0.00 0.04 0.00 0.00 34.50 33.35 2tbd s PRO 11 CO 0.71 -0.71 1.96 0.77 0.04 0.00 0.00 177.00 179.78 2tbd h SER 12 N 0.37 0.07 0.00 6.66 0.02 -1.98 0.56 113.55 119.25 2tbd h SER 12 Ca -0.46 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2tbd h SER 12 Cb 1.21 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2tbd h SER 12 CO 0.58 0.25 0.02 1.21 -1.14 0.00 0.00 176.83 177.76 2tbd n GLU 13 N -4.30 0.13 0.00 3.45 2.13 -1.26 -1.91 120.64 118.88 2tbd n GLU 13 Ca -0.02 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.43 2tbd n GLU 13 Cb 0.26 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.01 2tbd n GLU 13 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2tbd n LEU 14 N -2.23 0.32 0.00 4.31 4.77 -0.60 -4.69 117.00 118.89 2tbd n LEU 14 Ca -0.01 -0.43 0.05 0.00 -0.03 0.00 0.00 56.01 55.58 2tbd n LEU 14 Cb 0.06 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.35 2tbd n LEU 14 CO 0.09 0.08 0.64 0.18 -1.33 0.00 0.00 177.39 177.05 2tbd n LEU 15 N -0.22 0.00 0.00 2.23 4.77 0.09 -3.50 117.00 120.37 2tbd n LEU 15 Ca 0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2tbd n LEU 15 Cb 0.07 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2tbd n LEU 15 CO 0.00 -0.32 0.45 -1.20 -1.33 0.00 0.00 177.39 174.99 2tbd n SER 16 N -1.47 0.00 -3.59 -1.43 7.64 -1.26 -3.51 113.62 110.01 2tbd n SER 16 Ca 0.03 0.91 -0.41 0.00 1.01 0.00 0.00 58.87 60.41 2tbd n SER 16 Cb 0.10 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2tbd n SER 16 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2tbd n PHE 17 N -1.76 2.69 -4.18 1.43 1.16 -1.23 -4.89 117.46 110.68 2tbd n PHE 17 Ca 0.00 -2.83 -0.24 0.00 -1.87 0.00 0.00 57.45 52.51 2tbd n PHE 17 Cb 0.00 -1.92 -0.17 0.00 -1.61 0.00 0.00 39.48 35.78 2tbd n PHE 17 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2tbd s LEU 18 N -1.31 1.31 -0.25 5.98 1.43 -1.23 -4.50 118.68 120.10 2tbd s LEU 18 Ca 0.50 -0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 2tbd s LEU 18 Cb 0.16 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.69 2tbd s LEU 18 CO -0.06 -0.06 1.03 -0.44 0.23 0.00 0.00 176.35 177.04 2tbd s SER 19 N 1.19 7.03 -0.44 2.29 0.01 -1.24 -4.90 113.70 117.64 2tbd s SER 19 Ca -0.06 1.27 0.03 0.00 1.31 0.00 0.00 55.95 58.50 2tbd s SER 19 Cb -0.14 -2.53 0.59 0.00 0.21 0.00 0.00 66.02 64.15 2tbd s SER 19 CO -0.02 -0.70 1.87 1.41 0.41 0.00 0.00 173.24 176.21 2tbd n HIS 20 N 6.41 2.85 -3.21 2.43 -0.00 -1.26 -4.41 115.22 118.04 2tbd n HIS 20 Ca 0.11 -1.90 -0.43 0.00 -0.00 0.00 0.00 57.72 55.50 2tbd n HIS 20 Cb 0.46 -0.96 -0.07 0.00 -0.00 0.00 0.00 29.99 29.42 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd s ALA 21 N -3.10 3.39 -0.18 -1.41 0.00 -1.26 -4.89 121.76 114.31 2tbd s ALA 21 Ca 0.53 -1.53 0.18 0.00 0.00 0.00 0.00 51.96 51.14 2tbd s ALA 21 Cb 0.45 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 20.35 2tbd s ALA 21 CO 0.09 -1.79 1.17 0.28 0.00 0.00 0.00 175.76 175.50 2tbd h VAL 22 N 5.82 0.51 -1.71 0.00 2.07 -1.94 -3.38 116.25 117.61 2tbd h VAL 22 Ca -0.27 -1.82 -0.46 0.00 0.82 0.00 0.00 66.70 64.97 2tbd h VAL 22 Cb 1.10 2.09 -0.40 0.00 -1.52 0.00 0.00 31.29 32.56 2tbd h VAL 22 CO 0.88 0.29 -1.13 0.49 0.02 0.00 0.00 177.57 178.12 2tbd n PHE 23 N -3.00 0.96 -0.83 1.57 3.01 -1.26 -3.36 117.46 114.56 2tbd n PHE 23 Ca -0.02 -3.50 -0.29 0.00 1.01 0.00 0.00 57.45 54.65 2tbd n PHE 23 Cb 0.72 -0.40 0.23 0.00 -0.01 0.00 0.00 39.48 40.02 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2tbd s SER 24 N -2.78 1.37 0.00 4.37 0.01 -1.26 -4.92 113.70 110.49 2tbd s SER 24 Ca 0.37 1.23 0.20 0.00 1.31 0.00 0.00 55.95 59.05 2tbd s SER 24 Cb 0.38 -1.90 0.56 0.00 0.21 0.00 0.00 66.02 65.27 2tbd s SER 24 CO -0.05 -3.92 1.46 0.59 0.41 0.00 0.00 173.24 171.73 2tbd n ASN 25 N -4.70 3.37 -4.54 2.44 3.02 -1.26 -4.93 115.26 108.67 2tbd n ASN 25 Ca 0.05 -2.00 -0.30 0.00 -0.03 0.00 0.00 54.58 52.30 2tbd n ASN 25 Cb 0.56 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.24 2tbd n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2tbd s ARG 26 N -1.16 2.09 0.01 3.52 1.70 -1.26 -5.15 118.95 118.70 2tbd s ARG 26 Ca 0.42 -2.31 0.03 0.00 -0.47 0.00 0.00 55.73 53.41 2tbd s ARG 26 Cb 0.22 -1.22 -0.03 0.00 -0.57 0.00 0.00 34.95 33.34 2tbd s ARG 26 CO 0.29 -0.38 -0.06 0.95 -1.08 0.00 0.00 175.30 175.02 2tbd s THR 27 N -2.98 3.68 0.17 4.99 -4.23 -1.26 -4.69 115.64 111.32 2tbd s THR 27 Ca 0.14 -0.80 0.10 0.00 -1.18 0.00 0.00 61.69 59.94 2tbd s THR 27 Cb 0.02 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 2tbd s THR 27 CO 0.08 0.36 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.55 2tbd s LEU 28 N -1.51 2.42 -0.10 4.79 1.02 -0.63 -4.83 118.68 119.84 2tbd s LEU 28 Ca 0.18 -0.84 0.14 0.00 0.02 0.00 0.00 54.13 53.63 2tbd s LEU 28 Cb -0.11 -0.98 0.22 0.00 0.02 0.00 0.00 46.19 45.34 2tbd s LEU 28 CO 0.09 0.04 1.11 0.00 0.02 0.00 0.00 176.35 177.61 2tbd n ALA 29 N 0.38 2.23 -3.74 4.21 0.00 -1.26 -1.54 120.51 120.79 2tbd n ALA 29 Ca -0.14 -2.23 -0.13 0.00 0.00 0.00 0.00 53.44 50.93 2tbd n ALA 29 Cb 0.56 -0.41 -0.14 0.00 0.00 0.00 0.00 19.45 19.46 2tbd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tbd s PHE 31 N 1.26 0.58 -0.29 0.00 0.40 -1.07 -2.04 117.98 116.82 2tbd s PHE 31 Ca -0.09 -0.93 0.02 0.00 -0.60 0.00 0.00 56.93 55.33 2tbd s PHE 31 Cb -0.11 -0.18 0.08 0.00 0.51 0.00 0.00 43.02 43.32 2tbd s PHE 31 CO -0.07 -0.70 0.02 0.00 0.70 0.00 0.00 175.22 175.17 2tbd s ALA 32 N -4.01 2.19 -1.15 5.36 0.00 -0.70 -2.60 121.76 120.85 2tbd s ALA 32 Ca 0.22 -1.84 -0.21 0.00 0.00 0.00 0.00 51.96 50.13 2tbd s ALA 32 Cb 0.04 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.55 2tbd s ALA 32 CO 0.03 -1.48 1.61 0.42 0.00 0.00 0.00 175.76 176.34 2tbd s ILE 33 N 1.27 3.99 -0.59 0.00 1.01 -0.11 -2.55 121.20 124.22 2tbd s ILE 33 Ca 0.04 -1.28 -0.28 0.00 0.00 0.00 0.00 60.65 59.13 2tbd s ILE 33 Cb -0.19 -5.08 0.03 0.00 0.01 0.00 0.00 42.46 37.23 2tbd s ILE 33 CO -0.12 -1.92 1.26 -0.47 0.00 0.00 0.00 174.94 173.69 2tbd s TYR 34 N 4.97 2.49 0.14 3.97 5.04 -0.44 -1.21 117.35 132.31 2tbd s TYR 34 Ca 0.51 0.38 0.03 0.00 -2.44 0.00 0.00 57.07 55.55 2tbd s TYR 34 Cb 0.02 -4.50 -0.01 0.00 0.35 0.00 0.00 41.96 37.82 2tbd s TYR 34 CO -0.01 -1.74 0.09 0.25 -1.34 0.00 0.00 175.55 172.80 2tbd n THR 35 N 6.69 0.00 -1.80 4.34 -2.24 -0.84 0.13 114.28 120.56 2tbd n THR 35 Ca 0.09 -0.94 -0.29 0.00 -2.27 0.00 0.00 64.05 60.63 2tbd n THR 35 Cb 0.49 0.43 0.09 0.00 -2.10 0.00 0.00 70.33 69.24 2tbd n THR 35 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2tbd s THR 36 N -2.42 2.53 0.12 4.28 -4.23 -1.26 -1.60 115.64 113.06 2tbd s THR 36 Ca 0.13 0.17 -0.20 0.00 -1.18 0.00 0.00 61.69 60.61 2tbd s THR 36 Cb 0.01 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 2tbd s THR 36 CO 0.09 -0.22 1.71 0.07 -0.54 0.00 0.00 174.62 175.73 2tbd h LYS 37 N -1.02 -0.00 0.00 3.99 2.10 -1.85 -0.37 116.57 119.41 2tbd h LYS 37 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2tbd h LYS 37 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2tbd h LYS 37 CO 0.64 -0.00 0.02 1.05 -2.00 0.00 0.00 179.45 179.16 2tbd h GLU 38 N -0.00 0.00 0.00 0.07 4.11 -1.97 -2.02 114.58 114.77 2tbd h GLU 38 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 2tbd h GLU 38 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2tbd h GLU 38 CO -0.18 0.00 -0.34 1.63 0.07 0.00 0.00 179.01 180.19 2tbd n LYS 39 N -2.54 0.25 -0.07 1.06 5.02 -0.25 -4.24 118.16 117.39 2tbd n LYS 39 Ca -0.02 0.32 0.26 0.00 -2.02 0.00 0.00 58.31 56.85 2tbd n LYS 39 Cb 0.07 -1.18 0.69 0.00 -0.02 0.00 0.00 35.03 34.58 2tbd n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2tbd h ALA 40 N -1.47 2.54 -0.22 7.82 0.00 -1.28 -0.63 119.26 126.02 2tbd h ALA 40 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2tbd h ALA 40 Cb 0.34 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2tbd h ALA 40 CO 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 179.25 178.08 2tbd h ALA 41 N 1.31 0.06 -0.00 0.00 0.00 -1.54 -1.41 119.26 117.68 2tbd h ALA 41 Ca 0.34 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.16 2tbd h ALA 41 Cb 1.71 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 2tbd h ALA 41 CO -0.00 -0.54 -0.81 1.37 0.00 0.00 0.00 179.25 179.27 2tbd h LEU 42 N -0.10 0.13 -2.55 0.00 8.10 -1.31 -2.98 115.31 116.59 2tbd h LEU 42 Ca 0.12 -0.10 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 2tbd h LEU 42 Cb 0.28 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.46 2tbd h LEU 42 CO -0.28 0.88 -0.02 -0.07 -4.11 0.00 0.00 178.44 174.85 2tbd h LEU 43 N 0.06 0.00 0.35 0.17 -0.00 -1.03 -0.93 115.31 113.93 2tbd h LEU 43 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 2tbd h LEU 43 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 2tbd h LEU 43 CO 0.11 0.02 -0.17 0.22 -0.00 0.00 0.00 178.44 178.62 2tbd h TYR 44 N 0.00 -0.43 0.00 1.13 5.03 -1.12 -0.71 116.97 120.86 2tbd h TYR 44 Ca -0.00 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2tbd h TYR 44 Cb 0.06 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.48 2tbd h TYR 44 CO 0.00 -0.27 -0.06 0.87 -1.32 0.00 0.00 178.16 177.38 2tbd h LYS 45 N -0.67 0.00 0.00 1.82 1.57 -1.65 -2.23 116.57 115.42 2tbd h LYS 45 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2tbd h LYS 45 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2tbd h LYS 45 CO 0.08 0.06 0.00 1.17 -0.57 0.00 0.00 179.45 180.19 2tbd n LYS 46 N -3.31 0.00 -0.55 3.15 3.00 -0.37 -3.94 118.16 116.15 2tbd n LYS 46 Ca -0.01 0.12 0.46 0.00 -0.00 0.00 0.00 58.31 58.88 2tbd n LYS 46 Cb 0.24 -0.60 0.78 0.00 0.00 0.00 0.00 35.03 35.44 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2tbd h ILE 47 N 0.00 0.12 0.00 3.15 1.08 -1.24 -2.43 117.51 118.19 2tbd h ILE 47 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2tbd h ILE 47 Cb 0.00 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 33.88 2tbd h ILE 47 CO 0.00 0.00 0.00 0.80 -0.69 0.00 0.00 178.15 178.26 2tbd n MET 48 N -3.94 0.00 -0.01 2.37 1.56 -0.84 -0.97 117.12 115.29 2tbd n MET 48 Ca 0.37 0.42 0.02 0.00 -0.27 0.00 0.00 57.70 58.25 2tbd n MET 48 Cb 1.75 -0.94 0.13 0.00 2.15 0.00 0.00 33.22 36.31 2tbd n MET 48 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2tbd n GLU 49 N -0.86 1.06 -0.06 2.12 1.02 -1.07 -2.76 120.64 120.09 2tbd n GLU 49 Ca 0.00 -0.09 -0.05 0.00 -0.02 0.00 0.00 57.16 57.00 2tbd n GLU 49 Cb 0.00 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2tbd h LYS 50 N 0.16 0.00 -0.17 3.49 3.64 -0.57 -3.40 116.57 119.71 2tbd h LYS 50 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2tbd h LYS 50 Cb 0.04 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.77 2tbd h LYS 50 CO 0.00 0.22 -0.48 0.66 -2.27 0.00 0.00 179.45 177.58 2tbd n TYR 51 N -4.70 0.60 -4.13 1.91 4.02 -0.67 -4.94 117.16 109.25 2tbd n TYR 51 Ca -0.05 -1.64 -0.29 0.00 -0.01 0.00 0.00 57.90 55.91 2tbd n TYR 51 Cb 0.18 -0.31 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2tbd n SER 52 N -1.06 0.05 0.00 7.72 7.64 -1.11 -3.61 113.62 123.25 2tbd n SER 52 Ca 0.25 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2tbd n SER 52 Cb 0.78 -2.30 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 2tbd n SER 52 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2tbd n VAL 53 N -4.51 0.00 -0.68 0.44 0.24 -1.12 -4.17 118.33 108.53 2tbd n VAL 53 Ca -0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2tbd n VAL 53 Cb 0.69 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 2tbd n VAL 53 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2tbd n THR 54 N -3.40 0.00 0.00 3.34 -1.04 -1.26 -1.28 114.28 110.63 2tbd n THR 54 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2tbd n THR 54 Cb 0.00 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 2tbd n THR 54 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2tbd n PHE 55 N -2.00 0.00 -3.94 -1.42 7.35 -1.26 -4.87 117.46 111.32 2tbd n PHE 55 Ca 0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.41 2tbd n PHE 55 Cb 0.00 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.66 2tbd n PHE 55 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 2tbd s ILE 56 N 0.00 1.22 -0.10 -2.13 1.10 -1.25 -2.56 121.20 117.48 2tbd s ILE 56 Ca 0.00 -0.48 0.02 0.00 -0.51 0.00 0.00 60.65 59.68 2tbd s ILE 56 Cb 0.00 -1.24 0.01 0.00 0.15 0.00 0.00 42.46 41.38 2tbd s ILE 56 CO 0.00 0.34 -0.15 -0.55 -2.11 0.00 0.00 174.94 172.47 2tbd s SER 57 N 1.62 2.32 -0.45 4.50 0.15 -0.57 -1.78 113.70 119.48 2tbd s SER 57 Ca 0.04 -0.40 -0.20 0.00 0.70 0.00 0.00 55.95 56.09 2tbd s SER 57 Cb -0.13 -1.04 0.03 0.00 -1.71 0.00 0.00 66.02 63.17 2tbd s SER 57 CO -0.09 0.03 0.62 -0.60 1.20 0.00 0.00 173.24 174.40 2tbd s ARG 58 N 0.87 3.22 0.41 5.44 3.52 -0.44 -1.74 118.95 130.24 2tbd s ARG 58 Ca -0.09 -0.52 0.08 0.00 -0.13 0.00 0.00 55.73 55.06 2tbd s ARG 58 Cb -0.15 -3.98 -0.01 0.00 -1.56 0.00 0.00 34.95 29.25 2tbd s ARG 58 CO 0.01 -1.05 0.46 -1.01 -0.81 0.00 0.00 175.30 172.90 2tbd s HIS 59 N 2.73 2.78 -0.14 5.12 3.76 -1.08 -0.86 115.29 127.60 2tbd s HIS 59 Ca 0.20 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 2tbd s HIS 59 Cb -0.15 -2.24 0.02 0.00 1.11 0.00 0.00 32.58 31.31 2tbd s HIS 59 CO 0.17 -0.24 -0.14 -0.80 -0.85 0.00 0.00 174.74 172.89 2tbd s ASN 60 N -4.22 2.59 -0.24 1.40 0.02 0.17 -2.17 114.94 112.48 2tbd s ASN 60 Ca 0.51 -0.46 -0.15 0.00 -1.02 0.00 0.00 52.86 51.74 2tbd s ASN 60 Cb -0.07 -1.13 -0.10 0.00 0.02 0.00 0.00 41.25 39.98 2tbd s ASN 60 CO 0.30 -0.05 -0.35 -1.54 0.02 0.00 0.00 177.10 175.48 2tbd n SER 61 N 4.71 1.94 0.00 -1.22 3.41 -1.14 -1.50 113.62 119.82 2tbd n SER 61 Ca -0.17 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2tbd n SER 61 Cb 0.50 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2tbd n TYR 62 N -4.32 -0.38 -0.01 7.33 4.02 -1.26 -4.81 117.16 117.74 2tbd n TYR 62 Ca -0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 2tbd n TYR 62 Cb 0.74 0.17 0.01 0.00 -0.02 0.00 0.00 39.34 40.24 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2tbd n ASN 63 N -1.50 2.00 -4.03 7.72 3.02 -1.26 -5.04 115.26 116.17 2tbd n ASN 63 Ca 0.00 -1.96 -0.11 0.00 -0.03 0.00 0.00 54.58 52.49 2tbd n ASN 63 Cb 0.00 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.09 2tbd n ASN 63 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2tbd s HIS 64 N -0.96 0.72 0.17 3.10 3.76 -1.26 -4.64 115.29 116.18 2tbd s HIS 64 Ca 0.01 -1.02 0.09 0.00 -0.15 0.00 0.00 55.06 53.99 2tbd s HIS 64 Cb 0.01 -0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.53 2tbd s HIS 64 CO 0.01 -0.86 -0.11 -0.80 -0.85 0.00 0.00 174.74 172.12 2tbd s ASN 65 N -3.09 4.18 -0.36 1.40 0.02 -0.63 -2.86 114.94 113.61 2tbd s ASN 65 Ca 0.29 -0.58 -0.08 0.00 -1.02 0.00 0.00 52.86 51.48 2tbd s ASN 65 Cb 0.02 -0.69 0.04 0.00 0.02 0.00 0.00 41.25 40.65 2tbd s ASN 65 CO 0.11 0.12 0.15 -0.63 0.02 0.00 0.00 177.10 176.86 2tbd s ILE 66 N -1.60 4.05 -0.83 0.60 1.09 -0.92 -1.99 121.20 121.59 2tbd s ILE 66 Ca 0.24 -1.07 -0.26 0.00 -1.10 0.00 0.00 60.65 58.46 2tbd s ILE 66 Cb -0.09 -3.30 0.04 0.00 -1.06 0.00 0.00 42.46 38.05 2tbd s ILE 66 CO 0.14 -0.22 1.34 -0.22 -0.10 0.00 0.00 174.94 175.88 2tbd s LEU 67 N 1.45 3.27 -0.47 2.97 2.96 -0.35 -2.63 118.68 125.88 2tbd s LEU 67 Ca -0.00 -0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 52.84 2tbd s LEU 67 Cb -0.20 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 43.96 2tbd s LEU 67 CO 0.04 -1.74 1.16 0.12 -1.32 0.00 0.00 176.35 174.61 2tbd s PHE 68 N 5.52 2.80 -0.05 5.38 5.36 -0.71 -0.93 117.98 135.34 2tbd s PHE 68 Ca 0.39 0.73 0.01 0.00 -0.96 0.00 0.00 56.93 57.10 2tbd s PHE 68 Cb -0.05 -4.40 0.02 0.00 -0.34 0.00 0.00 43.02 38.25 2tbd s PHE 68 CO 0.07 -1.30 -0.05 -0.59 -1.46 0.00 0.00 175.22 171.89 2tbd s PHE 69 N 4.49 0.84 0.75 10.12 -0.71 -1.07 -1.52 117.98 130.89 2tbd s PHE 69 Ca 0.49 -0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 56.09 2tbd s PHE 69 Cb -0.08 -0.74 0.15 0.00 -1.21 0.00 0.00 43.02 41.15 2tbd s PHE 69 CO 0.31 -0.22 1.03 -0.11 -1.34 0.00 0.00 175.22 174.89 2tbd n LEU 70 N 4.13 0.00 -3.61 -1.99 7.94 -0.41 -2.59 117.00 120.47 2tbd n LEU 70 Ca -0.23 -1.97 -0.14 0.00 -1.11 0.00 0.00 56.01 52.56 2tbd n LEU 70 Cb 0.51 -0.69 -0.07 0.00 0.53 0.00 0.00 43.42 43.70 2tbd n LEU 70 CO 0.22 -1.05 0.46 0.42 -1.11 0.00 0.00 177.39 176.33 2tbd s THR 71 N -3.16 0.00 0.00 1.96 -4.23 0.63 -3.69 115.64 107.15 2tbd s THR 71 Ca 0.66 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2tbd s THR 71 Cb -0.03 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.81 2tbd s THR 71 CO 0.45 0.00 0.07 -0.81 -0.54 0.00 0.00 174.62 173.78 2tbd n PRO 72 N 2.33 0.00 -0.63 3.99 -0.04 -1.24 -4.52 135.00 134.89 2tbd n PRO 72 Ca -0.15 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.21 2tbd n PRO 72 Cb 0.55 -0.67 0.12 0.00 -0.04 0.00 0.00 33.50 33.47 2tbd n PRO 72 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2tbd n HIS 73 N -0.84 -1.93 -4.11 0.54 1.44 -1.26 -4.87 115.22 104.19 2tbd n HIS 73 Ca 0.00 0.17 -0.33 0.00 -2.01 0.00 0.00 57.72 55.54 2tbd n HIS 73 Cb 0.00 -1.42 -0.07 0.00 0.12 0.00 0.00 29.99 28.62 2tbd n HIS 73 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2tbd s ARG 74 N -3.15 3.08 -0.07 -1.40 0.52 -1.26 -4.59 118.95 112.07 2tbd s ARG 74 Ca 0.37 -0.46 -0.09 0.00 -0.52 0.00 0.00 55.73 55.03 2tbd s ARG 74 Cb -0.05 -2.87 0.02 0.00 0.52 0.00 0.00 34.95 32.58 2tbd s ARG 74 CO 0.41 0.66 0.24 -1.01 0.02 0.00 0.00 175.30 175.61 2tbd s HIS 75 N -1.16 -0.23 0.44 -0.53 0.09 -0.59 -4.93 115.29 108.39 2tbd s HIS 75 Ca 0.22 0.53 -0.23 0.00 -0.00 0.00 0.00 55.06 55.58 2tbd s HIS 75 Cb -0.12 0.08 -0.08 0.00 -0.00 0.00 0.00 32.58 32.46 2tbd s HIS 75 CO 0.12 -0.17 1.09 0.50 -0.00 0.00 0.00 174.74 176.29 2tbd s ARG 76 N -0.15 3.93 0.47 1.40 3.52 -1.26 -1.61 118.95 125.26 2tbd s ARG 76 Ca -0.03 1.59 0.28 0.00 -0.13 0.00 0.00 55.73 57.44 2tbd s ARG 76 Cb -0.03 -2.40 1.52 0.00 -1.56 0.00 0.00 34.95 32.48 2tbd s ARG 76 CO 0.01 -0.36 1.84 0.28 -0.81 0.00 0.00 175.30 176.25 2tbd h VAL 77 N 1.94 0.00 0.05 7.11 2.07 -1.83 0.21 116.25 125.80 2tbd h VAL 77 Ca -0.49 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.77 2tbd h VAL 77 Cb 1.23 0.62 0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2tbd h VAL 77 CO 0.61 0.00 -1.09 0.77 0.02 0.00 0.00 177.57 177.88 2tbd h SER 78 N 0.00 0.74 0.71 0.57 4.64 -1.89 -0.47 113.55 117.85 2tbd h SER 78 Ca 0.00 -0.64 -0.03 0.00 -0.47 0.00 0.00 61.79 60.65 2tbd h SER 78 Cb 0.21 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2tbd h SER 78 CO 0.00 1.45 -0.34 0.00 -0.87 0.00 0.00 176.83 177.07 2tbd h ALA 79 N 0.49 -0.95 -0.99 5.18 0.00 -0.93 0.53 119.26 122.59 2tbd h ALA 79 Ca -0.13 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.64 2tbd h ALA 79 Cb 1.75 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 19.84 2tbd h ALA 79 CO 0.20 -0.90 0.63 0.82 0.00 0.00 0.00 179.25 180.01 2tbd h ILE 80 N -1.22 1.04 -0.13 0.00 1.08 -1.57 0.16 117.51 116.86 2tbd h ILE 80 Ca -0.10 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 2tbd h ILE 80 Cb 0.74 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 2tbd h ILE 80 CO 0.16 0.20 0.00 -1.13 -0.69 0.00 0.00 178.15 176.69 2tbd h ASN 81 N 1.10 0.16 -0.30 1.72 -1.24 -0.93 -1.34 115.58 114.75 2tbd h ASN 81 Ca 0.44 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.37 2tbd h ASN 81 Cb 0.27 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 2tbd h ASN 81 CO -0.19 0.20 -0.02 -1.13 -1.29 0.00 0.00 177.43 175.01 2tbd h ASN 82 N 0.18 0.62 0.00 1.15 -0.73 0.17 -0.49 115.58 116.48 2tbd h ASN 82 Ca 0.05 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.08 2tbd h ASN 82 Cb 0.13 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.56 2tbd h ASN 82 CO 0.00 0.70 0.00 0.00 -0.37 0.00 0.00 177.43 177.77 2tbd n TYR 83 N -4.24 0.00 -0.46 0.67 9.36 -0.57 -2.08 117.16 119.85 2tbd n TYR 83 Ca 0.02 0.00 0.39 0.00 3.32 0.00 0.00 57.90 61.63 2tbd n TYR 83 Cb 0.28 -0.50 0.71 0.00 -0.63 0.00 0.00 39.34 39.20 2tbd n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2tbd h ALA 84 N -2.00 3.09 -0.17 2.98 0.00 -1.49 0.65 119.26 122.33 2tbd h ALA 84 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2tbd h ALA 84 Cb 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2tbd h ALA 84 CO 0.00 -1.58 -0.20 1.96 0.00 0.00 0.00 179.25 179.42 2tbd h GLN 85 N 0.08 0.43 -0.36 0.00 1.08 -1.15 -2.47 115.11 112.71 2tbd h GLN 85 Ca 0.74 -0.24 0.10 0.00 -1.45 0.00 0.00 58.65 57.80 2tbd h GLN 85 Cb 2.65 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 30.08 2tbd h GLN 85 CO -0.16 0.82 0.56 -0.22 -0.95 0.00 0.00 178.83 178.88 2tbd h LYS 86 N 0.07 0.00 -1.64 1.46 3.64 0.89 0.26 116.57 121.25 2tbd h LYS 86 Ca 0.02 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.11 2tbd h LYS 86 Cb 0.76 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.46 2tbd h LYS 86 CO 0.05 0.00 0.34 1.28 -2.27 0.00 0.00 179.45 178.85 2tbd n LEU 87 N -3.35 6.30 -2.53 5.20 4.77 -0.93 -4.43 117.00 122.03 2tbd n LEU 87 Ca 0.07 -3.25 -0.28 0.00 -0.03 0.00 0.00 56.01 52.51 2tbd n LEU 87 Cb 0.70 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2tbd n LEU 87 CO 0.21 1.26 0.35 0.00 -1.33 0.00 0.00 177.39 177.88 2tbd n THR 89 N -0.49 1.81 0.00 0.00 -2.24 -1.26 -4.80 114.28 107.31 2tbd n THR 89 Ca 0.41 -3.12 0.00 0.00 -2.27 0.00 0.00 64.05 59.07 2tbd n THR 89 Cb 0.61 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2tbd n THR 89 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2tbd n PHE 90 N -0.66 -1.24 -1.46 4.78 -1.74 -1.26 -5.16 117.46 110.72 2tbd n PHE 90 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.12 2tbd n PHE 90 Cb 0.87 0.42 0.00 0.00 1.52 0.00 0.00 39.48 42.29 2tbd n PHE 90 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2tbd n SER 91 N -2.34 0.21 -4.82 5.98 7.64 -1.26 -5.17 113.62 113.85 2tbd n SER 91 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2tbd n SER 91 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2tbd s PHE 92 N 0.68 2.39 -0.17 1.43 -0.12 -1.26 -4.88 117.98 116.05 2tbd s PHE 92 Ca 0.00 0.02 -0.17 0.00 -0.05 0.00 0.00 56.93 56.73 2tbd s PHE 92 Cb 0.00 -3.00 0.05 0.00 -0.63 0.00 0.00 43.02 39.43 2tbd s PHE 92 CO 0.00 -1.37 0.48 -1.17 -0.05 0.00 0.00 175.22 173.11 2tbd s LEU 93 N -5.06 0.18 -0.39 -1.99 2.96 -1.26 -4.33 118.68 108.78 2tbd s LEU 93 Ca 0.62 0.91 0.10 0.00 -0.22 0.00 0.00 54.13 55.53 2tbd s LEU 93 Cb -0.08 1.66 0.31 0.00 0.50 0.00 0.00 46.19 48.57 2tbd s LEU 93 CO 0.43 -0.20 0.65 -0.38 -1.32 0.00 0.00 176.35 175.53 2tbd n ILE 94 N 2.66 -0.19 -2.77 6.68 -0.00 0.12 -4.95 119.36 120.91 2tbd n ILE 94 Ca -0.14 -4.41 -0.43 0.00 -0.00 0.00 0.00 62.75 57.78 2tbd n ILE 94 Cb 0.57 -1.05 -0.04 0.00 -0.00 0.00 0.00 39.64 39.12 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2tbd s LYS 96 N 4.31 1.09 1.04 0.00 2.20 -1.06 -4.81 119.74 122.51 2tbd s LYS 96 Ca 0.32 -0.29 -0.13 0.00 -0.36 0.00 0.00 55.97 55.51 2tbd s LYS 96 Cb -0.12 -0.99 0.17 0.00 -1.51 0.00 0.00 37.83 35.37 2tbd s LYS 96 CO 0.18 0.06 0.76 0.41 -0.36 0.00 0.00 175.35 176.40 2tbd n GLY 97 N 3.54 -1.60 3.24 5.54 0.00 -1.26 -1.72 105.19 112.93 2tbd n GLY 97 Ca -0.21 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 2tbd n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2tbd s VAL 98 N -2.45 1.49 -0.12 1.61 1.01 -0.87 -3.58 120.40 117.49 2tbd s VAL 98 Ca 0.64 -1.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 2tbd s VAL 98 Cb -0.22 -1.37 -0.26 0.00 0.00 0.00 0.00 36.38 34.54 2tbd s VAL 98 CO 0.64 -0.10 0.46 0.78 0.00 0.00 0.00 175.10 176.88 2tbd h ASN 99 N 4.22 0.32 -3.72 3.32 2.35 -1.88 -3.44 115.58 116.76 2tbd h ASN 99 Ca -0.44 -0.82 -0.64 0.00 -0.55 0.00 0.00 56.30 53.85 2tbd h ASN 99 Cb 1.18 -0.11 -0.40 0.00 0.05 0.00 0.00 38.32 39.05 2tbd h ASN 99 CO 0.40 1.65 -0.71 -0.54 -1.65 0.00 0.00 177.43 176.58 2tbd s LYS 100 N -2.47 1.43 0.03 0.81 1.02 -1.26 -4.99 119.74 114.30 2tbd s LYS 100 Ca -0.22 -1.90 -0.23 0.00 0.02 0.00 0.00 55.97 53.64 2tbd s LYS 100 Cb 0.05 -2.94 -0.13 0.00 -0.52 0.00 0.00 37.83 34.30 2tbd s LYS 100 CO 0.74 -1.00 1.30 0.93 -0.92 0.00 0.00 175.35 176.40 2tbd h GLU 101 N 7.39 -0.81 -1.05 1.68 4.39 -1.93 -2.50 114.58 121.75 2tbd h GLU 101 Ca -0.06 0.06 0.34 0.00 0.34 0.00 0.00 59.36 60.03 2tbd h GLU 101 Cb 0.98 0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 29.74 2tbd h GLU 101 CO 0.54 -0.54 0.70 0.98 -1.16 0.00 0.00 179.01 179.54 2tbd n TYR 102 N -4.34 0.33 0.03 4.33 9.36 -1.26 -0.64 117.16 124.98 2tbd n TYR 102 Ca -0.10 0.33 -0.02 0.00 3.32 0.00 0.00 57.90 61.43 2tbd n TYR 102 Cb 0.33 -0.71 -0.01 0.00 -0.63 0.00 0.00 39.34 38.32 2tbd n TYR 102 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2tbd h LEU 103 N 0.00 -0.10 -0.98 2.98 7.12 -1.79 -1.81 115.31 120.73 2tbd h LEU 103 Ca 0.60 0.00 0.32 0.00 0.13 0.00 0.00 57.88 58.94 2tbd h LEU 103 Cb 2.10 0.03 -0.17 0.00 -0.53 0.00 0.00 40.66 42.08 2tbd h LEU 103 CO -0.22 0.11 0.27 -0.03 -0.13 0.00 0.00 178.44 178.44 2tbd h MET 104 N -0.48 0.05 -0.26 1.25 4.05 -0.59 0.58 114.93 119.54 2tbd h MET 104 Ca -0.01 -0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.32 2tbd h MET 104 Cb 0.09 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2tbd h MET 104 CO 0.02 0.04 -0.19 -0.92 0.23 0.00 0.00 176.91 176.09 2tbd h TYR 105 N 0.05 0.68 0.62 1.39 5.03 -1.43 -1.49 116.97 121.83 2tbd h TYR 105 Ca 0.69 -0.19 -0.03 0.00 2.58 0.00 0.00 58.73 61.79 2tbd h TYR 105 Cb 1.60 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.73 2tbd h TYR 105 CO -0.26 0.87 -0.41 0.66 -1.32 0.00 0.00 178.16 177.70 2tbd h SER 106 N 0.30 -1.06 -0.07 -2.11 4.64 0.10 -0.16 113.55 115.19 2tbd h SER 106 Ca 0.05 0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2tbd h SER 106 Cb 0.73 0.32 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2tbd h SER 106 CO 0.05 -0.62 0.11 0.00 -0.87 0.00 0.00 176.83 175.51 2tbd h ALA 107 N -1.26 1.50 -0.06 5.18 0.00 -1.30 0.78 119.26 124.11 2tbd h ALA 107 Ca -0.08 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2tbd h ALA 107 Cb 0.79 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2tbd h ALA 107 CO 0.06 -0.15 -0.66 -0.07 0.00 0.00 0.00 179.25 178.43 2tbd h LEU 108 N 0.00 0.29 -0.03 0.00 3.38 -0.14 -2.93 115.31 115.87 2tbd h LEU 108 Ca 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2tbd h LEU 108 Cb 0.26 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2tbd h LEU 108 CO -0.00 0.86 -0.11 0.71 0.09 0.00 0.00 178.44 180.00 2tbd h THR 109 N 0.17 0.19 -3.36 0.22 1.35 0.89 -3.39 112.91 108.97 2tbd h THR 109 Ca -0.01 -1.25 -0.58 0.00 -0.55 0.00 0.00 66.41 64.01 2tbd h THR 109 Cb 1.19 2.08 -0.08 0.00 -1.73 0.00 0.00 68.15 69.61 2tbd h THR 109 CO 0.10 0.11 0.23 -0.13 -0.25 0.00 0.00 175.52 175.58 2tbd s ARG 110 N -3.17 4.27 0.99 4.72 0.52 -0.87 -4.83 118.95 120.58 2tbd s ARG 110 Ca 0.06 0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 55.91 2tbd s ARG 110 Cb 0.06 -3.56 -0.09 0.00 0.52 0.00 0.00 34.95 31.87 2tbd s ARG 110 CO 0.68 -0.24 -0.53 -0.25 0.02 0.00 0.00 175.30 174.98 2tbd n ASP 111 N 4.99 -4.49 -0.66 0.23 8.00 -1.26 -2.47 116.55 120.89 2tbd n ASP 111 Ca 0.01 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2tbd n ASP 111 Cb 0.49 -0.86 0.01 0.00 -0.02 0.00 0.00 41.12 40.75 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2tbd n PRO 112 N 1.15 1.14 -2.67 -0.24 -0.04 -1.26 -5.05 135.00 128.03 2tbd n PRO 112 Ca 0.00 -0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 2tbd n PRO 112 Cb 0.58 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2tbd n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2tbd s PHE 113 N -0.88 2.76 -0.50 0.54 0.08 -1.03 -4.87 117.98 114.08 2tbd s PHE 113 Ca 0.02 0.46 -0.22 0.00 0.12 0.00 0.00 56.93 57.31 2tbd s PHE 113 Cb 0.02 -4.33 0.04 0.00 -0.57 0.00 0.00 43.02 38.17 2tbd s PHE 113 CO 0.01 -1.36 0.76 0.45 -0.10 0.00 0.00 175.22 174.98 2tbd s SER 114 N 2.64 6.31 0.35 1.36 0.15 -0.57 -4.43 113.70 119.51 2tbd s SER 114 Ca 0.42 -0.48 -0.27 0.00 0.70 0.00 0.00 55.95 56.32 2tbd s SER 114 Cb -0.08 -2.36 -0.09 0.00 -1.71 0.00 0.00 66.02 61.77 2tbd s SER 114 CO 0.27 -0.99 1.23 -0.69 1.20 0.00 0.00 173.24 174.27 2tbd s VAL 115 N 3.21 2.96 0.00 4.45 1.01 -1.26 -0.65 120.40 130.12 2tbd s VAL 115 Ca 0.24 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2tbd s VAL 115 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2tbd s VAL 115 CO 0.18 0.17 0.00 -0.38 0.00 0.00 0.00 175.10 175.07 2tbd n ILE 116 N 0.57 0.00 -3.07 2.22 5.41 -0.04 -4.80 119.36 119.65 2tbd n ILE 116 Ca 0.01 0.50 -0.01 0.00 1.00 0.00 0.00 62.75 64.26 2tbd n ILE 116 Cb 0.44 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 2tbd n ILE 116 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2tbd n GLU 117 N -2.26 0.07 -2.72 0.38 1.02 -1.02 -5.00 120.64 111.11 2tbd n GLU 117 Ca 0.00 -0.13 -0.04 0.00 -0.02 0.00 0.00 57.16 56.97 2tbd n GLU 117 Cb 0.00 0.16 0.02 0.00 -0.02 0.00 0.00 31.44 31.60 2tbd n GLU 117 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2tbd n GLU 118 N -0.03 0.57 0.00 3.49 0.28 -1.26 -1.33 120.64 122.36 2tbd n GLU 118 Ca -0.01 -1.16 0.07 0.00 -0.16 0.00 0.00 57.16 55.90 2tbd n GLU 118 Cb 0.03 1.48 -0.04 0.00 1.43 0.00 0.00 31.44 34.34 2tbd n GLU 118 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2tbd n SER 119 N -1.20 0.99 -4.73 -1.84 2.88 -0.73 -4.96 113.62 104.02 2tbd n SER 119 Ca -0.04 -1.00 -0.33 0.00 -1.33 0.00 0.00 58.87 56.18 2tbd n SER 119 Cb 0.35 0.78 -0.08 0.00 -0.75 0.00 0.00 64.21 64.50 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2tbd s LEU 120 N -2.32 3.70 0.39 2.46 2.01 -1.26 -4.98 118.68 118.69 2tbd s LEU 120 Ca 0.08 0.07 0.21 0.00 0.01 0.00 0.00 54.13 54.49 2tbd s LEU 120 Cb 0.11 -2.15 0.35 0.00 0.01 0.00 0.00 46.19 44.51 2tbd s LEU 120 CO 0.47 0.27 1.59 1.55 1.01 0.00 0.00 176.35 181.24 2tbd h PRO 121 N 4.20 0.00 0.00 1.29 0.13 -2.03 -3.25 132.00 132.35 2tbd h PRO 121 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2tbd h PRO 121 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2tbd h PRO 121 CO 0.60 0.18 -0.63 0.41 -0.23 0.00 0.00 178.00 178.32 2tbd n GLY 122 N 1.02 -0.22 7.00 1.56 0.00 -1.26 -5.09 105.19 108.20 2tbd n GLY 122 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2tbd n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tbd n GLY 123 N 1.32 0.11 3.77 -0.02 0.00 -1.23 -4.76 105.19 104.38 2tbd n GLY 123 Ca 0.02 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 2tbd n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tbd s LEU 124 N 0.00 4.31 0.00 0.99 1.02 -1.26 -4.90 118.68 118.84 2tbd s LEU 124 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 54.13 56.27 2tbd s LEU 124 Cb 0.00 -3.96 0.00 0.00 0.02 0.00 0.00 46.19 42.25 2tbd s LEU 124 CO 0.00 -0.34 0.00 1.17 0.02 0.00 0.00 176.35 177.20 2tbd n LYS 125 N 0.45 0.00 -0.02 1.70 3.00 -1.26 -4.97 118.16 117.06 2tbd n LYS 125 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.47 2tbd n LYS 125 Cb 0.48 0.00 0.41 0.00 0.00 0.00 0.00 35.03 35.92 2tbd n LYS 125 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2tbd n GLU 126 N 0.00 1.84 0.05 1.64 0.00 -1.26 -3.70 120.64 119.21 2tbd n GLU 126 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 57.16 55.80 2tbd n GLU 126 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 31.44 29.91 2tbd n GLU 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2tbd h HIS 127 N 2.90 -1.18 0.00 4.31 3.86 -1.93 -3.39 115.15 119.72 2tbd h HIS 127 Ca 0.00 0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 2tbd h HIS 127 Cb 0.62 0.52 -0.11 0.00 1.06 0.00 0.00 27.41 29.50 2tbd h HIS 127 CO 0.02 -0.49 -0.29 -3.47 0.86 0.00 0.00 177.93 174.56 2tbd n ASP 128 N -5.45 -0.49 -3.85 2.45 2.03 -1.26 -5.12 116.55 104.86 2tbd n ASP 128 Ca -0.05 -1.72 -0.09 0.00 0.52 0.00 0.00 54.79 53.44 2tbd n ASP 128 Cb 0.37 0.14 -0.08 0.00 -0.72 0.00 0.00 41.12 40.83 2tbd n ASP 128 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2tbd s PHE 129 N 0.00 0.12 0.32 -0.67 0.40 -1.24 -4.95 117.98 111.95 2tbd s PHE 129 Ca 0.03 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2tbd s PHE 129 Cb 0.04 -0.05 0.00 0.00 0.51 0.00 0.00 43.02 43.52 2tbd s PHE 129 CO -0.02 -0.50 0.00 0.09 0.70 0.00 0.00 175.22 175.49 2tbd n ASN 130 N 0.20 -2.84 -4.79 1.36 4.13 -1.26 -4.17 115.26 107.90 2tbd n ASN 130 Ca -0.16 0.64 -0.35 0.00 1.68 0.00 0.00 54.58 56.38 2tbd n ASN 130 Cb 0.61 2.78 -0.03 0.00 -1.54 0.00 0.00 39.78 41.60 2tbd n ASN 130 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2tbd s PRO 131 N -1.70 3.95 -0.25 3.52 0.04 -1.26 -5.06 135.00 134.25 2tbd s PRO 131 Ca 0.00 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 2tbd s PRO 131 Cb 0.00 -2.33 0.11 0.00 0.04 0.00 0.00 34.50 32.32 2tbd s PRO 131 CO 0.00 -0.32 0.54 -1.83 0.04 0.00 0.00 177.00 175.43 2tbd s GLU 132 N -2.84 0.46 -1.07 4.56 -1.05 -1.26 -4.88 118.70 112.63 2tbd s GLU 132 Ca 0.63 1.24 -0.09 0.00 -0.15 0.00 0.00 54.97 56.59 2tbd s GLU 132 Cb -0.20 0.58 -0.06 0.00 -0.44 0.00 0.00 34.13 34.00 2tbd s GLU 132 CO 0.25 -0.22 0.89 0.43 0.95 0.00 0.00 175.26 177.56 2tbd n SER 133 N 5.35 -6.37 0.00 0.83 7.64 -1.26 -5.13 113.62 114.68 2tbd n SER 133 Ca -0.11 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2tbd n SER 133 Cb 0.50 -4.82 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 2tbd n SER 133 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49