#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 0.00 -4.11 1.61 7.64 -1.26 -5.03 113.62 112.47 2tbd n SER 2 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 2tbd n SER 2 Cb 0.00 0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.15 2tbd n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2tbd s LYS 3 N -1.13 2.47 -0.88 1.43 1.02 -1.26 -5.01 119.74 116.38 2tbd s LYS 3 Ca 0.00 -2.34 -0.17 0.00 0.02 0.00 0.00 55.97 53.48 2tbd s LYS 3 Cb 0.00 -3.73 -0.23 0.00 -0.52 0.00 0.00 37.83 33.35 2tbd s LYS 3 CO 0.00 -1.16 2.24 0.28 -0.92 0.00 0.00 175.35 175.80 2tbd n VAL 4 N 3.81 0.00 -3.22 3.17 0.31 -1.26 -3.61 118.33 117.52 2tbd n VAL 4 Ca 0.05 -0.49 -0.06 0.00 -0.01 0.00 0.00 64.34 63.84 2tbd n VAL 4 Cb 0.39 -1.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.33 2tbd n VAL 4 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2tbd n GLU 5 N 7.11 -0.59 -2.69 5.55 2.13 -1.26 -4.85 120.64 126.03 2tbd n GLU 5 Ca 0.55 0.92 -0.37 0.00 0.66 0.00 0.00 57.16 58.92 2tbd n GLU 5 Cb 0.30 -1.27 -0.06 0.00 0.27 0.00 0.00 31.44 30.68 2tbd n GLU 5 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2tbd s ASP 6 N -1.09 7.19 0.05 4.31 2.15 -1.24 -4.97 116.67 123.07 2tbd s ASP 6 Ca 0.06 1.94 -0.30 0.00 0.43 0.00 0.00 52.55 54.67 2tbd s ASP 6 Cb -0.01 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 2tbd s ASP 6 CO 0.15 -0.18 1.01 -2.16 -0.17 0.00 0.00 175.17 173.82 2tbd s PRO 7 N -2.07 4.58 0.00 4.34 0.04 -1.26 -4.94 135.00 135.70 2tbd s PRO 7 Ca 0.51 1.48 0.24 0.00 0.04 0.00 0.00 61.00 63.28 2tbd s PRO 7 Cb -0.21 -3.41 0.34 0.00 0.04 0.00 0.00 34.50 31.25 2tbd s PRO 7 CO 0.27 0.00 1.32 0.36 0.04 0.00 0.00 177.00 178.99 2tbd n LYS 8 N 3.52 1.55 -3.64 4.56 0.00 -1.26 -4.98 118.16 117.91 2tbd n LYS 8 Ca 0.05 -1.19 0.00 0.00 -0.00 0.00 0.00 58.31 57.17 2tbd n LYS 8 Cb 0.50 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2tbd n ASP 9 N 0.31 0.00 -4.66 -5.58 5.68 -1.26 -5.11 116.55 105.94 2tbd n ASP 9 Ca 0.13 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 54.11 2tbd n ASP 9 Cb 0.47 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.62 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2tbd s PHE 10 N -2.41 1.85 0.53 2.11 0.40 -1.26 -4.99 117.98 114.21 2tbd s PHE 10 Ca 0.00 1.53 -0.17 0.00 -0.60 0.00 0.00 56.93 57.69 2tbd s PHE 10 Cb 0.00 -3.21 -0.07 0.00 0.51 0.00 0.00 43.02 40.25 2tbd s PHE 10 CO 0.00 -2.80 1.01 -1.25 0.70 0.00 0.00 175.22 172.88 2tbd s PRO 11 N -4.71 3.77 0.42 0.24 0.04 -1.26 -4.93 135.00 128.59 2tbd s PRO 11 Ca 0.66 1.04 0.18 0.00 0.04 0.00 0.00 61.00 62.92 2tbd s PRO 11 Cb -0.21 -2.11 0.96 0.00 0.04 0.00 0.00 34.50 33.18 2tbd s PRO 11 CO 0.59 -0.42 1.90 0.66 0.04 0.00 0.00 177.00 179.76 2tbd h SER 12 N 0.83 0.00 0.31 6.66 4.64 -1.97 -1.46 113.55 122.55 2tbd h SER 12 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2tbd h SER 12 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2tbd h SER 12 CO 0.60 0.28 0.00 1.21 -0.87 0.00 0.00 176.83 178.05 2tbd n GLU 13 N -3.87 0.04 0.00 4.77 4.07 -1.26 -2.05 120.64 122.34 2tbd n GLU 13 Ca -0.02 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 2tbd n GLU 13 Cb 0.36 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 2tbd n GLU 13 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2tbd n LEU 14 N -1.44 0.18 -0.24 4.31 4.77 -0.62 -4.57 117.00 119.40 2tbd n LEU 14 Ca 0.03 -0.58 0.03 0.00 -0.03 0.00 0.00 56.01 55.45 2tbd n LEU 14 Cb 0.11 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.29 2tbd n LEU 14 CO 0.09 0.05 0.57 0.18 -1.33 0.00 0.00 177.39 176.94 2tbd n LEU 15 N -0.80 0.70 0.04 2.23 4.77 -0.81 -3.42 117.00 119.70 2tbd n LEU 15 Ca 0.00 -0.35 0.13 0.00 -0.03 0.00 0.00 56.01 55.76 2tbd n LEU 15 Cb 0.00 -0.08 0.43 0.00 -2.33 0.00 0.00 43.42 41.43 2tbd n LEU 15 CO 0.00 0.17 0.75 -1.20 -1.33 0.00 0.00 177.39 175.78 2tbd n SER 16 N -0.13 0.41 -2.58 -1.43 7.64 -1.25 -4.19 113.62 112.09 2tbd n SER 16 Ca 0.05 0.31 -0.02 0.00 1.01 0.00 0.00 58.87 60.23 2tbd n SER 16 Cb 0.11 -0.33 0.10 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.78 -1.27 -3.34 1.43 1.16 -1.22 -5.13 117.46 107.31 2tbd n PHE 17 Ca 0.06 -1.70 -0.22 0.00 -1.87 0.00 0.00 57.45 53.72 2tbd n PHE 17 Cb 0.38 1.13 0.03 0.00 -1.61 0.00 0.00 39.48 39.41 2tbd n PHE 17 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2tbd s LEU 18 N -3.74 3.01 -0.24 5.98 2.96 -1.24 -3.56 118.68 121.86 2tbd s LEU 18 Ca 0.12 -0.95 0.01 0.00 -0.22 0.00 0.00 54.13 53.09 2tbd s LEU 18 Cb 0.40 -1.56 0.04 0.00 0.50 0.00 0.00 46.19 45.57 2tbd s LEU 18 CO -0.11 -1.20 -0.11 -0.55 -1.32 0.00 0.00 176.35 173.06 2tbd s SER 19 N -4.50 4.14 -0.67 3.68 0.15 -1.18 -4.52 113.70 110.80 2tbd s SER 19 Ca 0.52 -1.06 -0.18 0.00 0.70 0.00 0.00 55.95 55.93 2tbd s SER 19 Cb -0.05 -1.58 0.13 0.00 -1.71 0.00 0.00 66.02 62.81 2tbd s SER 19 CO 0.32 -0.13 0.76 -1.00 1.20 0.00 0.00 173.24 174.39 2tbd s HIS 20 N 1.23 3.15 0.00 3.44 0.09 -1.26 -4.13 115.29 117.80 2tbd s HIS 20 Ca -0.03 -1.20 0.00 0.00 -0.00 0.00 0.00 55.06 53.83 2tbd s HIS 20 Cb -0.17 -4.01 0.00 0.00 -0.00 0.00 0.00 32.58 28.40 2tbd s HIS 20 CO -0.06 -1.26 0.00 0.00 -0.00 0.00 0.00 174.74 173.42 2tbd n ALA 21 N 5.93 0.00 -0.06 -1.40 0.00 -1.26 -5.05 120.51 118.67 2tbd n ALA 21 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 2tbd n ALA 21 Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.75 2tbd n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2tbd n VAL 22 N 0.00 1.58 -2.80 0.00 0.31 -1.26 -4.48 118.33 111.69 2tbd n VAL 22 Ca 0.00 -0.71 -0.30 0.00 -0.01 0.00 0.00 64.34 63.32 2tbd n VAL 22 Cb 0.00 -1.22 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 2tbd n VAL 22 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2tbd n PHE 23 N -3.17 3.69 -3.02 3.52 3.01 -1.26 -2.22 117.46 118.01 2tbd n PHE 23 Ca -0.32 -3.54 -0.25 0.00 1.01 0.00 0.00 57.45 54.34 2tbd n PHE 23 Cb 1.06 -0.63 -0.01 0.00 -0.01 0.00 0.00 39.48 39.89 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2tbd s SER 24 N -2.94 6.26 0.00 4.37 1.04 -1.26 -4.98 113.70 116.20 2tbd s SER 24 Ca 0.47 0.67 0.28 0.00 0.48 0.00 0.00 55.95 57.85 2tbd s SER 24 Cb 0.28 -2.12 1.05 0.00 0.10 0.00 0.00 66.02 65.33 2tbd s SER 24 CO -0.15 -0.44 1.74 0.59 0.98 0.00 0.00 173.24 175.96 2tbd n ASN 25 N -2.02 1.49 -4.82 7.02 4.13 -1.26 -4.87 115.26 114.92 2tbd n ASN 25 Ca -0.02 -1.50 -0.37 0.00 1.68 0.00 0.00 54.58 54.37 2tbd n ASN 25 Cb 0.56 -0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.73 2tbd n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2tbd s ARG 26 N -1.99 4.14 -0.21 3.52 1.70 -1.26 -5.06 118.95 119.80 2tbd s ARG 26 Ca 0.38 0.70 -0.10 0.00 -0.47 0.00 0.00 55.73 56.24 2tbd s ARG 26 Cb 0.21 -3.00 -0.05 0.00 -0.57 0.00 0.00 34.95 31.54 2tbd s ARG 26 CO 0.33 0.49 0.13 0.95 -1.08 0.00 0.00 175.30 176.13 2tbd s THR 27 N -1.38 5.31 0.19 4.99 -4.23 -1.26 -4.57 115.64 114.69 2tbd s THR 27 Ca 0.37 0.16 0.11 0.00 -1.18 0.00 0.00 61.69 61.15 2tbd s THR 27 Cb -0.17 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 2tbd s THR 27 CO 0.20 0.41 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.70 2tbd s LEU 28 N 0.60 2.43 -0.10 4.79 1.43 -0.35 -4.89 118.68 122.59 2tbd s LEU 28 Ca 0.07 -0.86 0.14 0.00 -1.03 0.00 0.00 54.13 52.45 2tbd s LEU 28 Cb -0.12 -1.12 0.24 0.00 0.03 0.00 0.00 46.19 45.22 2tbd s LEU 28 CO 0.00 0.10 1.14 0.00 0.23 0.00 0.00 176.35 177.82 2tbd n ALA 29 N 0.30 2.25 -3.62 4.21 0.00 -1.26 -2.83 120.51 119.56 2tbd n ALA 29 Ca -0.13 -2.14 -0.14 0.00 0.00 0.00 0.00 53.44 51.03 2tbd n ALA 29 Cb 0.56 -0.31 -0.15 0.00 0.00 0.00 0.00 19.45 19.55 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 0.94 0.21 -0.18 0.00 0.40 -1.08 -2.19 117.98 116.08 2tbd s PHE 31 Ca -0.08 -0.46 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 2tbd s PHE 31 Cb -0.10 -0.16 0.01 0.00 0.51 0.00 0.00 43.02 43.27 2tbd s PHE 31 CO -0.04 -0.26 -0.15 0.00 0.70 0.00 0.00 175.22 175.48 2tbd s ALA 32 N -1.80 2.49 -0.17 5.36 0.00 -0.65 -2.61 121.76 124.38 2tbd s ALA 32 Ca -0.12 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 2tbd s ALA 32 Cb -0.07 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 2tbd s ALA 32 CO -0.02 -0.29 0.16 0.42 0.00 0.00 0.00 175.76 176.03 2tbd s ILE 33 N 1.22 5.41 -0.44 0.00 1.01 -0.48 -2.11 121.20 125.81 2tbd s ILE 33 Ca 0.03 0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.95 2tbd s ILE 33 Cb -0.14 -3.48 0.12 0.00 0.01 0.00 0.00 42.46 38.97 2tbd s ILE 33 CO -0.07 0.48 0.18 -0.47 0.00 0.00 0.00 174.94 175.06 2tbd s TYR 34 N 0.03 3.53 0.00 3.97 5.04 -0.47 0.11 117.35 129.57 2tbd s TYR 34 Ca 0.11 -2.90 0.00 0.00 -2.44 0.00 0.00 57.07 51.84 2tbd s TYR 34 Cb -0.12 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.20 2tbd s TYR 34 CO 0.01 -0.89 0.00 0.25 -1.34 0.00 0.00 175.55 173.58 2tbd n THR 35 N 3.92 0.00 -2.20 4.34 -2.24 -0.70 -0.95 114.28 116.45 2tbd n THR 35 Ca 0.03 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.55 2tbd n THR 35 Cb 0.39 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.14 2.23 0.15 4.28 -4.23 -1.26 -1.66 115.64 114.01 2tbd s THR 36 Ca 0.00 -0.27 -0.17 0.00 -1.18 0.00 0.00 61.69 60.07 2tbd s THR 36 Cb 0.00 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2tbd s THR 36 CO 0.00 0.00 1.75 0.07 -0.54 0.00 0.00 174.62 175.90 2tbd h LYS 37 N -0.71 0.25 0.00 3.99 2.10 -1.87 0.44 116.57 120.77 2tbd h LYS 37 Ca -0.44 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2tbd h LYS 37 Cb 1.30 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2tbd h LYS 37 CO 0.56 0.16 0.00 0.93 -2.00 0.00 0.00 179.45 179.11 2tbd h GLU 38 N 0.25 0.00 0.00 0.07 5.08 -1.99 -2.43 114.58 115.57 2tbd h GLU 38 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2tbd h GLU 38 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2tbd h GLU 38 CO -0.14 0.00 -0.09 0.87 -1.00 0.00 0.00 179.01 178.65 2tbd h LYS 39 N 0.00 0.00 -0.99 2.33 1.79 -1.30 -3.33 116.57 115.07 2tbd h LYS 39 Ca 0.00 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 58.74 2tbd h LYS 39 Cb 0.18 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 2tbd h LYS 39 CO 0.00 0.00 0.69 0.00 -1.08 0.00 0.00 179.45 179.06 2tbd h ALA 40 N -1.48 2.76 0.34 3.86 0.00 -1.28 -1.91 119.26 121.56 2tbd h ALA 40 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2tbd h ALA 40 Cb 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2tbd h ALA 40 CO 0.00 -1.06 -0.35 0.00 0.00 0.00 0.00 179.25 177.83 2tbd h ALA 41 N 1.53 -1.02 0.31 0.00 0.00 -1.57 0.28 119.26 118.79 2tbd h ALA 41 Ca 0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2tbd h ALA 41 Cb 1.76 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 20.11 2tbd h ALA 41 CO -0.06 -1.05 -0.52 -0.07 0.00 0.00 0.00 179.25 177.55 2tbd h LEU 42 N -0.69 -1.50 -1.78 0.00 4.07 -1.46 0.12 115.31 114.07 2tbd h LEU 42 Ca -0.04 0.14 0.53 0.00 0.08 0.00 0.00 57.88 58.58 2tbd h LEU 42 Cb 0.61 0.52 -0.10 0.00 1.08 0.00 0.00 40.66 42.77 2tbd h LEU 42 CO -0.05 -0.62 1.21 -0.07 -1.08 0.00 0.00 178.44 177.83 2tbd h LEU 43 N -0.89 0.08 0.26 1.67 -0.00 -1.34 -0.32 115.31 114.78 2tbd h LEU 43 Ca -0.04 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2tbd h LEU 43 Cb 0.82 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 2tbd h LEU 43 CO -0.18 -0.09 -0.12 0.22 -0.00 0.00 0.00 178.44 178.27 2tbd h TYR 44 N 0.01 -0.32 0.00 1.13 3.20 0.14 0.14 116.97 121.27 2tbd h TYR 44 Ca 0.90 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.76 2tbd h TYR 44 Cb 3.36 0.11 0.00 0.00 1.54 0.00 0.00 36.73 41.74 2tbd h TYR 44 CO -0.00 -0.20 0.00 -0.22 -1.64 0.00 0.00 178.16 176.10 2tbd h LYS 45 N -0.41 0.00 0.00 1.82 1.63 -0.99 -2.33 116.57 116.30 2tbd h LYS 45 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2tbd h LYS 45 Cb 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2tbd h LYS 45 CO 0.06 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.69 2tbd n LYS 46 N -2.36 0.00 -0.45 1.90 5.02 -0.37 -4.35 118.16 117.56 2tbd n LYS 46 Ca -0.02 0.00 0.41 0.00 -2.02 0.00 0.00 58.31 56.68 2tbd n LYS 46 Cb 0.04 -0.22 0.72 0.00 -0.02 0.00 0.00 35.03 35.55 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2tbd h ILE 47 N 0.00 0.13 -0.92 -0.18 1.08 -1.07 -0.83 117.51 115.73 2tbd h ILE 47 Ca 0.00 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.69 2tbd h ILE 47 Cb 0.00 0.16 -0.17 0.00 -3.07 0.00 0.00 36.82 33.73 2tbd h ILE 47 CO 0.00 0.00 -0.09 -0.03 -0.69 0.00 0.00 178.15 177.34 2tbd h MET 48 N 0.00 0.02 0.00 2.37 4.05 -1.55 -1.75 114.93 118.07 2tbd h MET 48 Ca 0.69 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.11 2tbd h MET 48 Cb 3.02 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 33.81 2tbd h MET 48 CO -0.01 0.01 -0.70 -1.91 0.23 0.00 0.00 176.91 174.54 2tbd n GLU 49 N -5.51 2.97 0.17 0.39 4.07 -0.37 -3.30 120.64 119.06 2tbd n GLU 49 Ca 0.18 -0.02 0.03 0.00 -0.06 0.00 0.00 57.16 57.28 2tbd n GLU 49 Cb 0.58 -1.02 0.28 0.00 -0.06 0.00 0.00 31.44 31.22 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2tbd h LYS 50 N 0.00 0.00 0.00 5.31 3.64 -0.79 -3.30 116.57 121.43 2tbd h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2tbd h LYS 50 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2tbd h LYS 50 CO 0.00 0.47 -0.24 0.66 -2.27 0.00 0.00 179.45 178.07 2tbd n TYR 51 N -3.71 0.00 -4.13 1.91 4.02 -0.73 -4.99 117.16 109.53 2tbd n TYR 51 Ca -0.01 -0.24 -0.30 0.00 -0.01 0.00 0.00 57.90 57.34 2tbd n TYR 51 Cb 0.54 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 39.76 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 -0.33 -0.96 -2.84 7.72 7.64 -1.22 -3.90 113.62 119.73 2tbd n SER 52 Ca 0.03 -1.07 -0.39 0.00 1.01 0.00 0.00 58.87 58.45 2tbd n SER 52 Cb 0.60 -2.61 -0.05 0.00 -1.01 0.00 0.00 64.21 61.14 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 -4.42 0.00 1.56 0.44 0.24 -1.21 -4.33 118.33 110.62 2tbd n VAL 53 Ca -0.19 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.24 2tbd n VAL 53 Cb 0.62 -0.12 0.76 0.00 -1.47 0.00 0.00 33.84 33.63 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 1.52 0.04 0.00 3.34 -1.04 -1.11 -4.77 114.28 112.27 2tbd n THR 54 Ca 0.15 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2tbd n THR 54 Cb 0.02 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 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 -1.06 0.00 -4.03 -1.42 7.35 -1.26 -4.78 117.46 112.26 2tbd n PHE 55 Ca 0.18 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.66 2tbd n PHE 55 Cb 0.11 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.78 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 0.52 -0.08 -2.13 2.07 -1.26 -1.53 121.20 118.79 2tbd s ILE 56 Ca 0.00 -0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2tbd s ILE 56 Cb 0.00 -0.58 0.02 0.00 0.13 0.00 0.00 42.46 42.03 2tbd s ILE 56 CO 0.00 0.24 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.67 2tbd s SER 57 N 1.27 1.66 -0.30 4.50 0.15 -0.21 -2.01 113.70 118.77 2tbd s SER 57 Ca -0.05 -0.19 -0.24 0.00 0.70 0.00 0.00 55.95 56.16 2tbd s SER 57 Cb -0.14 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 2tbd s SER 57 CO -0.02 -0.11 0.82 -0.13 1.20 0.00 0.00 173.24 175.00 2tbd s ARG 58 N 1.47 4.00 0.54 5.44 0.52 0.21 -1.68 118.95 129.45 2tbd s ARG 58 Ca -0.01 0.67 0.05 0.00 -0.52 0.00 0.00 55.73 55.92 2tbd s ARG 58 Cb -0.13 -3.72 0.03 0.00 0.52 0.00 0.00 34.95 31.65 2tbd s ARG 58 CO -0.04 -0.68 0.35 -1.01 0.02 0.00 0.00 175.30 173.94 2tbd s HIS 59 N 3.01 1.69 -0.01 -0.53 3.76 -0.93 -1.31 115.29 120.97 2tbd s HIS 59 Ca 0.34 -0.85 0.08 0.00 -0.15 0.00 0.00 55.06 54.48 2tbd s HIS 59 Cb -0.14 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 2tbd s HIS 59 CO 0.12 -0.37 -0.24 -0.80 -0.85 0.00 0.00 174.74 172.60 2tbd s ASN 60 N -4.22 2.87 0.00 1.40 0.02 -0.62 -1.54 114.94 112.84 2tbd s ASN 60 Ca 0.31 -0.46 0.00 0.00 -1.02 0.00 0.00 52.86 51.69 2tbd s ASN 60 Cb -0.02 -0.31 0.00 0.00 0.02 0.00 0.00 41.25 40.94 2tbd s ASN 60 CO 0.19 0.29 0.00 -1.54 0.02 0.00 0.00 177.10 176.06 2tbd n SER 61 N 2.38 0.00 0.00 -1.22 3.41 -1.00 -1.99 113.62 115.21 2tbd n SER 61 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2tbd n SER 61 Cb 0.52 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.31 0.00 -1.49 7.33 4.02 -1.26 -4.72 117.16 119.72 2tbd n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2tbd n TYR 62 Cb 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 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 -2.17 0.00 -0.82 7.72 3.02 -1.26 -5.12 115.26 116.63 2tbd n ASN 63 Ca 0.00 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2tbd n ASN 63 Cb 0.23 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2tbd n HIS 64 N 0.00 -0.45 -4.26 3.10 8.25 -1.26 -4.83 115.22 115.78 2tbd n HIS 64 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2tbd n HIS 64 Cb 0.54 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.53 2tbd n HIS 64 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2tbd s ASN 65 N -0.54 2.18 -0.31 0.41 -0.87 -0.66 -2.37 114.94 112.78 2tbd s ASN 65 Ca 0.00 -0.76 -0.03 0.00 -1.57 0.00 0.00 52.86 50.50 2tbd s ASN 65 Cb 0.00 -0.10 0.05 0.00 -0.02 0.00 0.00 41.25 41.18 2tbd s ASN 65 CO 0.00 -0.07 0.04 -0.63 -2.57 0.00 0.00 177.10 173.86 2tbd s ILE 66 N -1.79 3.21 -0.81 0.60 1.09 -0.59 -1.72 121.20 121.19 2tbd s ILE 66 Ca 0.08 -1.35 -0.26 0.00 -1.10 0.00 0.00 60.65 58.02 2tbd s ILE 66 Cb -0.07 -2.85 0.03 0.00 -1.06 0.00 0.00 42.46 38.51 2tbd s ILE 66 CO 0.04 -0.15 1.38 -0.22 -0.10 0.00 0.00 174.94 175.88 2tbd s LEU 67 N 1.29 3.26 0.15 2.97 2.96 0.31 -2.19 118.68 127.42 2tbd s LEU 67 Ca -0.04 -0.67 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 2tbd s LEU 67 Cb -0.20 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.86 2tbd s LEU 67 CO -0.00 -1.81 1.00 0.12 -1.32 0.00 0.00 176.35 174.33 2tbd s PHE 68 N 5.85 3.78 -0.23 5.38 5.36 -0.67 -1.38 117.98 136.06 2tbd s PHE 68 Ca 0.41 1.76 -0.12 0.00 -0.96 0.00 0.00 56.93 58.01 2tbd s PHE 68 Cb -0.06 -3.10 0.08 0.00 -0.34 0.00 0.00 43.02 39.59 2tbd s PHE 68 CO 0.08 0.02 0.56 -0.59 -1.46 0.00 0.00 175.22 173.84 2tbd s PHE 69 N -0.22 -0.89 0.68 10.12 -0.71 -1.07 -1.04 117.98 124.86 2tbd s PHE 69 Ca 0.47 1.78 0.02 0.00 -1.04 0.00 0.00 56.93 58.15 2tbd s PHE 69 Cb -0.25 0.48 0.11 0.00 -1.21 0.00 0.00 43.02 42.15 2tbd s PHE 69 CO 0.31 -0.46 0.94 -1.17 -1.34 0.00 0.00 175.22 173.50 2tbd s LEU 70 N 1.67 3.02 -0.11 -1.99 2.96 -0.58 -2.62 118.68 121.04 2tbd s LEU 70 Ca -0.09 -0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 53.22 2tbd s LEU 70 Cb -0.07 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.71 2tbd s LEU 70 CO -0.17 -1.72 0.38 0.42 -1.32 0.00 0.00 176.35 173.95 2tbd s THR 71 N -3.02 0.02 0.00 3.68 -4.23 -0.07 -2.75 115.64 109.27 2tbd s THR 71 Ca 0.65 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2tbd s THR 71 Cb -0.06 -0.59 0.00 0.00 1.34 0.00 0.00 72.50 73.19 2tbd s THR 71 CO 0.43 -0.07 0.07 -0.81 -0.54 0.00 0.00 174.62 173.70 2tbd n PRO 72 N 2.35 0.00 -0.67 3.99 -0.04 -1.25 -4.67 135.00 134.70 2tbd n PRO 72 Ca -0.16 0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 2tbd n PRO 72 Cb 0.57 -0.62 0.13 0.00 -0.04 0.00 0.00 33.50 33.53 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 -0.68 -1.77 -4.07 0.54 1.44 -1.26 -4.95 115.22 104.47 2tbd n HIS 73 Ca 0.00 0.20 -0.32 0.00 -2.01 0.00 0.00 57.72 55.60 2tbd n HIS 73 Cb 0.00 -1.44 -0.07 0.00 0.12 0.00 0.00 29.99 28.60 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 -3.10 3.03 0.00 -1.40 0.52 -1.26 -4.76 118.95 111.97 2tbd s ARG 74 Ca 0.40 -0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 55.05 2tbd s ARG 74 Cb -0.05 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.60 2tbd s ARG 74 CO 0.48 0.61 0.01 0.72 0.02 0.00 0.00 175.30 177.14 2tbd n HIS 75 N 0.82 -0.47 -4.74 -0.53 -0.00 -1.13 -5.02 115.22 104.16 2tbd n HIS 75 Ca -0.11 -0.03 -0.25 0.00 -0.00 0.00 0.00 57.72 57.34 2tbd n HIS 75 Cb 0.52 0.01 -0.16 0.00 -0.00 0.00 0.00 29.99 30.36 2tbd n HIS 75 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2tbd s ARG 76 N -2.01 1.53 0.61 -0.41 0.52 -1.26 -1.22 118.95 116.70 2tbd s ARG 76 Ca 0.00 -0.55 0.27 0.00 -0.52 0.00 0.00 55.73 54.94 2tbd s ARG 76 Cb -0.00 -1.37 1.10 0.00 0.52 0.00 0.00 34.95 35.20 2tbd s ARG 76 CO 0.00 0.25 1.50 0.28 0.02 0.00 0.00 175.30 177.35 2tbd h VAL 77 N 5.16 0.11 0.13 3.52 2.07 -1.82 0.39 116.25 125.81 2tbd h VAL 77 Ca -0.34 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2tbd h VAL 77 Cb 1.17 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2tbd h VAL 77 CO 0.48 0.00 -0.06 0.28 0.02 0.00 0.00 177.57 178.29 2tbd h SER 78 N 0.00 -0.15 0.36 0.57 0.02 -1.77 0.47 113.55 113.05 2tbd h SER 78 Ca 0.38 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2tbd h SER 78 Cb 2.31 0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.89 2tbd h SER 78 CO -0.00 0.09 -0.17 0.00 -1.14 0.00 0.00 176.83 175.60 2tbd h ALA 79 N 0.45 -0.48 0.00 3.77 0.00 -0.54 -0.80 119.26 121.66 2tbd h ALA 79 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2tbd h ALA 79 Cb 0.31 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2tbd h ALA 79 CO 0.03 -0.67 0.00 0.82 0.00 0.00 0.00 179.25 179.43 2tbd h ILE 80 N -0.69 0.00 0.00 0.00 1.08 -1.47 0.52 117.51 116.95 2tbd h ILE 80 Ca -0.05 -0.01 -0.20 0.00 -0.39 0.00 0.00 64.86 64.21 2tbd h ILE 80 Cb 0.48 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 2tbd h ILE 80 CO 0.08 0.00 -0.99 -1.13 -0.69 0.00 0.00 178.15 175.42 2tbd h ASN 81 N 0.00 0.00 0.66 1.72 -1.24 0.77 -2.56 115.58 114.93 2tbd h ASN 81 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.85 2tbd h ASN 81 Cb 0.01 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 2tbd h ASN 81 CO 0.00 0.93 -0.76 0.78 -1.29 0.00 0.00 177.43 177.09 2tbd h ASN 82 N 0.00 0.09 0.06 1.15 2.35 0.51 -0.31 115.58 119.44 2tbd h ASN 82 Ca -0.03 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2tbd h ASN 82 Cb 1.74 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.08 2tbd h ASN 82 CO 0.12 0.81 -0.03 0.22 -1.65 0.00 0.00 177.43 176.90 2tbd h TYR 83 N 0.05 -0.08 -0.88 1.19 3.20 -1.50 -1.66 116.97 117.28 2tbd h TYR 83 Ca -0.02 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2tbd h TYR 83 Cb 1.33 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.59 2tbd h TYR 83 CO 0.01 0.22 0.51 0.00 -1.64 0.00 0.00 178.16 177.26 2tbd h ALA 84 N -0.70 1.24 0.00 1.82 0.00 -1.56 0.59 119.26 120.64 2tbd h ALA 84 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2tbd h ALA 84 Cb 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2tbd h ALA 84 CO 0.01 0.64 0.00 0.37 0.00 0.00 0.00 179.25 180.27 2tbd h GLN 85 N 1.22 0.00 0.00 0.00 5.75 -1.15 -1.95 115.11 118.98 2tbd h GLN 85 Ca 0.31 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 2tbd h GLN 85 Cb -0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.54 2tbd h GLN 85 CO -0.05 0.00 0.00 -0.22 -2.65 0.00 0.00 178.83 175.91 2tbd h LYS 86 N 0.00 0.00 -2.14 1.69 3.64 0.13 -3.22 116.57 116.68 2tbd h LYS 86 Ca 0.00 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.68 2tbd h LYS 86 Cb 0.44 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.04 2tbd h LYS 86 CO 0.00 0.00 1.06 1.28 -2.27 0.00 0.00 179.45 179.52 2tbd n LEU 87 N -2.81 7.27 -1.06 5.20 4.32 -0.73 -4.47 117.00 124.72 2tbd n LEU 87 Ca 0.03 -4.73 0.01 0.00 -0.02 0.00 0.00 56.01 51.29 2tbd n LEU 87 Cb 0.39 -1.18 0.14 0.00 -1.62 0.00 0.00 43.42 41.15 2tbd n LEU 87 CO 0.29 1.85 0.27 0.00 -1.22 0.00 0.00 177.39 178.58 2tbd n THR 89 N -0.76 1.69 -1.89 0.00 5.66 -1.26 -4.54 114.28 113.18 2tbd n THR 89 Ca 0.20 -1.60 0.00 0.00 -3.05 0.00 0.00 64.05 59.60 2tbd n THR 89 Cb 0.82 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 2tbd n THR 89 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 2tbd n PHE 90 N -0.41 0.00 0.00 1.09 -1.74 -1.26 -5.13 117.46 110.00 2tbd n PHE 90 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.04 2tbd n PHE 90 Cb 0.63 0.09 0.00 0.00 1.52 0.00 0.00 39.48 41.72 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 0.00 0.00 -4.83 5.98 7.64 -1.26 -5.03 113.62 116.12 2tbd n SER 91 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 2tbd n SER 91 Cb 0.58 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.86 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 -2.00 2.99 -0.18 1.43 -0.12 -1.26 -4.67 117.98 114.16 2tbd s PHE 92 Ca 0.00 1.15 -0.14 0.00 -0.05 0.00 0.00 56.93 57.89 2tbd s PHE 92 Cb 0.00 -3.09 0.05 0.00 -0.63 0.00 0.00 43.02 39.36 2tbd s PHE 92 CO 0.00 -1.57 0.47 -1.17 -0.05 0.00 0.00 175.22 172.90 2tbd s LEU 93 N -5.65 -0.04 -0.42 -1.99 0.20 -1.26 -4.32 118.68 105.21 2tbd s LEU 93 Ca 0.60 0.99 0.07 0.00 0.69 0.00 0.00 54.13 56.47 2tbd s LEU 93 Cb -0.13 1.59 0.22 0.00 -0.43 0.00 0.00 46.19 47.44 2tbd s LEU 93 CO 0.54 -0.18 0.47 -0.38 -0.29 0.00 0.00 176.35 176.51 2tbd n ILE 94 N 3.54 -0.64 -3.21 6.68 5.41 -0.13 -5.00 119.36 126.02 2tbd n ILE 94 Ca -0.18 -3.91 -0.31 0.00 1.00 0.00 0.00 62.75 59.35 2tbd n ILE 94 Cb 0.56 -1.88 -0.04 0.00 -0.71 0.00 0.00 39.64 37.58 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 -3.34 1.07 0.93 0.00 2.47 -0.90 -4.89 119.74 115.08 2tbd s LYS 96 Ca 0.48 0.00 -0.12 0.00 -1.56 0.00 0.00 55.97 54.77 2tbd s LYS 96 Cb -0.11 0.50 0.15 0.00 -1.46 0.00 0.00 37.83 36.91 2tbd s LYS 96 CO 0.26 -0.37 1.11 0.20 0.16 0.00 0.00 175.35 176.71 2tbd s GLY 97 N -1.63 1.59 -0.07 5.54 0.00 -1.26 -1.64 107.32 109.85 2tbd s GLY 97 Ca -0.08 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.34 2tbd s GLY 97 CO 0.03 0.21 -0.15 0.14 0.00 0.00 0.00 173.10 173.34 2tbd s VAL 98 N -3.08 1.33 -0.17 1.40 1.01 -0.93 -3.12 120.40 116.84 2tbd s VAL 98 Ca 0.64 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 2tbd s VAL 98 Cb -0.17 -1.19 -0.18 0.00 0.00 0.00 0.00 36.38 34.85 2tbd s VAL 98 CO 0.56 0.40 0.33 0.78 0.00 0.00 0.00 175.10 177.17 2tbd h ASN 99 N 6.76 0.00 -3.63 3.32 2.35 -1.79 -3.42 115.58 119.17 2tbd h ASN 99 Ca -0.29 -0.56 -0.76 0.00 -0.55 0.00 0.00 56.30 54.14 2tbd h ASN 99 Cb 1.19 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.29 2tbd h ASN 99 CO 0.47 1.14 -0.11 -0.75 -1.65 0.00 0.00 177.43 176.53 2tbd s LYS 100 N -2.22 3.16 0.00 0.81 2.20 -1.23 -4.96 119.74 117.50 2tbd s LYS 100 Ca -0.21 -2.20 0.00 0.00 -0.36 0.00 0.00 55.97 53.20 2tbd s LYS 100 Cb 0.02 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.11 2tbd s LYS 100 CO 0.52 -1.27 0.97 0.39 -0.36 0.00 0.00 175.35 175.60 2tbd n GLU 101 N 4.33 0.00 0.00 4.03 4.71 -1.26 -1.81 120.64 130.64 2tbd n GLU 101 Ca 0.04 0.59 0.00 0.00 -0.01 0.00 0.00 57.16 57.77 2tbd n GLU 101 Cb 0.43 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2tbd n TYR 102 N -2.14 0.00 -0.18 -0.32 4.19 -1.26 -1.58 117.16 115.86 2tbd n TYR 102 Ca 0.00 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.16 2tbd n TYR 102 Cb 0.00 -0.23 -0.04 0.00 0.49 0.00 0.00 39.34 39.56 2tbd n TYR 102 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2tbd h LEU 103 N 0.00 -0.96 -0.98 2.98 -0.00 -1.98 0.32 115.31 114.69 2tbd h LEU 103 Ca 0.00 0.15 0.37 0.00 -0.00 0.00 0.00 57.88 58.39 2tbd h LEU 103 Cb 0.00 0.43 -0.18 0.00 -0.00 0.00 0.00 40.66 40.91 2tbd h LEU 103 CO 0.00 -0.11 0.37 0.80 -0.00 0.00 0.00 178.44 179.51 2tbd n MET 104 N -4.00 -0.06 0.18 1.13 1.56 -0.75 -0.73 117.12 114.44 2tbd n MET 104 Ca 0.01 1.38 -0.12 0.00 -0.27 0.00 0.00 57.70 58.70 2tbd n MET 104 Cb 0.12 -2.39 -0.07 0.00 2.15 0.00 0.00 33.22 33.03 2tbd n MET 104 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2tbd h TYR 105 N 0.00 -0.46 -0.58 1.12 3.20 0.62 -2.13 116.97 118.74 2tbd h TYR 105 Ca 0.76 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.68 2tbd h TYR 105 Cb 1.90 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 40.23 2tbd h TYR 105 CO -0.16 -0.14 -0.57 1.03 -1.64 0.00 0.00 178.16 176.69 2tbd h SER 106 N -0.96 -1.95 -0.65 -2.11 0.87 0.16 0.66 113.55 109.56 2tbd h SER 106 Ca -0.05 0.27 0.12 0.00 -1.23 0.00 0.00 61.79 60.90 2tbd h SER 106 Cb 0.53 0.82 -0.04 0.00 -0.44 0.00 0.00 62.40 63.27 2tbd h SER 106 CO 0.08 -0.36 0.44 0.00 -0.53 0.00 0.00 176.83 176.47 2tbd h ALA 107 N 0.11 2.07 -0.17 6.23 0.00 -1.45 0.80 119.26 126.86 2tbd h ALA 107 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2tbd h ALA 107 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2tbd h ALA 107 CO -0.69 -0.23 -0.16 -0.07 0.00 0.00 0.00 179.25 178.09 2tbd h LEU 108 N 0.40 0.27 0.00 0.00 3.38 0.95 -2.08 115.31 118.23 2tbd h LEU 108 Ca 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2tbd h LEU 108 Cb 0.67 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2tbd h LEU 108 CO -0.09 0.46 -0.21 0.71 0.09 0.00 0.00 178.44 179.40 2tbd h THR 109 N 0.26 0.00 -3.01 0.22 1.35 0.84 -3.37 112.91 109.20 2tbd h THR 109 Ca 0.05 -0.85 -0.61 0.00 -0.55 0.00 0.00 66.41 64.45 2tbd h THR 109 Cb 0.45 1.74 -0.05 0.00 -1.73 0.00 0.00 68.15 68.56 2tbd h THR 109 CO 0.03 0.00 -0.27 -0.13 -0.25 0.00 0.00 175.52 174.90 2tbd s ARG 110 N -3.21 3.77 0.92 4.72 0.52 -0.76 -4.75 118.95 120.16 2tbd s ARG 110 Ca 0.07 0.21 -0.15 0.00 -0.52 0.00 0.00 55.73 55.34 2tbd s ARG 110 Cb 0.08 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.40 2tbd s ARG 110 CO 0.68 0.64 -0.04 -0.40 0.02 0.00 0.00 175.30 176.20 2tbd n ASP 111 N 1.37 -3.47 0.00 0.23 5.68 -1.26 -1.94 116.55 117.16 2tbd n ASP 111 Ca -0.12 0.32 0.02 0.00 -0.50 0.00 0.00 54.79 54.51 2tbd n ASP 111 Cb 0.53 -1.03 0.09 0.00 -1.14 0.00 0.00 41.12 39.56 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2tbd n PRO 112 N 0.04 0.99 -2.88 0.11 -0.04 -1.26 -5.01 135.00 126.95 2tbd n PRO 112 Ca 0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.07 2tbd n PRO 112 Cb 0.54 -1.05 -0.05 0.00 -0.04 0.00 0.00 33.50 32.90 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 -2.00 2.92 0.54 0.54 0.08 -0.82 -4.59 117.98 114.65 2tbd s PHE 113 Ca 0.05 0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.26 2tbd s PHE 113 Cb 0.02 -3.88 0.01 0.00 -0.57 0.00 0.00 43.02 38.61 2tbd s PHE 113 CO 0.04 -1.12 0.80 -1.12 -0.10 0.00 0.00 175.22 173.72 2tbd s SER 114 N 2.36 5.57 -0.23 1.36 0.01 -0.84 -3.77 113.70 118.16 2tbd s SER 114 Ca 0.32 0.41 -0.06 0.00 1.31 0.00 0.00 55.95 57.94 2tbd s SER 114 Cb -0.12 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 2tbd s SER 114 CO 0.23 -0.98 0.04 -0.69 0.41 0.00 0.00 173.24 172.25 2tbd s VAL 115 N -2.81 4.13 -0.17 3.43 1.01 -1.26 -1.60 120.40 123.14 2tbd s VAL 115 Ca 0.53 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 2tbd s VAL 115 Cb -0.10 -2.90 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 2tbd s VAL 115 CO 0.41 0.38 -0.12 -0.38 0.00 0.00 0.00 175.10 175.40 2tbd n ILE 116 N 4.60 1.46 -3.84 2.22 5.41 -0.43 -4.96 119.36 123.82 2tbd n ILE 116 Ca -0.17 0.12 -0.09 0.00 1.00 0.00 0.00 62.75 63.61 2tbd n ILE 116 Cb 0.52 -2.28 -0.05 0.00 -0.71 0.00 0.00 39.64 37.12 2tbd n ILE 116 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2tbd s GLU 117 N -2.37 1.39 0.17 0.38 0.41 -1.06 -4.99 118.70 112.64 2tbd s GLU 117 Ca -0.21 -1.02 -0.05 0.00 -0.41 0.00 0.00 54.97 53.28 2tbd s GLU 117 Cb 0.04 0.49 0.02 0.00 -1.78 0.00 0.00 34.13 32.90 2tbd s GLU 117 CO 0.35 -0.58 0.32 -0.85 -0.49 0.00 0.00 175.26 174.01 2tbd n GLU 118 N -0.33 0.47 -0.05 1.61 -0.00 -1.26 -0.62 120.64 120.46 2tbd n GLU 118 Ca -0.07 -1.03 0.03 0.00 -0.00 0.00 0.00 57.16 56.09 2tbd n GLU 118 Cb 0.62 1.22 0.06 0.00 -0.00 0.00 0.00 31.44 33.33 2tbd n GLU 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2tbd n SER 119 N -1.36 2.01 -4.09 -1.84 2.88 -0.85 -4.95 113.62 105.42 2tbd n SER 119 Ca -0.03 -1.62 -0.18 0.00 -1.33 0.00 0.00 58.87 55.71 2tbd n SER 119 Cb 0.26 -0.06 -0.13 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.75 2.17 0.08 2.46 1.43 -1.26 -4.95 118.68 117.85 2tbd s LEU 120 Ca 0.10 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 2tbd s LEU 120 Cb 0.06 -0.45 -0.25 0.00 0.03 0.00 0.00 46.19 45.58 2tbd s LEU 120 CO 0.08 -0.02 1.16 1.55 0.23 0.00 0.00 176.35 179.36 2tbd h PRO 121 N 5.00 0.35 0.00 1.29 0.13 -2.03 -3.32 132.00 133.43 2tbd h PRO 121 Ca -0.36 -0.53 -0.15 0.00 -0.87 0.00 0.00 66.00 64.09 2tbd h PRO 121 Cb 1.19 0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 2tbd h PRO 121 CO 0.44 1.23 -1.67 0.41 -0.23 0.00 0.00 178.00 178.18 2tbd n GLY 122 N 1.41 -1.15 0.63 1.56 0.00 -1.26 -5.09 105.19 101.29 2tbd n GLY 122 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.40 -3.02 3.16 -0.02 0.00 -1.25 -4.95 105.19 100.51 2tbd n GLY 123 Ca -0.12 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 2tbd n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2tbd n LEU 124 N 0.00 -2.65 0.00 0.99 4.32 -1.26 -4.85 117.00 113.55 2tbd n LEU 124 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 2tbd n LEU 124 Cb 0.00 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 2tbd n LEU 124 CO 0.00 -2.90 0.00 0.29 -1.22 0.00 0.00 177.39 173.56 2tbd n LYS 125 N -0.12 0.00 -0.88 3.23 4.76 -1.26 -4.91 118.16 118.98 2tbd n LYS 125 Ca -0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 2tbd n LYS 125 Cb 0.68 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.95 2tbd n LYS 125 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2tbd n GLU 126 N 0.00 1.90 0.00 1.97 0.28 -1.26 -4.56 120.64 118.97 2tbd n GLU 126 Ca 0.00 -1.94 0.00 0.00 -0.16 0.00 0.00 57.16 55.06 2tbd n GLU 126 Cb 0.00 -1.76 0.00 0.00 1.43 0.00 0.00 31.44 31.11 2tbd n GLU 126 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2tbd n HIS 127 N -0.28 0.00 -0.87 -1.84 -0.00 -1.26 -4.65 115.22 106.32 2tbd n HIS 127 Ca 0.38 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.98 2tbd n HIS 127 Cb 0.94 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.90 2tbd n HIS 127 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2tbd n ASP 128 N 0.00 5.89 0.00 0.41 -0.08 -1.26 -4.42 116.55 117.09 2tbd n ASP 128 Ca 0.00 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.51 2tbd n ASP 128 Cb 0.00 -1.17 0.00 0.00 2.34 0.00 0.00 41.12 42.29 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2tbd n PHE 129 N 1.19 0.00 0.16 -0.67 3.01 -1.26 -4.90 117.46 114.98 2tbd n PHE 129 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.71 2tbd n PHE 129 Cb 0.61 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 2tbd n PHE 129 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2tbd n ASN 130 N -1.70 -2.79 -3.65 4.37 4.13 -1.26 -5.00 115.26 109.36 2tbd n ASN 130 Ca 0.00 0.61 -0.28 0.00 1.68 0.00 0.00 54.58 56.59 2tbd n ASN 130 Cb 0.00 2.75 0.21 0.00 -1.54 0.00 0.00 39.78 41.21 2tbd n ASN 130 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2tbd n PRO 131 N -3.12 -2.03 -3.01 3.52 -0.04 -1.26 -5.10 135.00 123.95 2tbd n PRO 131 Ca 0.00 -1.80 -0.10 0.00 -0.04 0.00 0.00 63.50 61.56 2tbd n PRO 131 Cb 0.00 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 2tbd n PRO 131 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2tbd n GLU 132 N -4.09 0.72 -0.04 0.54 0.28 -1.26 -4.73 120.64 112.07 2tbd n GLU 132 Ca 0.15 -1.46 -0.14 0.00 -0.16 0.00 0.00 57.16 55.55 2tbd n GLU 132 Cb 0.55 0.83 -0.02 0.00 1.43 0.00 0.00 31.44 34.23 2tbd n GLU 132 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2tbd h SER 133 N 0.71 0.85 0.00 -1.84 0.87 -1.98 -3.49 113.55 108.67 2tbd h SER 133 Ca -0.13 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2tbd h SER 133 Cb 0.51 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2tbd h SER 133 CO 0.21 1.27 0.00 -0.24 -0.53 0.00 0.00 176.83 177.53