#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd s SER 2 N 0.00 4.37 0.49 1.61 0.01 -1.26 -5.11 113.70 113.82 2tbd s SER 2 Ca 0.00 -0.95 0.07 0.00 1.31 0.00 0.00 55.95 56.38 2tbd s SER 2 Cb 0.00 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.59 2tbd s SER 2 CO 0.00 -0.15 0.44 -0.54 0.41 0.00 0.00 173.24 173.41 2tbd s LYS 3 N 1.30 2.38 0.25 12.44 1.02 -1.26 -5.04 119.74 130.83 2tbd s LYS 3 Ca -0.01 -1.76 -0.27 0.00 0.02 0.00 0.00 55.97 53.95 2tbd s LYS 3 Cb -0.17 -2.29 -0.16 0.00 -0.52 0.00 0.00 37.83 34.69 2tbd s LYS 3 CO -0.04 -0.46 0.55 1.55 -0.92 0.00 0.00 175.35 176.03 2tbd n VAL 4 N -1.73 1.85 1.25 3.17 3.14 -1.26 -4.76 118.33 120.00 2tbd n VAL 4 Ca 0.03 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 61.02 2tbd n VAL 4 Cb 0.63 -0.18 0.61 0.00 -1.06 0.00 0.00 33.84 33.84 2tbd n VAL 4 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2tbd n GLU 5 N 0.97 0.57 -2.33 1.45 2.13 -1.26 -4.77 120.64 117.39 2tbd n GLU 5 Ca 0.16 0.03 -0.26 0.00 0.66 0.00 0.00 57.16 57.75 2tbd n GLU 5 Cb 0.28 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.54 2tbd n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2tbd s ASP 6 N -2.18 5.19 -0.68 4.31 1.01 -1.26 -4.99 116.67 118.07 2tbd s ASP 6 Ca 0.29 0.51 -0.27 0.00 0.71 0.00 0.00 52.55 53.79 2tbd s ASP 6 Cb 0.15 -1.33 0.02 0.00 1.01 0.00 0.00 42.92 42.76 2tbd s ASP 6 CO 0.27 -1.32 1.39 -2.16 0.21 0.00 0.00 175.17 173.56 2tbd s PRO 7 N -5.08 3.14 0.00 8.23 0.04 -1.26 -4.83 135.00 135.23 2tbd s PRO 7 Ca 0.57 0.05 0.25 0.00 0.04 0.00 0.00 61.00 61.91 2tbd s PRO 7 Cb -0.11 -4.19 0.50 0.00 0.04 0.00 0.00 34.50 30.74 2tbd s PRO 7 CO 0.44 -2.18 1.41 1.17 0.04 0.00 0.00 177.00 177.88 2tbd n LYS 8 N 9.16 0.06 -4.20 4.56 3.00 -1.26 -4.90 118.16 124.59 2tbd n LYS 8 Ca 0.08 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.31 58.23 2tbd n LYS 8 Cb 0.50 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.93 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2tbd s ASP 9 N -2.96 1.40 0.99 3.14 1.11 -1.26 -4.76 116.67 114.33 2tbd s ASP 9 Ca 0.12 -0.98 -0.17 0.00 0.18 0.00 0.00 52.55 51.70 2tbd s ASP 9 Cb 0.18 0.05 -0.09 0.00 1.07 0.00 0.00 42.92 44.12 2tbd s ASP 9 CO 0.69 -0.39 -0.51 0.49 1.18 0.00 0.00 175.17 176.63 2tbd n PHE 10 N -0.01 -3.62 -2.62 4.23 3.72 -1.26 -4.87 117.46 113.03 2tbd n PHE 10 Ca -0.12 0.11 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 2tbd n PHE 10 Cb 0.60 -1.53 -0.05 0.00 -0.94 0.00 0.00 39.48 37.57 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 -2.52 4.72 0.36 -1.08 0.04 -1.26 -4.88 135.00 130.37 2tbd s PRO 11 Ca 0.45 1.62 0.10 0.00 0.04 0.00 0.00 61.00 63.21 2tbd s PRO 11 Cb -0.16 -3.27 0.85 0.00 0.04 0.00 0.00 34.50 31.96 2tbd s PRO 11 CO 0.76 0.29 1.85 0.66 0.04 0.00 0.00 177.00 180.60 2tbd h SER 12 N 4.50 0.64 -0.94 6.66 4.64 -1.96 0.32 113.55 127.41 2tbd h SER 12 Ca -0.45 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 60.96 2tbd h SER 12 Cb 1.21 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.17 2tbd h SER 12 CO 0.69 0.29 0.61 -0.08 -0.87 0.00 0.00 176.83 177.47 2tbd h GLU 13 N 0.66 1.14 -0.01 4.77 4.81 -2.02 -0.68 114.58 123.24 2tbd h GLU 13 Ca 0.48 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2tbd h GLU 13 Cb 0.84 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2tbd h GLU 13 CO -0.23 0.75 -0.14 1.28 -0.73 0.00 0.00 179.01 179.94 2tbd n LEU 14 N -4.50 1.49 -0.18 1.64 4.77 0.25 -3.82 117.00 116.66 2tbd n LEU 14 Ca 0.13 -0.47 0.04 0.00 -0.03 0.00 0.00 56.01 55.67 2tbd n LEU 14 Cb 0.10 -0.05 0.15 0.00 -2.33 0.00 0.00 43.42 41.30 2tbd n LEU 14 CO 0.34 0.26 0.61 0.18 -1.33 0.00 0.00 177.39 177.45 2tbd n LEU 15 N -0.05 0.52 0.08 2.23 4.77 0.89 -3.33 117.00 122.11 2tbd n LEU 15 Ca 0.15 -0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.00 2tbd n LEU 15 Cb 0.38 -0.06 0.24 0.00 -2.33 0.00 0.00 43.42 41.66 2tbd n LEU 15 CO 0.21 0.13 0.53 0.28 -1.33 0.00 0.00 177.39 177.21 2tbd h SER 16 N 0.60 0.00 -1.51 -1.43 0.02 -1.66 -3.40 113.55 106.17 2tbd h SER 16 Ca 0.00 -0.13 -0.40 0.00 -0.84 0.00 0.00 61.79 60.42 2tbd h SER 16 Cb 0.14 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.39 2tbd h SER 16 CO 0.00 0.06 -0.80 2.22 -1.14 0.00 0.00 176.83 177.18 2tbd n PHE 17 N -2.23 -2.00 -4.42 3.45 1.16 -1.21 -5.13 117.46 107.09 2tbd n PHE 17 Ca 0.04 -2.58 -0.22 0.00 -1.87 0.00 0.00 57.45 52.82 2tbd n PHE 17 Cb 0.44 0.67 -0.06 0.00 -1.61 0.00 0.00 39.48 38.92 2tbd n PHE 17 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2tbd n LEU 18 N 2.33 0.00 -0.09 5.98 4.77 -1.26 -4.67 117.00 124.06 2tbd n LEU 18 Ca 0.21 -2.78 -0.22 0.00 -0.03 0.00 0.00 56.01 53.19 2tbd n LEU 18 Cb 0.54 0.99 -0.12 0.00 -2.33 0.00 0.00 43.42 42.50 2tbd n LEU 18 CO 0.07 -0.43 -0.59 -0.24 -1.33 0.00 0.00 177.39 174.87 2tbd n SER 19 N -1.62 1.91 -2.93 -1.43 2.88 -0.90 -4.76 113.62 106.76 2tbd n SER 19 Ca -0.04 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.76 2tbd n SER 19 Cb 0.54 -0.95 0.06 0.00 -0.75 0.00 0.00 64.21 63.12 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2tbd n HIS 20 N -4.28 -1.91 -3.57 0.66 -0.00 -1.26 -5.01 115.22 99.85 2tbd n HIS 20 Ca -0.33 0.72 -0.05 0.00 -0.00 0.00 0.00 57.72 58.06 2tbd n HIS 20 Cb 0.75 -4.06 -0.02 0.00 -0.00 0.00 0.00 29.99 26.66 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 -3.31 -2.00 0.00 -1.41 0.00 -1.26 -5.08 121.76 108.71 2tbd s ALA 21 Ca 0.24 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2tbd s ALA 21 Cb -0.03 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2tbd s ALA 21 CO 0.59 -0.64 0.00 0.28 0.00 0.00 0.00 175.76 175.99 2tbd n VAL 22 N -0.15 0.00 -1.38 0.00 0.31 -1.26 -4.62 118.33 111.23 2tbd n VAL 22 Ca -0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.12 2tbd n VAL 22 Cb 0.59 -0.24 0.16 0.00 -0.91 0.00 0.00 33.84 33.45 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 -1.94 2.34 -1.50 3.52 3.01 -1.26 -1.24 117.46 120.38 2tbd n PHE 23 Ca 0.00 -1.95 -0.31 0.00 1.01 0.00 0.00 57.45 56.20 2tbd n PHE 23 Cb 0.20 -0.81 0.07 0.00 -0.01 0.00 0.00 39.48 38.92 2tbd n PHE 23 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2tbd s SER 24 N -1.98 4.99 0.24 4.37 0.15 -1.26 -5.01 113.70 115.20 2tbd s SER 24 Ca 0.53 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.78 2tbd s SER 24 Cb 0.45 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2tbd s SER 24 CO 0.05 -1.69 0.00 0.59 1.20 0.00 0.00 173.24 173.39 2tbd n ASN 25 N -3.28 0.00 -1.11 5.45 3.02 -1.26 -4.66 115.26 113.42 2tbd n ASN 25 Ca 0.08 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2tbd n ASN 25 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 2tbd n ASN 25 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2tbd n ARG 26 N -0.24 -2.99 -3.48 3.52 0.63 -1.26 -4.80 116.66 108.04 2tbd n ARG 26 Ca 0.00 2.29 -0.43 0.00 -0.92 0.00 0.00 57.85 58.80 2tbd n ARG 26 Cb 0.00 -2.78 -0.09 0.00 0.45 0.00 0.00 32.46 30.04 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2tbd s THR 27 N -4.47 4.77 0.35 5.15 -4.23 -1.26 -4.49 115.64 111.47 2tbd s THR 27 Ca 0.00 -1.25 -0.08 0.00 -1.18 0.00 0.00 61.69 59.18 2tbd s THR 27 Cb 0.00 -3.90 -0.06 0.00 1.34 0.00 0.00 72.50 69.89 2tbd s THR 27 CO 0.00 -0.57 0.67 -0.22 -0.54 0.00 0.00 174.62 173.96 2tbd s LEU 28 N 1.54 3.94 0.00 4.79 2.96 0.22 -4.37 118.68 127.76 2tbd s LEU 28 Ca 0.04 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 2tbd s LEU 28 Cb -0.24 -3.79 0.00 0.00 0.50 0.00 0.00 46.19 42.66 2tbd s LEU 28 CO 0.04 -0.30 0.51 0.00 -1.32 0.00 0.00 176.35 175.29 2tbd n ALA 29 N -1.11 1.61 -2.41 5.97 0.00 -1.26 -1.14 120.51 122.17 2tbd n ALA 29 Ca 0.01 -0.51 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 2tbd n ALA 29 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.51 0.02 -0.09 0.00 0.40 -1.04 -2.48 117.98 114.28 2tbd s PHE 31 Ca 0.07 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2tbd s PHE 31 Cb -0.10 0.24 0.02 0.00 0.51 0.00 0.00 43.02 43.68 2tbd s PHE 31 CO -0.00 -0.82 -0.08 0.00 0.70 0.00 0.00 175.22 175.02 2tbd s ALA 32 N -3.89 1.17 -0.83 5.36 0.00 -0.71 -2.55 121.76 120.31 2tbd s ALA 32 Ca 0.10 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 2tbd s ALA 32 Cb 0.01 -0.72 0.22 0.00 0.00 0.00 0.00 23.12 22.62 2tbd s ALA 32 CO -0.04 -0.19 0.77 0.42 0.00 0.00 0.00 175.76 176.72 2tbd s ILE 33 N 1.28 5.51 -0.56 0.00 -1.09 -0.65 -1.95 121.20 123.74 2tbd s ILE 33 Ca -0.04 -2.57 -0.28 0.00 -2.23 0.00 0.00 60.65 55.53 2tbd s ILE 33 Cb -0.14 -4.40 0.03 0.00 -1.58 0.00 0.00 42.46 36.37 2tbd s ILE 33 CO -0.03 -1.03 1.21 -0.47 -1.23 0.00 0.00 174.94 173.40 2tbd s TYR 34 N 0.05 2.59 0.26 3.97 5.04 -0.87 -1.90 117.35 126.49 2tbd s TYR 34 Ca 0.19 0.46 -0.19 0.00 -2.44 0.00 0.00 57.07 55.09 2tbd s TYR 34 Cb -0.11 -4.50 0.02 0.00 0.35 0.00 0.00 41.96 37.73 2tbd s TYR 34 CO -0.09 -1.60 0.64 0.95 -1.34 0.00 0.00 175.55 174.11 2tbd s THR 35 N 5.02 0.00 0.78 4.34 -4.23 -0.94 -0.87 115.64 119.75 2tbd s THR 35 Ca 0.45 -1.03 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 2tbd s THR 35 Cb -0.08 -1.97 -0.12 0.00 1.34 0.00 0.00 72.50 71.68 2tbd s THR 35 CO 0.26 -0.01 -0.24 0.35 -0.54 0.00 0.00 174.62 174.44 2tbd n THR 36 N -0.43 0.34 -0.28 3.99 -2.24 -1.26 -1.88 114.28 112.52 2tbd n THR 36 Ca -0.04 -0.46 -0.03 0.00 -2.27 0.00 0.00 64.05 61.24 2tbd n THR 36 Cb 0.60 -0.18 0.12 0.00 -2.10 0.00 0.00 70.33 68.77 2tbd n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2tbd h LYS 37 N -0.59 1.14 0.00 -0.78 2.10 -1.87 -1.29 116.57 115.28 2tbd h LYS 37 Ca -0.43 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 2tbd h LYS 37 Cb 1.36 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2tbd h LYS 37 CO 0.34 0.87 0.16 1.49 -2.00 0.00 0.00 179.45 180.30 2tbd h GLU 38 N 1.14 0.00 0.00 0.07 4.81 -2.00 -1.69 114.58 116.90 2tbd h GLU 38 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2tbd h GLU 38 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2tbd h GLU 38 CO -0.04 0.00 -0.46 1.63 -0.73 0.00 0.00 179.01 179.41 2tbd n LYS 39 N -2.82 0.29 -0.13 1.92 4.01 -0.52 -3.89 118.16 117.02 2tbd n LYS 39 Ca -0.02 0.25 0.27 0.00 -0.51 0.00 0.00 58.31 58.30 2tbd n LYS 39 Cb 0.21 -1.16 0.60 0.00 -0.51 0.00 0.00 35.03 34.17 2tbd n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2tbd h ALA 40 N -1.41 2.70 -0.14 7.82 0.00 -1.41 0.52 119.26 127.34 2tbd h ALA 40 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2tbd h ALA 40 Cb 0.46 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2tbd h ALA 40 CO 0.00 -1.35 -0.19 0.00 0.00 0.00 0.00 179.25 177.70 2tbd h ALA 41 N 0.99 0.21 -0.29 0.00 0.00 -1.48 0.62 119.26 119.31 2tbd h ALA 41 Ca 0.41 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2tbd h ALA 41 Cb 2.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 2tbd h ALA 41 CO -0.00 0.14 -0.03 -0.07 0.00 0.00 0.00 179.25 179.29 2tbd h LEU 42 N -0.02 0.52 -1.33 0.00 3.38 -0.11 -2.66 115.31 115.09 2tbd h LEU 42 Ca 0.02 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 2tbd h LEU 42 Cb 0.75 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2tbd h LEU 42 CO 0.05 0.73 -0.27 -0.07 0.09 0.00 0.00 178.44 178.97 2tbd h LEU 43 N 0.30 0.00 0.41 1.67 3.38 -1.37 -1.62 115.31 118.08 2tbd h LEU 43 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2tbd h LEU 43 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2tbd h LEU 43 CO 0.02 0.27 -0.20 0.22 0.09 0.00 0.00 178.44 178.84 2tbd h TYR 44 N 0.00 -0.51 -0.25 1.13 5.03 -0.54 0.15 116.97 121.98 2tbd h TYR 44 Ca -0.00 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.22 2tbd h TYR 44 Cb 0.65 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 2tbd h TYR 44 CO 0.00 -0.20 -0.16 -0.22 -1.32 0.00 0.00 178.16 176.26 2tbd h LYS 45 N -0.79 0.43 0.00 1.82 1.63 -1.43 -1.83 116.57 116.40 2tbd h LYS 45 Ca -0.06 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2tbd h LYS 45 Cb 0.54 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2tbd h LYS 45 CO 0.09 0.58 0.00 1.63 -3.45 0.00 0.00 179.45 178.30 2tbd n LYS 46 N -4.19 0.00 -0.21 1.90 5.02 -0.62 -3.47 118.16 116.59 2tbd n LYS 46 Ca 0.00 0.20 0.30 0.00 -2.02 0.00 0.00 58.31 56.79 2tbd n LYS 46 Cb 0.33 -0.87 0.56 0.00 -0.02 0.00 0.00 35.03 35.03 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 0.09 -0.81 -0.18 2.04 -0.82 -1.04 117.51 116.79 2tbd h ILE 47 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 2tbd h ILE 47 Cb 0.00 0.16 -0.14 0.00 -0.74 0.00 0.00 36.82 36.10 2tbd h ILE 47 CO 0.00 0.00 -0.36 -0.03 0.00 0.00 0.00 178.15 177.76 2tbd h MET 48 N 0.00 -0.07 0.00 2.37 4.05 -1.36 -0.46 114.93 119.46 2tbd h MET 48 Ca 0.48 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.62 2tbd h MET 48 Cb 2.61 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 33.37 2tbd h MET 48 CO -0.01 -0.05 -2.11 -1.91 0.23 0.00 0.00 176.91 173.07 2tbd n GLU 49 N -5.46 1.26 0.30 0.39 2.13 -0.45 -2.59 120.64 116.22 2tbd n GLU 49 Ca 0.08 -0.02 0.20 0.00 0.66 0.00 0.00 57.16 58.08 2tbd n GLU 49 Cb 0.38 -1.42 1.02 0.00 0.27 0.00 0.00 31.44 31.69 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2tbd h LYS 50 N 0.00 0.00 0.00 5.31 3.64 -1.23 -2.92 116.57 121.38 2tbd h LYS 50 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2tbd h LYS 50 Cb 1.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.76 2tbd h LYS 50 CO 0.02 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 2tbd n TYR 51 N -2.93 0.00 -4.22 1.91 4.02 -0.20 -4.99 117.16 110.75 2tbd n TYR 51 Ca -0.02 -0.06 -0.36 0.00 -0.01 0.00 0.00 57.90 57.45 2tbd n TYR 51 Cb 0.11 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 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 -0.06 -2.89 -4.06 7.72 7.64 -1.07 -4.12 113.62 116.78 2tbd n SER 52 Ca 0.00 -1.03 -0.58 0.00 1.01 0.00 0.00 58.87 58.27 2tbd n SER 52 Cb 0.29 -2.69 -0.10 0.00 -1.01 0.00 0.00 64.21 60.70 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 -4.37 0.00 0.32 0.44 0.24 -1.17 -4.50 118.33 109.29 2tbd n VAL 53 Ca 0.04 0.00 0.20 0.00 -2.04 0.00 0.00 64.34 62.54 2tbd n VAL 53 Cb 0.51 -0.45 1.11 0.00 -1.47 0.00 0.00 33.84 33.54 2tbd n VAL 53 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2tbd h THR 54 N 5.14 0.14 -1.81 3.34 2.02 -1.82 -3.39 112.91 116.53 2tbd h THR 54 Ca -0.28 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.00 2tbd h THR 54 Cb 1.24 0.97 -0.21 0.00 -1.74 0.00 0.00 68.15 68.40 2tbd h THR 54 CO 0.91 0.00 -0.04 0.12 0.37 0.00 0.00 175.52 176.88 2tbd s PHE 55 N -4.28 -1.19 -0.26 3.16 5.36 -1.26 -4.93 117.98 114.57 2tbd s PHE 55 Ca -0.05 2.09 0.00 0.00 -0.96 0.00 0.00 56.93 58.02 2tbd s PHE 55 Cb 0.13 0.72 0.08 0.00 -0.34 0.00 0.00 43.02 43.60 2tbd s PHE 55 CO 0.44 -0.59 0.01 -1.50 -1.46 0.00 0.00 175.22 172.12 2tbd s ILE 56 N 2.69 1.32 0.40 3.12 2.07 -1.26 -2.41 121.20 127.13 2tbd s ILE 56 Ca -0.06 -1.33 0.08 0.00 -1.41 0.00 0.00 60.65 57.93 2tbd s ILE 56 Cb -0.10 -1.78 -0.05 0.00 0.13 0.00 0.00 42.46 40.66 2tbd s ILE 56 CO -0.19 -0.34 0.17 -0.94 -1.91 0.00 0.00 174.94 171.73 2tbd s SER 57 N 1.45 4.45 -0.12 4.50 1.04 -0.55 -2.29 113.70 122.18 2tbd s SER 57 Ca 0.01 -1.03 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 2tbd s SER 57 Cb -0.18 -0.51 0.05 0.00 0.10 0.00 0.00 66.02 65.48 2tbd s SER 57 CO -0.12 -0.50 0.10 -0.60 0.98 0.00 0.00 173.24 173.11 2tbd s ARG 58 N -3.89 0.03 0.51 4.02 3.52 -0.62 -1.44 118.95 121.08 2tbd s ARG 58 Ca 0.40 0.18 0.02 0.00 -0.13 0.00 0.00 55.73 56.21 2tbd s ARG 58 Cb 0.03 -1.14 -0.01 0.00 -1.56 0.00 0.00 34.95 32.27 2tbd s ARG 58 CO 0.22 -0.51 0.06 -1.01 -0.81 0.00 0.00 175.30 173.25 2tbd s HIS 59 N 2.19 1.86 -0.18 5.12 3.76 -0.98 -2.08 115.29 124.97 2tbd s HIS 59 Ca 0.04 -0.93 -0.00 0.00 -0.15 0.00 0.00 55.06 54.01 2tbd s HIS 59 Cb -0.14 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 31.89 2tbd s HIS 59 CO -0.07 0.14 -0.14 -0.80 -0.85 0.00 0.00 174.74 173.02 2tbd s ASN 60 N -3.93 3.59 0.00 1.40 0.02 -0.35 -1.42 114.94 114.25 2tbd s ASN 60 Ca 0.10 -0.53 0.00 0.00 -1.02 0.00 0.00 52.86 51.41 2tbd s ASN 60 Cb 0.01 -1.57 0.00 0.00 0.02 0.00 0.00 41.25 39.71 2tbd s ASN 60 CO 0.06 0.02 0.00 -1.54 0.02 0.00 0.00 177.10 175.66 2tbd n SER 61 N 4.51 0.00 0.02 -1.22 3.41 -0.88 -1.88 113.62 117.58 2tbd n SER 61 Ca -0.20 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2tbd n SER 61 Cb 0.51 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.52 -0.52 0.68 7.33 4.02 -1.26 -4.67 117.16 121.22 2tbd n TYR 62 Ca 0.00 0.08 0.09 0.00 -0.01 0.00 0.00 57.90 58.06 2tbd n TYR 62 Cb 0.00 0.54 -0.11 0.00 -0.02 0.00 0.00 39.34 39.75 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 -2.65 0.83 -0.36 7.72 3.02 -1.26 -5.02 115.26 117.54 2tbd n ASN 63 Ca 0.00 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 2tbd n ASN 63 Cb 0.00 1.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.32 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 -1.55 -0.04 -4.34 3.10 8.25 -1.26 -4.82 115.22 114.55 2tbd n HIS 64 Ca 0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.19 2tbd n HIS 64 Cb 0.31 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.30 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 0.35 3.64 -0.43 0.41 0.02 -0.79 -2.07 114.94 116.07 2tbd s ASN 65 Ca 0.00 -0.65 -0.17 0.00 -1.02 0.00 0.00 52.86 51.02 2tbd s ASN 65 Cb 0.00 -0.40 0.03 0.00 0.02 0.00 0.00 41.25 40.90 2tbd s ASN 65 CO 0.00 0.17 0.44 -0.63 0.02 0.00 0.00 177.10 177.10 2tbd s ILE 66 N -1.14 5.10 0.17 0.60 1.09 -0.51 -2.21 121.20 124.30 2tbd s ILE 66 Ca 0.17 -0.48 -0.26 0.00 -1.10 0.00 0.00 60.65 58.98 2tbd s ILE 66 Cb -0.10 -4.06 -0.08 0.00 -1.06 0.00 0.00 42.46 37.16 2tbd s ILE 66 CO 0.08 -0.47 0.78 -0.22 -0.10 0.00 0.00 174.94 175.02 2tbd s LEU 67 N 2.08 4.60 -0.06 2.97 2.96 -0.80 -2.32 118.68 128.11 2tbd s LEU 67 Ca 0.11 1.66 0.05 0.00 -0.22 0.00 0.00 54.13 55.72 2tbd s LEU 67 Cb -0.18 -3.31 -0.00 0.00 0.50 0.00 0.00 46.19 43.19 2tbd s LEU 67 CO 0.12 0.21 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.80 2tbd s PHE 68 N -1.13 2.01 -0.30 5.38 0.40 -0.52 -1.64 117.98 122.19 2tbd s PHE 68 Ca 0.36 -0.63 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 2tbd s PHE 68 Cb -0.23 -1.35 0.16 0.00 0.51 0.00 0.00 43.02 42.11 2tbd s PHE 68 CO 0.26 -0.22 0.75 -0.59 0.70 0.00 0.00 175.22 176.13 2tbd s PHE 69 N 0.05 -1.19 0.33 0.36 -0.71 -1.06 -1.48 117.98 114.29 2tbd s PHE 69 Ca -0.06 1.72 0.00 0.00 -1.04 0.00 0.00 56.93 57.55 2tbd s PHE 69 Cb -0.13 0.59 0.06 0.00 -1.21 0.00 0.00 43.02 42.33 2tbd s PHE 69 CO 0.04 -0.62 0.45 1.28 -1.34 0.00 0.00 175.22 175.03 2tbd n LEU 70 N 5.34 0.00 -3.69 -1.99 4.77 -1.01 -2.51 117.00 117.91 2tbd n LEU 70 Ca -0.08 -0.97 -0.14 0.00 -0.03 0.00 0.00 56.01 54.80 2tbd n LEU 70 Cb 0.51 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 2tbd n LEU 70 CO -0.03 -0.71 0.18 0.42 -1.33 0.00 0.00 177.39 175.92 2tbd s THR 71 N -1.23 0.01 0.14 -5.08 -4.23 0.20 -3.81 115.64 101.65 2tbd s THR 71 Ca 0.30 -0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 2tbd s THR 71 Cb -0.02 -0.71 -0.19 0.00 1.34 0.00 0.00 72.50 72.92 2tbd s THR 71 CO 0.20 -0.04 1.31 1.55 -0.54 0.00 0.00 174.62 177.09 2tbd h PRO 72 N 4.84 0.18 0.00 3.99 0.13 -1.79 -3.44 132.00 135.91 2tbd h PRO 72 Ca -0.28 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2tbd h PRO 72 Cb 1.17 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2tbd h PRO 72 CO 0.25 1.02 0.00 -2.39 -0.23 0.00 0.00 178.00 176.65 2tbd n HIS 73 N -3.58 -0.72 -4.16 1.56 1.44 -1.26 -5.09 115.22 103.41 2tbd n HIS 73 Ca -0.04 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.52 2tbd n HIS 73 Cb 0.88 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.86 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 -0.08 0.57 0.06 -1.40 0.52 -1.26 -4.57 118.95 112.80 2tbd s ARG 74 Ca 0.00 -0.54 -0.25 0.00 -0.52 0.00 0.00 55.73 54.42 2tbd s ARG 74 Cb 0.00 -0.47 0.06 0.00 0.52 0.00 0.00 34.95 35.06 2tbd s ARG 74 CO 0.00 0.11 0.60 -1.01 0.02 0.00 0.00 175.30 175.02 2tbd s HIS 75 N -0.80 -0.53 0.21 -0.53 3.76 -0.29 -4.94 115.29 112.16 2tbd s HIS 75 Ca -0.03 0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 55.18 2tbd s HIS 75 Cb -0.07 0.45 -0.08 0.00 1.11 0.00 0.00 32.58 33.99 2tbd s HIS 75 CO 0.00 -0.72 1.05 1.03 -0.85 0.00 0.00 174.74 175.26 2tbd s ARG 76 N -2.61 4.67 0.62 1.40 0.52 -1.26 0.72 118.95 123.00 2tbd s ARG 76 Ca -0.04 1.66 0.22 0.00 -0.52 0.00 0.00 55.73 57.06 2tbd s ARG 76 Cb -0.01 -3.27 0.99 0.00 0.52 0.00 0.00 34.95 33.18 2tbd s ARG 76 CO -0.03 0.21 1.49 0.28 0.02 0.00 0.00 175.30 177.27 2tbd h VAL 77 N 3.49 0.09 -0.03 3.52 2.07 -1.80 0.52 116.25 124.12 2tbd h VAL 77 Ca -0.45 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2tbd h VAL 77 Cb 1.21 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2tbd h VAL 77 CO 0.70 0.00 -0.03 0.77 0.02 0.00 0.00 177.57 179.03 2tbd h SER 78 N 0.00 0.07 0.29 0.57 4.64 -1.49 0.39 113.55 118.02 2tbd h SER 78 Ca 0.25 -0.51 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2tbd h SER 78 Cb 1.97 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 64.03 2tbd h SER 78 CO -0.00 0.57 -0.22 0.00 -0.87 0.00 0.00 176.83 176.31 2tbd h ALA 79 N 0.50 -0.49 0.00 5.18 0.00 -0.27 0.21 119.26 124.39 2tbd h ALA 79 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2tbd h ALA 79 Cb 0.55 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2tbd h ALA 79 CO 0.01 -0.80 -0.11 0.82 0.00 0.00 0.00 179.25 179.17 2tbd h ILE 80 N -0.51 0.53 0.00 0.00 1.08 -1.52 -0.36 117.51 116.72 2tbd h ILE 80 Ca -0.02 -0.53 -0.06 0.00 -0.39 0.00 0.00 64.86 63.86 2tbd h ILE 80 Cb 0.45 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 2tbd h ILE 80 CO -0.01 0.11 -0.28 -1.13 -0.69 0.00 0.00 178.15 176.16 2tbd h ASN 81 N 0.00 0.00 0.89 1.72 -1.24 0.14 -2.58 115.58 114.51 2tbd h ASN 81 Ca -0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 2tbd h ASN 81 Cb 0.34 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 2tbd h ASN 81 CO 0.01 0.28 -0.38 -0.55 -1.29 0.00 0.00 177.43 175.50 2tbd h ASN 82 N 0.00 0.00 0.02 1.15 -1.07 0.11 -0.01 115.58 115.79 2tbd h ASN 82 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 2tbd h ASN 82 Cb 0.92 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.17 2tbd h ASN 82 CO 0.04 0.38 -0.01 0.22 0.07 0.00 0.00 177.43 178.13 2tbd h TYR 83 N 0.00 -0.03 -0.98 4.14 3.20 -1.42 -1.24 116.97 120.64 2tbd h TYR 83 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2tbd h TYR 83 Cb 0.93 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.15 2tbd h TYR 83 CO 0.00 -0.02 0.64 0.00 -1.64 0.00 0.00 178.16 177.14 2tbd h ALA 84 N -1.51 1.41 -0.13 1.82 0.00 -1.60 -1.15 119.26 118.09 2tbd h ALA 84 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2tbd h ALA 84 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2tbd h ALA 84 CO 0.01 0.47 -0.44 0.37 0.00 0.00 0.00 179.25 179.65 2tbd h GLN 85 N 1.18 0.32 0.00 0.00 5.75 -1.13 -2.01 115.11 119.22 2tbd h GLN 85 Ca 0.41 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2tbd h GLN 85 Cb 0.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.66 2tbd h GLN 85 CO -0.15 0.71 0.04 0.87 -2.65 0.00 0.00 178.83 177.66 2tbd h LYS 86 N 0.27 0.00 -1.29 1.69 1.79 0.06 -1.02 116.57 118.06 2tbd h LYS 86 Ca 0.02 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.83 2tbd h LYS 86 Cb 0.89 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.27 2tbd h LYS 86 CO 0.07 0.00 0.86 1.28 -1.08 0.00 0.00 179.45 180.58 2tbd n LEU 87 N -2.70 7.52 -0.03 2.94 4.77 -0.75 -4.24 117.00 124.51 2tbd n LEU 87 Ca -0.02 -4.30 0.03 0.00 -0.03 0.00 0.00 56.01 51.69 2tbd n LEU 87 Cb 0.09 -1.02 0.04 0.00 -2.33 0.00 0.00 43.42 40.21 2tbd n LEU 87 CO 0.15 1.51 0.52 0.00 -1.33 0.00 0.00 177.39 178.24 2tbd n THR 89 N -0.76 0.00 -1.64 0.00 5.66 -1.26 -3.99 114.28 112.28 2tbd n THR 89 Ca 0.05 -0.30 0.04 0.00 -3.05 0.00 0.00 64.05 60.79 2tbd n THR 89 Cb 0.36 0.79 0.06 0.00 -1.55 0.00 0.00 70.33 69.99 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 0.37 0.00 0.00 1.09 -1.74 -1.26 -5.09 117.46 110.83 2tbd n PHE 90 Ca 0.16 -0.46 0.00 0.00 -0.56 0.00 0.00 57.45 56.59 2tbd n PHE 90 Cb 0.42 -0.10 0.00 0.00 1.52 0.00 0.00 39.48 41.32 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 -0.58 0.00 -4.71 5.98 7.64 -1.26 -5.12 113.62 115.58 2tbd n SER 91 Ca 0.07 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 2tbd n SER 91 Cb 0.70 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.04 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 2.25 -0.23 1.43 -0.12 -1.26 -4.51 117.98 113.53 2tbd s PHE 92 Ca 0.00 1.30 -0.12 0.00 -0.05 0.00 0.00 56.93 58.06 2tbd s PHE 92 Cb 0.00 -3.16 0.08 0.00 -0.63 0.00 0.00 43.02 39.31 2tbd s PHE 92 CO 0.00 -2.45 0.55 -1.17 -0.05 0.00 0.00 175.22 172.10 2tbd s LEU 93 N -6.27 -0.64 -0.63 -1.99 2.96 -1.26 -4.60 118.68 106.26 2tbd s LEU 93 Ca 0.64 1.24 0.05 0.00 -0.22 0.00 0.00 54.13 55.84 2tbd s LEU 93 Cb -0.18 1.89 0.31 0.00 0.50 0.00 0.00 46.19 48.70 2tbd s LEU 93 CO 0.57 -0.22 0.93 -0.38 -1.32 0.00 0.00 176.35 175.93 2tbd n ILE 94 N 4.56 3.01 -2.96 6.68 5.41 -0.05 -5.02 119.36 131.00 2tbd n ILE 94 Ca -0.19 -5.49 -0.36 0.00 1.00 0.00 0.00 62.75 57.71 2tbd n ILE 94 Cb 0.55 -1.65 -0.06 0.00 -0.71 0.00 0.00 39.64 37.77 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2tbd n LYS 96 N 0.60 0.46 -4.10 0.00 5.02 -0.82 -4.97 118.16 114.35 2tbd n LYS 96 Ca -0.00 -0.90 -0.23 0.00 -2.02 0.00 0.00 58.31 55.16 2tbd n LYS 96 Cb 0.51 1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 36.60 2tbd n LYS 96 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2tbd s GLY 97 N -1.90 1.47 -0.08 0.72 0.00 -1.26 -1.73 107.32 104.53 2tbd s GLY 97 Ca 0.07 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2tbd s GLY 97 CO 0.05 -1.39 -0.06 0.14 0.00 0.00 0.00 173.10 171.84 2tbd s VAL 98 N -2.03 0.75 -0.06 1.40 1.01 -1.03 -2.12 120.40 118.31 2tbd s VAL 98 Ca 0.33 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.19 2tbd s VAL 98 Cb -0.08 -0.79 -0.24 0.00 0.00 0.00 0.00 36.38 35.26 2tbd s VAL 98 CO 0.25 0.30 0.58 0.78 0.00 0.00 0.00 175.10 177.01 2tbd h ASN 99 N 7.76 0.16 -2.22 3.32 2.35 -1.86 -3.39 115.58 121.71 2tbd h ASN 99 Ca -0.29 -0.35 -0.66 0.00 -0.55 0.00 0.00 56.30 54.45 2tbd h ASN 99 Cb 1.14 -0.05 -0.37 0.00 0.05 0.00 0.00 38.32 39.09 2tbd h ASN 99 CO 0.40 1.31 -0.12 0.29 -1.65 0.00 0.00 177.43 177.66 2tbd n LYS 100 N -3.22 3.86 -0.29 0.81 5.02 -1.26 -4.88 118.16 118.20 2tbd n LYS 100 Ca -0.22 -4.75 -0.03 0.00 -2.02 0.00 0.00 58.31 51.30 2tbd n LYS 100 Cb 1.05 -2.31 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 2tbd n LYS 100 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2tbd h GLU 101 N 3.30 -0.08 -0.78 1.97 4.57 -1.92 0.19 114.58 121.82 2tbd h GLU 101 Ca 0.27 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.53 2tbd h GLU 101 Cb 0.46 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.97 2tbd h GLU 101 CO 0.94 -0.05 -0.58 -0.92 -1.18 0.00 0.00 179.01 177.22 2tbd h TYR 102 N -0.08 -1.83 -0.01 0.92 5.03 -1.96 -1.09 116.97 117.94 2tbd h TYR 102 Ca 0.29 0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.71 2tbd h TYR 102 Cb 0.57 0.90 -0.00 0.00 1.55 0.00 0.00 36.73 39.75 2tbd h TYR 102 CO -0.75 -0.41 -0.02 1.25 -1.32 0.00 0.00 178.16 176.90 2tbd h LEU 103 N -0.15 -0.07 -1.81 2.82 7.12 -1.38 0.10 115.31 121.94 2tbd h LEU 103 Ca 0.13 0.01 0.54 0.00 0.13 0.00 0.00 57.88 58.68 2tbd h LEU 103 Cb 0.48 0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 40.55 2tbd h LEU 103 CO -0.81 -0.02 1.29 0.80 -0.13 0.00 0.00 178.44 179.57 2tbd n MET 104 N -2.71 -0.01 -0.03 1.25 1.56 -0.84 0.60 117.12 116.94 2tbd n MET 104 Ca -0.00 1.06 -0.13 0.00 -0.27 0.00 0.00 57.70 58.36 2tbd n MET 104 Cb 0.01 -2.39 -0.11 0.00 2.15 0.00 0.00 33.22 32.89 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 -0.02 -0.31 1.12 5.03 0.42 -1.30 116.97 121.90 2tbd h TYR 105 Ca 0.89 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 62.27 2tbd h TYR 105 Cb 3.49 0.01 -0.06 0.00 1.55 0.00 0.00 36.73 41.72 2tbd h TYR 105 CO -0.00 0.68 -0.10 1.03 -1.32 0.00 0.00 178.16 178.46 2tbd h SER 106 N -0.79 -0.35 0.27 -2.11 0.87 0.12 0.40 113.55 111.97 2tbd h SER 106 Ca -0.00 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2tbd h SER 106 Cb 0.72 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2tbd h SER 106 CO 0.00 -0.13 -0.12 0.00 -0.53 0.00 0.00 176.83 176.06 2tbd h ALA 107 N 1.27 1.41 0.00 6.23 0.00 -1.41 -0.81 119.26 125.95 2tbd h ALA 107 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2tbd h ALA 107 Cb 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2tbd h ALA 107 CO -0.34 0.15 -0.07 -0.07 0.00 0.00 0.00 179.25 178.92 2tbd h LEU 108 N 0.00 0.00 0.00 0.00 3.38 0.88 -3.18 115.31 116.38 2tbd h LEU 108 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2tbd h LEU 108 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2tbd h LEU 108 CO 0.02 0.07 -1.21 0.71 0.09 0.00 0.00 178.44 178.11 2tbd h THR 109 N 0.00 0.74 -3.37 0.22 1.35 0.71 -3.39 112.91 109.16 2tbd h THR 109 Ca -0.00 -2.27 -0.56 0.00 -0.55 0.00 0.00 66.41 63.03 2tbd h THR 109 Cb 0.96 2.25 -0.05 0.00 -1.73 0.00 0.00 68.15 69.58 2tbd h THR 109 CO 0.01 0.42 0.12 0.00 -0.25 0.00 0.00 175.52 175.82 2tbd s ARG 110 N -2.87 4.45 0.98 4.72 1.04 -0.92 -4.76 118.95 121.59 2tbd s ARG 110 Ca -0.01 0.95 -0.16 0.00 -1.04 0.00 0.00 55.73 55.47 2tbd s ARG 110 Cb 0.08 -3.43 -0.10 0.00 -2.04 0.00 0.00 34.95 29.46 2tbd s ARG 110 CO 0.80 0.10 -0.50 -0.40 -0.04 0.00 0.00 175.30 175.26 2tbd n ASP 111 N 3.60 -5.04 -0.32 -2.89 5.75 -1.26 -2.34 116.55 114.05 2tbd n ASP 111 Ca -0.01 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 2tbd n ASP 111 Cb 0.51 -0.87 0.01 0.00 -1.03 0.00 0.00 41.12 39.73 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2tbd n PRO 112 N 1.44 1.05 -2.60 0.11 -0.04 -1.26 -5.03 135.00 128.67 2tbd n PRO 112 Ca 0.00 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 2tbd n PRO 112 Cb 0.55 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.41 2.52 -0.45 0.54 0.08 -0.99 -4.77 117.98 113.50 2tbd s PHE 113 Ca 0.01 0.18 -0.22 0.00 0.12 0.00 0.00 56.93 57.03 2tbd s PHE 113 Cb 0.01 -4.51 0.03 0.00 -0.57 0.00 0.00 43.02 37.98 2tbd s PHE 113 CO 0.00 -1.73 0.72 -1.12 -0.10 0.00 0.00 175.22 172.99 2tbd s SER 114 N 3.24 6.36 0.42 1.36 0.01 -0.79 -4.29 113.70 120.01 2tbd s SER 114 Ca 0.38 -0.27 -0.26 0.00 1.31 0.00 0.00 55.95 57.11 2tbd s SER 114 Cb -0.08 -2.35 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 2tbd s SER 114 CO 0.21 -0.86 1.40 -0.69 0.41 0.00 0.00 173.24 173.71 2tbd s VAL 115 N 3.06 2.23 0.00 3.43 1.01 -1.26 -1.22 120.40 127.65 2tbd s VAL 115 Ca 0.26 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2tbd s VAL 115 Cb -0.13 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2tbd s VAL 115 CO 0.20 0.04 0.00 -0.38 0.00 0.00 0.00 175.10 174.96 2tbd n ILE 116 N 0.06 0.00 -4.17 2.22 5.41 -0.88 -4.84 119.36 117.16 2tbd n ILE 116 Ca 0.04 0.26 -0.17 0.00 1.00 0.00 0.00 62.75 63.88 2tbd n ILE 116 Cb 0.42 -1.23 -0.05 0.00 -0.71 0.00 0.00 39.64 38.07 2tbd n ILE 116 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2tbd s GLU 117 N -0.80 1.92 0.00 0.38 -1.05 -1.03 -5.03 118.70 113.08 2tbd s GLU 117 Ca 0.00 -1.91 0.00 0.00 -0.15 0.00 0.00 54.97 52.91 2tbd s GLU 117 Cb 0.00 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2tbd s GLU 117 CO 0.00 -0.77 0.00 -0.85 0.95 0.00 0.00 175.26 174.59 2tbd n GLU 118 N -0.62 0.00 0.05 -4.83 0.28 -1.26 -1.59 120.64 112.67 2tbd n GLU 118 Ca 0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.99 2tbd n GLU 118 Cb 0.62 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.39 2tbd n GLU 118 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2tbd h SER 119 N 0.00 0.00 -3.66 -1.84 0.87 -1.85 -3.46 113.55 103.60 2tbd h SER 119 Ca 0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2tbd h SER 119 Cb 0.00 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.01 2tbd h SER 119 CO 0.00 0.84 0.16 -0.76 -0.53 0.00 0.00 176.83 176.54 2tbd s LEU 120 N -6.39 3.42 0.16 2.23 1.43 -1.26 -4.99 118.68 113.28 2tbd s LEU 120 Ca -0.00 0.87 0.08 0.00 -1.03 0.00 0.00 54.13 54.04 2tbd s LEU 120 Cb 0.09 -3.77 -0.06 0.00 0.03 0.00 0.00 46.19 42.47 2tbd s LEU 120 CO 0.80 -0.82 1.37 1.55 0.23 0.00 0.00 176.35 179.48 2tbd h PRO 121 N 0.00 0.00 -0.09 1.29 0.13 -2.02 -3.40 132.00 127.91 2tbd h PRO 121 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 2tbd h PRO 121 Cb 1.23 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.19 2tbd h PRO 121 CO 0.61 0.90 -0.43 0.41 -0.23 0.00 0.00 178.00 179.26 2tbd n GLY 122 N 1.07 1.22 7.00 1.56 0.00 -1.26 -5.12 105.19 109.66 2tbd n GLY 122 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.35 0.79 0.00 -0.02 0.00 -1.26 -4.93 105.19 99.42 2tbd n GLY 123 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.00 0.99 4.32 -1.26 -4.76 117.00 116.29 2tbd n LEU 124 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2tbd n LEU 124 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2tbd n LEU 124 CO 0.00 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.46 2tbd n LYS 125 N 0.00 0.00 0.00 3.23 4.76 -1.26 -4.95 118.16 119.94 2tbd n LYS 125 Ca 0.00 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 2tbd n LYS 125 Cb 0.00 0.00 0.54 0.00 -1.84 0.00 0.00 35.03 33.73 2tbd n LYS 125 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2tbd n GLU 126 N 0.00 0.37 0.05 1.97 2.13 -1.26 -2.08 120.64 121.82 2tbd n GLU 126 Ca 0.00 0.07 -0.15 0.00 0.66 0.00 0.00 57.16 57.74 2tbd n GLU 126 Cb 0.00 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.07 2tbd n GLU 126 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 2tbd h HIS 127 N 0.00 0.36 0.10 4.31 2.07 -1.98 -3.38 115.15 116.63 2tbd h HIS 127 Ca 0.00 -0.26 -0.35 0.00 -2.85 0.00 0.00 60.37 56.90 2tbd h HIS 127 Cb 0.15 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 30.09 2tbd h HIS 127 CO 0.00 1.33 -1.96 -0.25 -3.07 0.00 0.00 177.93 173.98 2tbd n ASP 128 N -3.40 2.09 -2.20 3.10 9.92 -1.11 -4.94 116.55 120.01 2tbd n ASP 128 Ca -0.16 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 2tbd n ASP 128 Cb 1.04 -0.85 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2tbd n PHE 129 N -3.58 0.00 0.17 1.24 3.72 -0.88 -5.01 117.46 113.11 2tbd n PHE 129 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 2tbd n PHE 129 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 2tbd n PHE 129 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2tbd n ASN 130 N 0.00 -3.00 -4.63 4.37 2.85 -1.26 -4.89 115.26 108.70 2tbd n ASN 130 Ca 0.00 0.66 -0.43 0.00 -0.11 0.00 0.00 54.58 54.70 2tbd n ASN 130 Cb 0.00 2.93 -0.02 0.00 1.24 0.00 0.00 39.78 43.93 2tbd n ASN 130 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2tbd s PRO 131 N -1.70 3.92 -0.07 1.20 0.04 -1.26 -4.95 135.00 132.17 2tbd s PRO 131 Ca 0.00 1.36 -0.32 0.00 0.04 0.00 0.00 61.00 62.08 2tbd s PRO 131 Cb 0.00 -3.90 0.13 0.00 0.04 0.00 0.00 34.50 30.77 2tbd s PRO 131 CO 0.00 -1.12 1.28 -1.83 0.04 0.00 0.00 177.00 175.36 2tbd s GLU 132 N 4.22 0.35 -0.08 4.56 -1.05 -1.26 -5.01 118.70 120.42 2tbd s GLU 132 Ca 0.59 -0.18 -0.08 0.00 -0.15 0.00 0.00 54.97 55.15 2tbd s GLU 132 Cb -0.19 0.13 0.02 0.00 -0.44 0.00 0.00 34.13 33.65 2tbd s GLU 132 CO 0.24 -0.16 0.23 -1.12 0.95 0.00 0.00 175.26 175.40 2tbd s SER 133 N -2.75 -0.24 0.00 0.83 0.01 -1.26 -5.20 113.70 105.10 2tbd s SER 133 Ca 0.13 0.45 0.04 0.00 1.31 0.00 0.00 55.95 57.88 2tbd s SER 133 Cb 0.03 0.47 0.03 0.00 0.21 0.00 0.00 66.02 66.76 2tbd s SER 133 CO -0.04 -0.09 0.62 -0.24 0.41 0.00 0.00 173.24 173.90