#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 4.89 0.61 1.61 0.15 -1.26 -4.71 113.70 114.98 2tbd s SER 2 Ca 0.00 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.77 2tbd s SER 2 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2tbd s SER 2 CO 0.00 -3.07 0.00 0.29 1.20 0.00 0.00 173.24 171.66 2tbd n LYS 3 N 8.66 -3.79 -1.69 5.44 4.01 -1.26 -4.56 118.16 124.97 2tbd n LYS 3 Ca 0.42 3.01 -0.62 0.00 -0.51 0.00 0.00 58.31 60.61 2tbd n LYS 3 Cb 0.46 -3.99 -0.09 0.00 -0.51 0.00 0.00 35.03 30.91 2tbd n LYS 3 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 2tbd n VAL 4 N -3.41 0.08 -1.61 -0.18 3.14 -1.26 -4.69 118.33 110.40 2tbd n VAL 4 Ca -0.04 -0.01 -0.58 0.00 -2.96 0.00 0.00 64.34 60.74 2tbd n VAL 4 Cb 0.58 -0.64 -0.07 0.00 -1.06 0.00 0.00 33.84 32.64 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 3.86 0.59 -2.64 1.45 0.00 -1.26 -4.86 120.64 117.77 2tbd n GLU 5 Ca 0.27 0.21 -0.40 0.00 0.00 0.00 0.00 57.16 57.24 2tbd n GLU 5 Cb 0.03 -1.80 -0.05 0.00 0.00 0.00 0.00 31.44 29.63 2tbd n GLU 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2tbd s ASP 6 N 1.28 7.49 -0.15 4.31 -1.08 -1.26 -5.00 116.67 122.25 2tbd s ASP 6 Ca 0.92 2.05 -0.29 0.00 -0.52 0.00 0.00 52.55 54.71 2tbd s ASP 6 Cb -1.17 -2.61 -0.01 0.00 -1.46 0.00 0.00 42.92 37.67 2tbd s ASP 6 CO 0.59 0.02 1.08 -2.16 0.52 0.00 0.00 175.17 175.21 2tbd s PRO 7 N -1.11 4.33 0.02 4.34 0.04 -1.26 -4.91 135.00 136.45 2tbd s PRO 7 Ca 0.43 1.45 0.27 0.00 0.04 0.00 0.00 61.00 63.20 2tbd s PRO 7 Cb -0.28 -3.61 0.90 0.00 0.04 0.00 0.00 34.50 31.55 2tbd s PRO 7 CO 0.35 -0.50 1.70 0.36 0.04 0.00 0.00 177.00 178.95 2tbd n LYS 8 N 5.73 0.04 -1.67 4.56 2.85 -1.26 -4.95 118.16 123.46 2tbd n LYS 8 Ca 0.11 0.02 -0.00 0.00 -1.05 0.00 0.00 58.31 57.39 2tbd n LYS 8 Cb 0.47 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 2tbd n LYS 8 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2tbd n ASP 9 N -1.60 -0.07 -4.74 -5.58 2.03 -1.26 -5.01 116.55 100.33 2tbd n ASP 9 Ca 0.06 -1.03 -0.36 0.00 0.52 0.00 0.00 54.79 53.98 2tbd n ASP 9 Cb 0.35 0.12 0.06 0.00 -0.72 0.00 0.00 41.12 40.93 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2tbd s PHE 10 N -4.95 2.17 0.45 -0.67 0.40 -1.26 -4.97 117.98 109.14 2tbd s PHE 10 Ca 0.01 1.53 -0.21 0.00 -0.60 0.00 0.00 56.93 57.66 2tbd s PHE 10 Cb -0.00 -3.56 -0.10 0.00 0.51 0.00 0.00 43.02 39.87 2tbd s PHE 10 CO 0.00 -2.60 0.99 -1.25 0.70 0.00 0.00 175.22 173.07 2tbd s PRO 11 N -3.53 4.05 0.59 0.24 0.04 -1.26 -4.86 135.00 130.28 2tbd s PRO 11 Ca 0.78 1.25 0.29 0.00 0.04 0.00 0.00 61.00 63.37 2tbd s PRO 11 Cb -0.33 -2.18 1.60 0.00 0.04 0.00 0.00 34.50 33.64 2tbd s PRO 11 CO 0.39 -0.20 2.03 0.66 0.04 0.00 0.00 177.00 179.92 2tbd h SER 12 N 1.83 0.00 -0.92 6.66 4.64 -1.97 -0.72 113.55 123.08 2tbd h SER 12 Ca -0.49 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.95 2tbd h SER 12 Cb 1.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 2tbd h SER 12 CO 0.60 0.00 0.59 -0.33 -0.87 0.00 0.00 176.83 176.82 2tbd h GLU 13 N 0.00 0.80 -0.09 4.77 4.39 -2.03 -2.31 114.58 120.11 2tbd h GLU 13 Ca 0.12 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2tbd h GLU 13 Cb 0.72 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2tbd h GLU 13 CO -0.00 0.53 0.00 1.28 -1.16 0.00 0.00 179.01 179.66 2tbd n LEU 14 N -4.57 2.04 0.00 1.33 4.32 -0.37 -4.47 117.00 115.28 2tbd n LEU 14 Ca 0.17 -1.30 0.12 0.00 -0.02 0.00 0.00 56.01 54.99 2tbd n LEU 14 Cb 0.40 -0.06 0.71 0.00 -1.62 0.00 0.00 43.42 42.85 2tbd n LEU 14 CO 0.29 0.44 0.91 0.18 -1.22 0.00 0.00 177.39 178.00 2tbd n LEU 15 N 0.45 0.00 0.12 2.23 4.77 -0.63 -2.91 117.00 121.02 2tbd n LEU 15 Ca 0.06 0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 2tbd n LEU 15 Cb 0.27 -0.06 0.47 0.00 -2.33 0.00 0.00 43.42 41.77 2tbd n LEU 15 CO 0.06 -0.01 0.84 -0.24 -1.33 0.00 0.00 177.39 176.71 2tbd n SER 16 N -1.06 0.61 -2.96 -1.43 2.88 -1.25 -4.17 113.62 106.22 2tbd n SER 16 Ca 0.17 0.64 -0.10 0.00 -1.33 0.00 0.00 58.87 58.26 2tbd n SER 16 Cb 0.11 -0.77 -0.02 0.00 -0.75 0.00 0.00 64.21 62.77 2tbd n SER 16 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2tbd s PHE 17 N -3.28 -0.93 0.00 0.66 -0.12 -1.15 -5.13 117.98 108.04 2tbd s PHE 17 Ca 0.05 -0.94 0.00 0.00 -0.05 0.00 0.00 56.93 55.98 2tbd s PHE 17 Cb 0.09 -0.00 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 2tbd s PHE 17 CO 0.39 -1.15 0.00 1.28 -0.05 0.00 0.00 175.22 175.68 2tbd n LEU 18 N 3.07 0.00 -0.08 -1.99 4.77 -1.26 -4.66 117.00 116.86 2tbd n LEU 18 Ca 0.20 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 2tbd n LEU 18 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2tbd n LEU 18 CO 0.01 0.00 -0.57 -1.54 -1.33 0.00 0.00 177.39 173.96 2tbd n SER 19 N -1.94 1.64 0.00 -1.43 3.41 -1.26 -4.50 113.62 109.54 2tbd n SER 19 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2tbd n SER 19 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2tbd n HIS 20 N -4.16 0.00 -2.21 7.33 -0.00 -1.26 -4.95 115.22 109.97 2tbd n HIS 20 Ca -0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.18 2tbd n HIS 20 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.40 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 -0.09 3.56 -0.19 -1.41 0.00 -1.26 -4.90 121.76 117.47 2tbd s ALA 21 Ca 0.00 1.03 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 2tbd s ALA 21 Cb 0.00 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 2tbd s ALA 21 CO 0.00 -0.67 -0.23 0.28 0.00 0.00 0.00 175.76 175.15 2tbd n VAL 22 N 4.12 1.02 -1.02 0.00 0.31 -1.26 -4.56 118.33 116.94 2tbd n VAL 22 Ca 0.12 -0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 2tbd n VAL 22 Cb 0.43 -1.65 0.28 0.00 -0.91 0.00 0.00 33.84 31.99 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 -3.70 2.56 -0.74 3.52 3.01 -1.26 -3.76 117.46 117.10 2tbd n PHE 23 Ca -0.36 -1.31 -0.29 0.00 1.01 0.00 0.00 57.45 56.50 2tbd n PHE 23 Cb 0.77 -0.74 0.24 0.00 -0.01 0.00 0.00 39.48 39.74 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 -1.02 1.05 -0.22 4.37 1.04 -1.26 -4.93 113.70 112.73 2tbd s SER 24 Ca 0.54 1.24 0.15 0.00 0.48 0.00 0.00 55.95 58.36 2tbd s SER 24 Cb 0.44 -1.90 0.67 0.00 0.10 0.00 0.00 66.02 65.32 2tbd s SER 24 CO 0.13 -4.11 1.59 -3.20 0.98 0.00 0.00 173.24 168.62 2tbd n ASN 25 N -4.83 4.66 -4.94 7.02 2.85 -1.26 -4.91 115.26 113.84 2tbd n ASN 25 Ca 0.05 -3.04 -0.25 0.00 -0.11 0.00 0.00 54.58 51.24 2tbd n ASN 25 Cb 0.56 -0.62 -0.02 0.00 1.24 0.00 0.00 39.78 40.94 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2tbd s ARG 26 N -2.84 3.50 0.01 1.20 0.52 -1.26 -5.10 118.95 114.97 2tbd s ARG 26 Ca 0.48 -0.37 0.06 0.00 -0.52 0.00 0.00 55.73 55.39 2tbd s ARG 26 Cb 0.38 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 2tbd s ARG 26 CO 0.12 0.25 -0.19 0.95 0.02 0.00 0.00 175.30 176.44 2tbd s THR 27 N -2.16 1.51 -0.17 0.02 -4.23 -1.26 -4.39 115.64 104.97 2tbd s THR 27 Ca 0.39 -0.95 -0.22 0.00 -1.18 0.00 0.00 61.69 59.73 2tbd s THR 27 Cb -0.10 -1.28 0.06 0.00 1.34 0.00 0.00 72.50 72.51 2tbd s THR 27 CO 0.33 0.31 0.58 -1.48 -0.54 0.00 0.00 174.62 173.82 2tbd s LEU 28 N -0.76 -0.24 -0.62 4.79 2.34 -1.20 -4.95 118.68 118.05 2tbd s LEU 28 Ca 0.07 1.00 -0.01 0.00 0.06 0.00 0.00 54.13 55.25 2tbd s LEU 28 Cb -0.08 2.07 0.48 0.00 -0.56 0.00 0.00 46.19 48.10 2tbd s LEU 28 CO 0.00 -0.31 1.97 0.00 -1.06 0.00 0.00 176.35 176.95 2tbd n ALA 29 N 2.25 6.15 -3.71 1.48 0.00 -1.26 -3.71 120.51 121.71 2tbd n ALA 29 Ca -0.15 -3.42 -0.16 0.00 0.00 0.00 0.00 53.44 49.71 2tbd n ALA 29 Cb 0.56 -1.64 -0.16 0.00 0.00 0.00 0.00 19.45 18.21 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 1.01 0.29 -0.06 0.00 0.40 -1.04 -1.80 117.98 116.77 2tbd s PHE 31 Ca -0.09 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.58 2tbd s PHE 31 Cb -0.13 -0.01 0.02 0.00 0.51 0.00 0.00 43.02 43.41 2tbd s PHE 31 CO -0.02 -0.70 -0.05 0.00 0.70 0.00 0.00 175.22 175.15 2tbd s ALA 32 N -3.94 0.86 -0.09 5.36 0.00 -0.86 -2.61 121.76 120.48 2tbd s ALA 32 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 2tbd s ALA 32 Cb 0.03 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 2tbd s ALA 32 CO -0.03 -0.17 0.22 0.42 0.00 0.00 0.00 175.76 176.21 2tbd s ILE 33 N 1.26 5.37 -0.27 0.00 -1.09 0.35 -2.50 121.20 124.32 2tbd s ILE 33 Ca -0.05 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 2tbd s ILE 33 Cb -0.14 -3.49 0.08 0.00 -1.58 0.00 0.00 42.46 37.33 2tbd s ILE 33 CO -0.02 0.61 0.02 -0.47 -1.23 0.00 0.00 174.94 173.85 2tbd s TYR 34 N -1.04 2.23 0.39 3.97 5.04 -0.65 0.16 117.35 127.43 2tbd s TYR 34 Ca 0.18 -1.83 -0.14 0.00 -2.44 0.00 0.00 57.07 52.84 2tbd s TYR 34 Cb -0.13 -1.76 0.05 0.00 0.35 0.00 0.00 41.96 40.47 2tbd s TYR 34 CO 0.07 -0.81 0.75 0.95 -1.34 0.00 0.00 175.55 175.17 2tbd s THR 35 N 1.44 0.00 1.15 4.34 -4.23 -0.95 -0.82 115.64 116.57 2tbd s THR 35 Ca 0.02 -1.08 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 2tbd s THR 35 Cb -0.18 -2.89 0.26 0.00 1.34 0.00 0.00 72.50 71.02 2tbd s THR 35 CO -0.12 0.00 0.91 0.35 -0.54 0.00 0.00 174.62 175.22 2tbd n THR 36 N -0.54 0.00 -0.07 3.99 -2.24 -1.26 -1.44 114.28 112.72 2tbd n THR 36 Ca -0.07 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2tbd n THR 36 Cb 0.60 -0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.56 0.58 -0.17 -0.78 2.10 -1.91 -2.70 116.57 111.13 2tbd h LYS 37 Ca -0.59 -0.35 0.05 0.00 -2.00 0.00 0.00 60.65 57.76 2tbd h LYS 37 Cb 1.33 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.69 2tbd h LYS 37 CO 0.47 0.96 0.31 1.05 -2.00 0.00 0.00 179.45 180.23 2tbd h GLU 38 N 0.26 0.00 0.00 0.07 4.11 -2.00 -1.59 114.58 115.43 2tbd h GLU 38 Ca 0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.35 2tbd h GLU 38 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2tbd h GLU 38 CO 0.07 0.00 -0.81 -0.22 0.07 0.00 0.00 179.01 178.12 2tbd h LYS 39 N 0.00 0.00 -0.96 1.06 3.64 -1.87 -3.31 116.57 115.13 2tbd h LYS 39 Ca 0.08 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.72 2tbd h LYS 39 Cb 0.69 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.46 2tbd h LYS 39 CO -0.00 0.47 0.66 0.00 -2.27 0.00 0.00 179.45 178.31 2tbd h ALA 40 N -0.75 2.55 -0.61 5.00 0.00 -1.17 0.31 119.26 124.59 2tbd h ALA 40 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2tbd h ALA 40 Cb 0.85 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2tbd h ALA 40 CO -0.09 -0.86 0.18 0.00 0.00 0.00 0.00 179.25 178.47 2tbd h ALA 41 N 1.57 0.81 0.00 0.00 0.00 -1.45 0.29 119.26 120.48 2tbd h ALA 41 Ca 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2tbd h ALA 41 Cb 1.57 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2tbd h ALA 41 CO -0.12 0.49 -0.06 -0.07 0.00 0.00 0.00 179.25 179.49 2tbd h LEU 42 N 0.88 0.00 0.00 0.00 3.38 -0.56 -2.84 115.31 116.18 2tbd h LEU 42 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2tbd h LEU 42 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2tbd h LEU 42 CO -0.00 0.06 -0.69 -0.07 0.09 0.00 0.00 178.44 177.83 2tbd h LEU 43 N 0.00 0.00 0.04 1.67 3.38 -0.29 -2.94 115.31 117.17 2tbd h LEU 43 Ca -0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2tbd h LEU 43 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2tbd h LEU 43 CO 0.01 0.09 -0.02 0.22 0.09 0.00 0.00 178.44 178.83 2tbd h TYR 44 N 0.00 -0.05 0.00 1.13 5.03 -0.20 0.71 116.97 123.59 2tbd h TYR 44 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2tbd h TYR 44 Cb 0.78 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.08 2tbd h TYR 44 CO 0.00 0.13 0.00 -0.22 -1.32 0.00 0.00 178.16 176.75 2tbd h LYS 45 N -1.01 0.00 0.00 1.82 1.63 -1.70 -2.33 116.57 114.98 2tbd h LYS 45 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2tbd h LYS 45 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2tbd h LYS 45 CO 0.01 0.00 -0.03 1.63 -3.45 0.00 0.00 179.45 177.61 2tbd n LYS 46 N -3.00 0.03 -0.23 1.90 5.02 -1.11 -4.14 118.16 116.63 2tbd n LYS 46 Ca -0.00 0.26 0.31 0.00 -2.02 0.00 0.00 58.31 56.86 2tbd n LYS 46 Cb 0.22 -0.80 0.61 0.00 -0.02 0.00 0.00 35.03 35.04 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 -0.06 0.14 0.00 -0.18 1.08 -0.94 -2.20 117.51 115.35 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 0.03 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2tbd h ILE 47 CO 0.00 0.00 0.00 0.23 -0.69 0.00 0.00 178.15 177.69 2tbd n MET 48 N -3.58 0.00 0.26 2.37 2.81 -0.88 -0.94 117.12 117.16 2tbd n MET 48 Ca 0.23 0.22 0.15 0.00 -1.81 0.00 0.00 57.70 56.48 2tbd n MET 48 Cb 1.34 -0.77 0.58 0.00 -0.71 0.00 0.00 33.22 33.67 2tbd n MET 48 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2tbd h GLU 49 N 0.00 0.00 0.00 0.03 3.07 -1.74 0.29 114.58 116.23 2tbd h GLU 49 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2tbd h GLU 49 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2tbd h GLU 49 CO 0.00 0.08 -0.08 -0.22 -1.40 0.00 0.00 179.01 177.38 2tbd h LYS 50 N 0.00 0.00 0.00 2.33 1.63 -1.11 -3.20 116.57 116.22 2tbd h LYS 50 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2tbd h LYS 50 Cb 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2tbd h LYS 50 CO 0.01 0.08 -0.46 0.66 -3.45 0.00 0.00 179.45 176.30 2tbd n TYR 51 N -4.21 0.00 -4.36 1.91 4.01 -0.11 -4.98 117.16 109.42 2tbd n TYR 51 Ca -0.03 -0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.28 2tbd n TYR 51 Cb 0.16 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2tbd n SER 52 N -0.06 -2.73 -2.16 7.72 7.64 0.96 -3.85 113.62 121.14 2tbd n SER 52 Ca 0.01 -1.11 -0.31 0.00 1.01 0.00 0.00 58.87 58.47 2tbd n SER 52 Cb 0.69 -2.28 -0.05 0.00 -1.01 0.00 0.00 64.21 61.56 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 -4.25 0.00 0.24 0.44 0.24 -0.84 -4.49 118.33 109.67 2tbd n VAL 53 Ca 0.10 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.51 2tbd n VAL 53 Cb 0.47 -0.23 0.57 0.00 -1.47 0.00 0.00 33.84 33.18 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 2.07 0.95 0.00 3.34 -1.04 -1.21 -4.71 114.28 113.68 2tbd n THR 54 Ca 0.16 0.58 0.00 0.00 -2.04 0.00 0.00 64.05 62.76 2tbd n THR 54 Cb -0.03 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 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 -2.28 0.00 -3.72 -1.42 7.35 -1.26 -4.89 117.46 111.24 2tbd n PHE 55 Ca -0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.50 2tbd n PHE 55 Cb 0.10 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.76 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 -0.77 -0.07 -0.01 -2.13 2.07 -1.26 -1.81 121.20 117.23 2tbd s ILE 56 Ca 0.00 0.33 0.06 0.00 -1.41 0.00 0.00 60.65 59.63 2tbd s ILE 56 Cb 0.00 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.42 2tbd s ILE 56 CO 0.00 0.15 -0.17 -0.94 -1.91 0.00 0.00 174.94 172.06 2tbd s SER 57 N 1.72 3.79 -0.46 4.50 1.04 -0.21 -2.07 113.70 122.02 2tbd s SER 57 Ca -0.01 -0.33 -0.09 0.00 0.48 0.00 0.00 55.95 56.00 2tbd s SER 57 Cb -0.12 -0.68 0.11 0.00 0.10 0.00 0.00 66.02 65.43 2tbd s SER 57 CO -0.03 0.30 0.32 -0.60 0.98 0.00 0.00 173.24 174.21 2tbd s ARG 58 N -1.01 2.51 0.43 4.02 3.52 -0.69 -0.98 118.95 126.74 2tbd s ARG 58 Ca 0.13 -1.68 0.06 0.00 -0.13 0.00 0.00 55.73 54.11 2tbd s ARG 58 Cb -0.10 -3.88 0.06 0.00 -1.56 0.00 0.00 34.95 29.46 2tbd s ARG 58 CO 0.02 -1.13 0.50 0.72 -0.81 0.00 0.00 175.30 174.61 2tbd n HIS 59 N 4.91 -1.91 -4.59 5.12 8.25 -1.00 -0.72 115.22 125.29 2tbd n HIS 59 Ca -0.08 -1.63 -0.26 0.00 -0.26 0.00 0.00 57.72 55.49 2tbd n HIS 59 Cb 0.41 -0.39 -0.17 0.00 1.12 0.00 0.00 29.99 30.97 2tbd n HIS 59 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2tbd s ASN 60 N -3.59 1.97 0.00 0.41 -0.87 -0.56 -2.27 114.94 110.03 2tbd s ASN 60 Ca 0.38 -0.33 0.00 0.00 -1.57 0.00 0.00 52.86 51.34 2tbd s ASN 60 Cb -0.03 -0.90 0.00 0.00 -0.02 0.00 0.00 41.25 40.30 2tbd s ASN 60 CO 0.24 0.03 0.00 -1.54 -2.57 0.00 0.00 177.10 173.26 2tbd n SER 61 N 3.89 0.00 0.00 -1.22 3.41 -0.90 -2.15 113.62 116.65 2tbd n SER 61 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2tbd n SER 61 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.00 0.00 -0.04 7.33 4.01 -1.26 -4.67 117.16 122.53 2tbd n TYR 62 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 2tbd n TYR 62 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2tbd n ASN 63 N -1.50 2.43 -0.63 7.72 4.13 -1.26 -5.07 115.26 121.09 2tbd n ASN 63 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2tbd n ASN 63 Cb 0.00 0.94 0.00 0.00 -1.54 0.00 0.00 39.78 39.18 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2tbd n HIS 64 N -2.26 -0.15 -3.96 3.10 8.25 -1.26 -5.00 115.22 113.93 2tbd n HIS 64 Ca -0.13 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.01 2tbd n HIS 64 Cb 0.71 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.76 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 -0.16 6.13 -0.46 0.41 -0.87 -0.52 -2.13 114.94 117.34 2tbd s ASN 65 Ca 0.00 0.24 -0.07 0.00 -1.57 0.00 0.00 52.86 51.46 2tbd s ASN 65 Cb 0.00 -1.85 0.12 0.00 -0.02 0.00 0.00 41.25 39.50 2tbd s ASN 65 CO 0.00 0.22 0.31 -0.63 -2.57 0.00 0.00 177.10 174.43 2tbd s ILE 66 N -1.38 3.86 0.40 0.60 -1.09 -0.96 -2.25 121.20 120.38 2tbd s ILE 66 Ca 0.29 -1.97 -0.22 0.00 -2.23 0.00 0.00 60.65 56.52 2tbd s ILE 66 Cb -0.13 -3.57 -0.11 0.00 -1.58 0.00 0.00 42.46 37.08 2tbd s ILE 66 CO 0.22 -0.76 0.95 -0.22 -1.23 0.00 0.00 174.94 173.90 2tbd s LEU 67 N 1.17 4.05 -0.06 2.97 2.96 0.12 -2.37 118.68 127.53 2tbd s LEU 67 Ca 0.08 1.75 0.02 0.00 -0.22 0.00 0.00 54.13 55.75 2tbd s LEU 67 Cb -0.24 -4.38 0.02 0.00 0.50 0.00 0.00 46.19 42.08 2tbd s LEU 67 CO -0.02 -0.30 -0.10 0.12 -1.32 0.00 0.00 176.35 174.73 2tbd s PHE 68 N -2.00 1.24 -0.14 5.38 5.36 -0.16 -0.49 117.98 127.18 2tbd s PHE 68 Ca 0.59 -0.45 -0.09 0.00 -0.96 0.00 0.00 56.93 56.02 2tbd s PHE 68 Cb -0.12 -0.96 0.05 0.00 -0.34 0.00 0.00 43.02 41.65 2tbd s PHE 68 CO 0.17 -0.27 0.35 -0.59 -1.46 0.00 0.00 175.22 173.42 2tbd s PHE 69 N 0.82 -0.47 0.62 10.12 -0.71 -1.07 -1.05 117.98 126.24 2tbd s PHE 69 Ca -0.12 1.05 0.08 0.00 -1.04 0.00 0.00 56.93 56.90 2tbd s PHE 69 Cb -0.15 0.17 0.10 0.00 -1.21 0.00 0.00 43.02 41.93 2tbd s PHE 69 CO 0.02 -0.27 0.86 -1.17 -1.34 0.00 0.00 175.22 173.32 2tbd s LEU 70 N 1.03 3.02 -0.05 -1.99 2.96 -0.75 -2.50 118.68 120.40 2tbd s LEU 70 Ca -0.07 -0.81 -0.26 0.00 -0.22 0.00 0.00 54.13 52.77 2tbd s LEU 70 Cb -0.07 -1.58 0.06 0.00 0.50 0.00 0.00 46.19 45.10 2tbd s LEU 70 CO -0.08 -1.52 0.57 0.42 -1.32 0.00 0.00 176.35 174.42 2tbd s THR 71 N -2.80 0.02 0.00 3.68 -4.23 -0.17 -3.33 115.64 108.80 2tbd s THR 71 Ca 0.64 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 2tbd s THR 71 Cb -0.05 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.91 2tbd s THR 71 CO 0.41 -0.07 0.01 -0.81 -0.54 0.00 0.00 174.62 173.62 2tbd n PRO 72 N 1.10 0.00 -0.61 3.99 -0.04 -1.25 -4.65 135.00 133.54 2tbd n PRO 72 Ca -0.19 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.04 2tbd n PRO 72 Cb 0.57 -0.18 0.14 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.12 -2.00 -3.96 0.54 1.44 -1.26 -4.82 115.22 105.05 2tbd n HIS 73 Ca 0.00 0.10 -0.32 0.00 -2.01 0.00 0.00 57.72 55.50 2tbd n HIS 73 Cb 0.00 -1.43 -0.05 0.00 0.12 0.00 0.00 29.99 28.63 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 -3.30 3.29 -0.10 -1.40 0.52 -1.26 -4.55 118.95 112.15 2tbd s ARG 74 Ca 0.40 -0.47 -0.09 0.00 -0.52 0.00 0.00 55.73 55.06 2tbd s ARG 74 Cb -0.06 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.47 2tbd s ARG 74 CO 0.44 0.62 0.27 -3.38 0.02 0.00 0.00 175.30 173.27 2tbd s HIS 75 N -1.41 -0.31 0.38 -0.53 -3.43 -1.24 -4.98 115.29 103.76 2tbd s HIS 75 Ca 0.31 0.75 -0.26 0.00 -0.80 0.00 0.00 55.06 55.06 2tbd s HIS 75 Cb -0.13 0.10 -0.09 0.00 -1.43 0.00 0.00 32.58 31.04 2tbd s HIS 75 CO 0.23 -0.16 1.18 0.50 -2.00 0.00 0.00 174.74 174.49 2tbd s ARG 76 N 0.33 4.15 0.53 -0.38 3.52 -1.26 -3.24 118.95 122.60 2tbd s ARG 76 Ca -0.01 1.89 0.25 0.00 -0.13 0.00 0.00 55.73 57.73 2tbd s ARG 76 Cb -0.03 -2.78 1.36 0.00 -1.56 0.00 0.00 34.95 31.93 2tbd s ARG 76 CO -0.01 -0.25 1.73 0.28 -0.81 0.00 0.00 175.30 176.24 2tbd h VAL 77 N 2.50 0.00 0.06 7.11 2.07 -1.84 0.30 116.25 126.45 2tbd h VAL 77 Ca -0.49 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.78 2tbd h VAL 77 Cb 1.23 0.55 0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2tbd h VAL 77 CO 0.63 0.00 -1.03 0.28 0.02 0.00 0.00 177.57 177.47 2tbd h SER 78 N 0.00 0.81 0.31 0.57 0.02 -1.89 -0.06 113.55 113.31 2tbd h SER 78 Ca 0.00 -0.79 -0.01 0.00 -0.84 0.00 0.00 61.79 60.15 2tbd h SER 78 Cb 0.54 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2tbd h SER 78 CO 0.00 1.51 -0.15 0.00 -1.14 0.00 0.00 176.83 177.05 2tbd h ALA 79 N 0.32 -0.41 -0.91 3.77 0.00 -0.77 0.12 119.26 121.39 2tbd h ALA 79 Ca -0.15 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2tbd h ALA 79 Cb 1.71 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 2tbd h ALA 79 CO 0.20 -0.59 0.60 0.82 0.00 0.00 0.00 179.25 180.28 2tbd h ILE 80 N -0.70 1.23 0.00 0.00 1.08 -1.51 0.12 117.51 117.72 2tbd h ILE 80 Ca -0.04 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 2tbd h ILE 80 Cb 0.48 -0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.13 2tbd h ILE 80 CO 0.07 0.22 -0.07 -1.13 -0.69 0.00 0.00 178.15 176.55 2tbd h ASN 81 N 1.22 0.00 -0.71 1.72 -1.24 -0.78 -1.09 115.58 114.71 2tbd h ASN 81 Ca 0.33 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.29 2tbd h ASN 81 Cb -0.14 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 38.88 2tbd h ASN 81 CO -0.07 0.07 0.23 0.78 -1.29 0.00 0.00 177.43 177.15 2tbd h ASN 82 N 0.00 1.02 0.10 1.15 2.35 0.13 0.17 115.58 120.50 2tbd h ASN 82 Ca -0.00 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2tbd h ASN 82 Cb 0.13 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2tbd h ASN 82 CO 0.01 0.95 -0.05 0.22 -1.65 0.00 0.00 177.43 176.91 2tbd h TYR 83 N 1.03 -0.13 -0.88 1.19 3.20 -1.05 -1.61 116.97 118.73 2tbd h TYR 83 Ca 0.23 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.35 2tbd h TYR 83 Cb 0.29 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2tbd h TYR 83 CO 0.02 -0.08 0.89 0.00 -1.64 0.00 0.00 178.16 177.36 2tbd h ALA 84 N -1.82 2.72 -0.04 1.82 0.00 -1.45 0.72 119.26 121.21 2tbd h ALA 84 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2tbd h ALA 84 Cb 0.10 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2tbd h ALA 84 CO 0.02 -1.34 -0.07 0.37 0.00 0.00 0.00 179.25 178.23 2tbd h GLN 85 N 0.00 0.13 -0.07 0.00 5.75 -0.53 -2.42 115.11 117.97 2tbd h GLN 85 Ca 0.42 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.86 2tbd h GLN 85 Cb 2.19 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 30.75 2tbd h GLN 85 CO -0.00 0.64 0.15 0.87 -2.65 0.00 0.00 178.83 177.84 2tbd h LYS 86 N -0.38 0.00 -2.20 1.69 1.57 0.14 -1.71 116.57 115.68 2tbd h LYS 86 Ca 0.00 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.06 2tbd h LYS 86 Cb 0.63 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.72 2tbd h LYS 86 CO 0.02 0.00 1.20 1.28 -0.57 0.00 0.00 179.45 181.38 2tbd n LEU 87 N -3.37 7.38 -2.62 2.94 4.77 -0.72 -4.55 117.00 120.83 2tbd n LEU 87 Ca -0.01 -4.88 -0.12 0.00 -0.03 0.00 0.00 56.01 50.97 2tbd n LEU 87 Cb 0.24 -1.19 0.03 0.00 -2.33 0.00 0.00 43.42 40.16 2tbd n LEU 87 CO 0.22 1.91 -0.04 0.00 -1.33 0.00 0.00 177.39 178.15 2tbd n THR 89 N -0.23 0.00 0.00 0.00 -2.24 -1.26 -4.79 114.28 105.76 2tbd n THR 89 Ca 0.16 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 2tbd n THR 89 Cb 0.79 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 -2.10 0.00 -3.41 4.78 1.16 -1.26 -4.70 117.46 111.94 2tbd n PHE 90 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2tbd n PHE 90 Cb 0.00 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 37.78 2tbd n PHE 90 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2tbd n SER 91 N -1.97 0.46 -3.35 5.98 7.64 -1.26 -5.14 113.62 115.97 2tbd n SER 91 Ca 0.00 -0.41 -0.26 0.00 1.01 0.00 0.00 58.87 59.21 2tbd n SER 91 Cb 0.00 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 2tbd n SER 91 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2tbd n PHE 92 N 0.00 -3.34 -3.63 1.43 -1.74 -1.26 -4.84 117.46 104.07 2tbd n PHE 92 Ca 0.00 -0.56 -0.13 0.00 -0.56 0.00 0.00 57.45 56.19 2tbd n PHE 92 Cb 0.00 -1.36 -0.07 0.00 1.52 0.00 0.00 39.48 39.57 2tbd n PHE 92 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2tbd s LEU 93 N -5.45 -0.74 -0.40 5.98 0.20 -1.26 -4.55 118.68 112.45 2tbd s LEU 93 Ca 0.57 1.42 0.07 0.00 0.69 0.00 0.00 54.13 56.89 2tbd s LEU 93 Cb -0.10 2.43 0.24 0.00 -0.43 0.00 0.00 46.19 48.33 2tbd s LEU 93 CO 0.48 -0.24 0.54 -0.38 -0.29 0.00 0.00 176.35 176.46 2tbd n ILE 94 N 2.76 -0.67 -3.13 6.68 5.41 -0.00 -5.00 119.36 125.40 2tbd n ILE 94 Ca -0.14 -3.65 -0.39 0.00 1.00 0.00 0.00 62.75 59.57 2tbd n ILE 94 Cb 0.55 -1.53 -0.05 0.00 -0.71 0.00 0.00 39.64 37.90 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 -0.26 0.39 0.00 0.00 1.02 -1.04 -4.96 119.74 114.89 2tbd s LYS 96 Ca 0.33 0.89 0.00 0.00 0.02 0.00 0.00 55.97 57.22 2tbd s LYS 96 Cb -0.19 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.22 2tbd s LYS 96 CO 0.19 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 2tbd n GLY 97 N 4.64 -2.65 3.44 -3.33 0.00 -1.26 -2.03 105.19 103.99 2tbd n GLY 97 Ca -0.18 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.56 0.02 -0.13 1.61 1.01 -0.75 -4.12 120.40 117.48 2tbd s VAL 98 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 2tbd s VAL 98 Cb 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 36.38 35.35 2tbd s VAL 98 CO 0.00 -0.07 -0.12 -0.46 0.00 0.00 0.00 175.10 174.45 2tbd n ASN 99 N 0.64 2.75 -3.94 3.32 0.23 -1.26 -4.62 115.26 112.38 2tbd n ASN 99 Ca -0.19 -0.04 -0.36 0.00 -0.53 0.00 0.00 54.58 53.46 2tbd n ASN 99 Cb 0.59 -0.22 -0.05 0.00 -2.08 0.00 0.00 39.78 38.02 2tbd n ASN 99 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2tbd n LYS 100 N -2.96 3.14 0.00 -3.83 4.81 -1.26 -4.93 118.16 113.12 2tbd n LYS 100 Ca -0.23 -4.54 0.00 0.00 -0.87 0.00 0.00 58.31 52.67 2tbd n LYS 100 Cb 0.73 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.37 2tbd n LYS 100 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2tbd n GLU 101 N 1.73 0.00 0.00 1.64 4.07 -1.26 -2.40 120.64 124.42 2tbd n GLU 101 Ca 0.25 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 2tbd n GLU 101 Cb 0.37 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.42 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 2tbd n TYR 102 N -1.64 0.00 0.25 4.31 4.19 -1.26 0.81 117.16 123.82 2tbd n TYR 102 Ca 0.00 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 61.11 2tbd n TYR 102 Cb 0.00 -0.50 -0.05 0.00 0.49 0.00 0.00 39.34 39.29 2tbd n TYR 102 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 2tbd h LEU 103 N 0.00 -0.54 -0.95 2.98 6.46 -1.97 -1.97 115.31 119.32 2tbd h LEU 103 Ca 0.00 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.87 2tbd h LEU 103 Cb 0.00 0.14 -0.12 0.00 -0.73 0.00 0.00 40.66 39.95 2tbd h LEU 103 CO 0.00 -0.36 -0.53 0.80 -0.62 0.00 0.00 178.44 177.73 2tbd n MET 104 N -3.84 -0.38 -0.28 1.25 1.56 0.24 0.98 117.12 116.64 2tbd n MET 104 Ca -0.08 1.43 0.07 0.00 -0.27 0.00 0.00 57.70 58.85 2tbd n MET 104 Cb 0.25 -2.11 0.22 0.00 2.15 0.00 0.00 33.22 33.73 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 0.68 0.53 1.12 5.03 -1.25 -0.32 116.97 122.75 2tbd h TYR 105 Ca 0.18 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 2tbd h TYR 105 Cb 0.42 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 2tbd h TYR 105 CO -0.95 0.14 -0.40 1.03 -1.32 0.00 0.00 178.16 176.65 2tbd h SER 106 N 0.56 -1.06 0.00 -2.11 0.87 0.14 0.10 113.55 112.05 2tbd h SER 106 Ca 0.45 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2tbd h SER 106 Cb 0.66 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2tbd h SER 106 CO -0.38 -0.59 0.04 0.00 -0.53 0.00 0.00 176.83 175.37 2tbd h ALA 107 N -0.60 1.03 0.00 6.23 0.00 -0.40 0.57 119.26 126.08 2tbd h ALA 107 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 2tbd h ALA 107 Cb 0.77 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2tbd h ALA 107 CO 0.01 -0.03 -1.45 -0.07 0.00 0.00 0.00 179.25 177.71 2tbd h LEU 108 N 0.00 0.00 -0.05 0.00 3.38 0.81 -3.31 115.31 116.15 2tbd h LEU 108 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2tbd h LEU 108 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2tbd h LEU 108 CO 0.00 0.94 -0.18 0.71 0.09 0.00 0.00 178.44 180.00 2tbd h THR 109 N 0.00 0.31 -3.12 0.22 1.35 0.11 -3.38 112.91 108.40 2tbd h THR 109 Ca -0.19 -1.42 -0.60 0.00 -0.55 0.00 0.00 66.41 63.65 2tbd h THR 109 Cb 1.89 2.14 -0.06 0.00 -1.73 0.00 0.00 68.15 70.38 2tbd h THR 109 CO 0.09 0.18 -0.17 -0.60 -0.25 0.00 0.00 175.52 174.76 2tbd s ARG 110 N -3.14 4.06 0.99 4.72 3.00 -0.93 -4.80 118.95 122.85 2tbd s ARG 110 Ca 0.06 0.45 -0.16 0.00 -1.00 0.00 0.00 55.73 55.08 2tbd s ARG 110 Cb 0.06 -3.28 -0.08 0.00 0.00 0.00 0.00 34.95 31.66 2tbd s ARG 110 CO 0.69 0.55 -0.37 -0.25 0.00 0.00 0.00 175.30 175.93 2tbd n ASP 111 N 2.26 -4.34 -0.16 -2.12 9.92 -1.26 -2.27 116.55 118.58 2tbd n ASP 111 Ca -0.12 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 2tbd n ASP 111 Cb 0.52 -0.92 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2tbd n PRO 112 N 0.81 0.99 -2.94 -0.24 -0.04 -1.26 -5.01 135.00 127.32 2tbd n PRO 112 Ca 0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 2tbd n PRO 112 Cb 0.56 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.68 3.09 0.48 0.54 0.08 -0.96 -4.74 117.98 114.79 2tbd s PHE 113 Ca 0.00 0.54 -0.03 0.00 0.12 0.00 0.00 56.93 57.56 2tbd s PHE 113 Cb 0.00 -3.47 -0.01 0.00 -0.57 0.00 0.00 43.02 38.96 2tbd s PHE 113 CO 0.00 -0.78 0.74 -1.12 -0.10 0.00 0.00 175.22 173.96 2tbd s SER 114 N 1.89 5.93 -0.29 1.36 0.01 -0.91 -4.07 113.70 117.62 2tbd s SER 114 Ca 0.32 0.57 -0.05 0.00 1.31 0.00 0.00 55.95 58.11 2tbd s SER 114 Cb -0.13 -1.82 0.03 0.00 0.21 0.00 0.00 66.02 64.31 2tbd s SER 114 CO 0.18 -0.71 0.04 -0.69 0.41 0.00 0.00 173.24 172.46 2tbd s VAL 115 N -2.68 3.48 -0.04 3.43 1.01 -1.26 -1.49 120.40 122.85 2tbd s VAL 115 Ca 0.48 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2tbd s VAL 115 Cb -0.10 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 2tbd s VAL 115 CO 0.41 0.02 -0.00 0.40 0.00 0.00 0.00 175.10 175.93 2tbd h ILE 116 N 6.11 0.00 -2.42 2.22 2.04 -1.23 -3.49 117.51 120.74 2tbd h ILE 116 Ca -0.28 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.16 2tbd h ILE 116 Cb 1.10 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2tbd h ILE 116 CO 0.58 0.00 -0.06 -0.62 0.00 0.00 0.00 178.15 178.05 2tbd n GLU 117 N -2.98 0.08 -3.89 2.37 -0.58 -1.03 -4.98 120.64 109.63 2tbd n GLU 117 Ca -0.00 -0.52 0.02 0.00 -0.42 0.00 0.00 57.16 56.24 2tbd n GLU 117 Cb 0.00 0.45 0.01 0.00 -0.57 0.00 0.00 31.44 31.33 2tbd n GLU 117 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2tbd n GLU 118 N -0.10 0.20 -0.00 3.49 -0.00 -1.26 -1.70 120.64 121.27 2tbd n GLU 118 Ca 0.01 -0.79 0.03 0.00 -0.00 0.00 0.00 57.16 56.42 2tbd n GLU 118 Cb 0.10 1.27 -0.05 0.00 -0.00 0.00 0.00 31.44 32.76 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 -1.06 2.83 -4.85 -1.84 2.88 -0.88 -4.93 113.62 105.78 2tbd n SER 119 Ca 0.04 -0.13 -0.32 0.00 -1.33 0.00 0.00 58.87 57.13 2tbd n SER 119 Cb 0.55 1.25 -0.05 0.00 -0.75 0.00 0.00 64.21 65.21 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 -3.25 3.92 0.45 2.46 1.43 -1.26 -4.94 118.68 117.49 2tbd s LEU 120 Ca -0.02 1.37 0.26 0.00 -1.03 0.00 0.00 54.13 54.72 2tbd s LEU 120 Cb 0.04 -4.22 0.71 0.00 0.03 0.00 0.00 46.19 42.76 2tbd s LEU 120 CO 0.28 -0.33 1.74 1.55 0.23 0.00 0.00 176.35 179.82 2tbd h PRO 121 N 1.77 0.00 0.00 1.29 0.13 -2.00 -3.35 132.00 129.84 2tbd h PRO 121 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.64 0.00 -0.86 0.41 -0.23 0.00 0.00 178.00 177.95 2tbd n GLY 122 N 0.76 0.00 0.00 1.56 0.00 -1.26 -5.14 105.19 101.11 2tbd n GLY 122 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.80 0.12 3.12 -0.02 0.00 -1.26 -5.00 105.19 104.95 2tbd n GLY 123 Ca 0.00 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 2tbd n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2tbd s LEU 124 N 0.00 2.23 0.00 0.99 2.96 -1.26 -4.72 118.68 118.87 2tbd s LEU 124 Ca 0.00 -0.70 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 2tbd s LEU 124 Cb 0.00 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.20 2tbd s LEU 124 CO 0.00 -0.01 0.00 0.29 -1.32 0.00 0.00 176.35 175.31 2tbd n LYS 125 N 4.61 0.00 -0.05 1.98 4.76 -1.26 -4.84 118.16 123.36 2tbd n LYS 125 Ca -0.20 0.00 0.24 0.00 -2.87 0.00 0.00 58.31 55.47 2tbd n LYS 125 Cb 0.49 0.00 0.60 0.00 -1.84 0.00 0.00 35.03 34.29 2tbd n LYS 125 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2tbd h GLU 126 N 0.00 0.00 -0.18 1.97 4.11 -1.94 0.33 114.58 118.88 2tbd h GLU 126 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 2tbd h GLU 126 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2tbd h GLU 126 CO 0.00 0.00 -0.41 1.12 0.07 0.00 0.00 179.01 179.79 2tbd h HIS 127 N 0.00 0.76 0.00 2.06 2.07 -1.95 -3.39 115.15 114.69 2tbd h HIS 127 Ca 0.33 -0.29 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 2tbd h HIS 127 Cb 1.95 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.79 2tbd h HIS 127 CO 0.00 1.04 -0.62 -3.47 -3.07 0.00 0.00 177.93 171.81 2tbd n ASP 128 N -4.25 1.79 -3.25 3.10 2.03 0.89 -4.98 116.55 111.88 2tbd n ASP 128 Ca -0.06 0.55 -0.19 0.00 0.52 0.00 0.00 54.79 55.60 2tbd n ASP 128 Cb 0.54 -0.83 0.14 0.00 -0.72 0.00 0.00 41.12 40.25 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2tbd n PHE 129 N -4.51 -3.99 -4.36 -0.67 3.72 0.42 -4.95 117.46 103.12 2tbd n PHE 129 Ca -0.09 -0.77 -0.28 0.00 -0.05 0.00 0.00 57.45 56.26 2tbd n PHE 129 Cb 0.32 -0.68 -0.12 0.00 -0.94 0.00 0.00 39.48 38.06 2tbd n PHE 129 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2tbd s ASN 130 N -4.19 3.62 1.05 4.37 2.20 -1.26 -4.39 114.94 116.34 2tbd s ASN 130 Ca 0.50 -0.71 -0.18 0.00 -0.94 0.00 0.00 52.86 51.52 2tbd s ASN 130 Cb -0.01 -0.38 0.24 0.00 -2.00 0.00 0.00 41.25 39.10 2tbd s ASN 130 CO 0.35 0.15 1.31 -2.16 -2.94 0.00 0.00 177.10 173.81 2tbd s PRO 131 N -2.37 -0.06 0.27 3.55 0.04 -1.26 -4.97 135.00 130.20 2tbd s PRO 131 Ca 0.18 -0.46 0.09 0.00 0.04 0.00 0.00 61.00 60.85 2tbd s PRO 131 Cb -0.09 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2tbd s PRO 131 CO 0.09 -2.88 0.05 -1.21 0.04 0.00 0.00 177.00 173.10 2tbd s GLU 132 N -5.87 2.45 0.03 4.56 0.41 -1.26 -5.13 118.70 113.89 2tbd s GLU 132 Ca 0.76 -1.34 0.05 0.00 -0.41 0.00 0.00 54.97 54.03 2tbd s GLU 132 Cb -0.03 -2.26 -0.03 0.00 -1.78 0.00 0.00 34.13 30.03 2tbd s GLU 132 CO 0.54 0.35 -0.12 -1.54 -0.49 0.00 0.00 175.26 174.01 2tbd s SER 133 N -3.73 4.25 0.00 -0.19 1.04 -1.26 -5.31 113.70 108.51 2tbd s SER 133 Ca 0.32 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2tbd s SER 133 Cb -0.06 -0.86 0.00 0.00 0.10 0.00 0.00 66.02 65.20 2tbd s SER 133 CO 0.21 0.26 0.00 -0.24 0.98 0.00 0.00 173.24 174.45