#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 -4.65 -3.15 1.61 3.41 -1.26 -3.70 113.62 105.88 2tbd n SER 2 Ca 0.00 0.30 -0.17 0.00 -0.26 0.00 0.00 58.87 58.73 2tbd n SER 2 Cb 0.00 -0.89 0.02 0.00 -0.26 0.00 0.00 64.21 63.08 2tbd n SER 2 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2tbd n LYS 3 N 1.34 -2.03 -1.51 4.33 5.02 -1.26 -4.51 118.16 119.54 2tbd n LYS 3 Ca 0.02 1.72 -0.34 0.00 -2.02 0.00 0.00 58.31 57.69 2tbd n LYS 3 Cb 0.54 -4.36 -0.15 0.00 -0.02 0.00 0.00 35.03 31.04 2tbd n LYS 3 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2tbd n VAL 4 N -0.68 -0.01 -0.89 -0.18 0.31 -1.24 -4.87 118.33 110.77 2tbd n VAL 4 Ca 0.00 -0.26 -0.01 0.00 -0.01 0.00 0.00 64.34 64.06 2tbd n VAL 4 Cb 0.55 -0.71 0.01 0.00 -0.91 0.00 0.00 33.84 32.78 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 7.75 -0.35 -1.61 5.55 4.07 -1.26 -4.86 120.64 129.92 2tbd n GLU 5 Ca 0.62 -0.09 -0.46 0.00 -0.06 0.00 0.00 57.16 57.18 2tbd n GLU 5 Cb 0.14 -0.06 -0.04 0.00 -0.06 0.00 0.00 31.44 31.42 2tbd n GLU 5 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2tbd n ASP 6 N -3.05 3.33 -4.69 4.31 2.03 -1.26 -4.90 116.55 112.32 2tbd n ASP 6 Ca 0.01 0.63 -0.42 0.00 0.52 0.00 0.00 54.79 55.52 2tbd n ASP 6 Cb 0.03 -1.44 -0.03 0.00 -0.72 0.00 0.00 41.12 38.96 2tbd n ASP 6 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2tbd s PRO 7 N 5.21 4.41 0.00 -0.67 0.04 -1.26 -4.92 135.00 137.81 2tbd s PRO 7 Ca 0.97 1.52 0.15 0.00 0.04 0.00 0.00 61.00 63.68 2tbd s PRO 7 Cb -0.56 -3.53 0.21 0.00 0.04 0.00 0.00 34.50 30.66 2tbd s PRO 7 CO 0.44 -0.34 1.09 1.17 0.04 0.00 0.00 177.00 179.40 2tbd n LYS 8 N 4.91 1.62 -2.37 4.56 4.81 -1.26 -4.97 118.16 125.46 2tbd n LYS 8 Ca 0.09 -1.65 -0.04 0.00 -0.87 0.00 0.00 58.31 55.84 2tbd n LYS 8 Cb 0.48 -1.31 0.01 0.00 0.02 0.00 0.00 35.03 34.24 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2tbd n ASP 9 N 0.83 -1.14 -4.89 3.14 9.92 -1.26 -4.97 116.55 118.18 2tbd n ASP 9 Ca 0.11 -1.79 -0.29 0.00 -0.53 0.00 0.00 54.79 52.29 2tbd n ASP 9 Cb 0.40 1.90 0.03 0.00 -0.64 0.00 0.00 41.12 42.81 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2tbd s PHE 10 N -5.62 3.39 0.57 1.24 0.40 -1.26 -5.05 117.98 111.65 2tbd s PHE 10 Ca 0.08 0.98 -0.15 0.00 -0.60 0.00 0.00 56.93 57.24 2tbd s PHE 10 Cb -0.02 -2.86 -0.05 0.00 0.51 0.00 0.00 43.02 40.60 2tbd s PHE 10 CO 0.06 -0.92 1.02 -1.25 0.70 0.00 0.00 175.22 174.82 2tbd s PRO 11 N -5.18 3.65 0.41 0.24 0.04 -1.26 -4.93 135.00 127.97 2tbd s PRO 11 Ca 0.56 0.96 0.15 0.00 0.04 0.00 0.00 61.00 62.71 2tbd s PRO 11 Cb -0.11 -2.09 0.90 0.00 0.04 0.00 0.00 34.50 33.24 2tbd s PRO 11 CO 0.50 -0.52 1.91 0.66 0.04 0.00 0.00 177.00 179.59 2tbd h SER 12 N 0.41 0.00 0.32 6.66 4.64 -1.97 -1.55 113.55 122.06 2tbd h SER 12 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 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 -4.09 0.11 -0.00 4.77 0.00 -1.26 -1.72 120.64 118.44 2tbd n GLU 13 Ca -0.02 0.48 0.01 0.00 0.00 0.00 0.00 57.16 57.63 2tbd n GLU 13 Cb 0.34 -1.77 0.01 0.00 0.00 0.00 0.00 31.44 30.01 2tbd n GLU 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2tbd n LEU 14 N -1.99 1.29 -0.68 4.31 4.32 -0.63 -4.54 117.00 119.07 2tbd n LEU 14 Ca 0.01 -1.16 0.05 0.00 -0.02 0.00 0.00 56.01 54.89 2tbd n LEU 14 Cb 0.11 -0.01 0.16 0.00 -1.62 0.00 0.00 43.42 42.07 2tbd n LEU 14 CO 0.12 0.31 0.62 0.18 -1.22 0.00 0.00 177.39 177.40 2tbd n LEU 15 N 0.01 1.97 0.08 2.23 4.77 -0.70 -3.75 117.00 121.61 2tbd n LEU 15 Ca 0.01 -0.99 0.13 0.00 -0.03 0.00 0.00 56.01 55.13 2tbd n LEU 15 Cb 0.08 -0.26 0.37 0.00 -2.33 0.00 0.00 43.42 41.27 2tbd n LEU 15 CO 0.01 0.46 0.76 -1.20 -1.33 0.00 0.00 177.39 176.08 2tbd n SER 16 N 0.49 0.68 -2.87 -1.43 7.64 -1.25 -4.40 113.62 112.48 2tbd n SER 16 Ca 0.12 0.43 -0.12 0.00 1.01 0.00 0.00 58.87 60.31 2tbd n SER 16 Cb 0.33 -0.50 0.02 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.11 -2.66 -4.53 1.43 1.16 -1.25 -5.09 117.46 104.41 2tbd n PHE 17 Ca 0.05 -2.17 -0.26 0.00 -1.87 0.00 0.00 57.45 53.21 2tbd n PHE 17 Cb 0.42 1.10 -0.09 0.00 -1.61 0.00 0.00 39.48 39.30 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 -0.65 2.08 0.06 5.98 2.96 -1.26 -3.82 118.68 124.03 2tbd s LEU 18 Ca 0.33 -1.60 0.12 0.00 -0.22 0.00 0.00 54.13 52.76 2tbd s LEU 18 Cb 0.19 -0.26 -0.17 0.00 0.50 0.00 0.00 46.19 46.45 2tbd s LEU 18 CO -0.20 -0.84 0.97 0.28 -1.32 0.00 0.00 176.35 175.24 2tbd h SER 19 N 1.82 0.00 -4.08 3.68 0.02 -1.84 -3.37 113.55 109.77 2tbd h SER 19 Ca -0.38 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.41 2tbd h SER 19 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2tbd h SER 19 CO 0.62 0.85 -0.21 1.41 -1.14 0.00 0.00 176.83 178.36 2tbd n HIS 20 N -3.12 -1.56 -3.98 3.45 -0.00 -1.26 -4.90 115.22 103.85 2tbd n HIS 20 Ca -0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.51 2tbd n HIS 20 Cb 0.94 -2.18 -0.13 0.00 -0.00 0.00 0.00 29.99 28.62 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 -2.38 0.19 0.00 -1.41 0.00 -1.26 -5.03 121.76 111.86 2tbd s ALA 21 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2tbd s ALA 21 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2tbd s ALA 21 CO 0.00 -0.01 0.00 0.28 0.00 0.00 0.00 175.76 176.03 2tbd n VAL 22 N 2.56 0.00 -1.66 0.00 0.31 -1.26 -4.56 118.33 113.72 2tbd n VAL 22 Ca -0.16 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.23 2tbd n VAL 22 Cb 0.58 -0.85 0.17 0.00 -0.91 0.00 0.00 33.84 32.83 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 0.00 -1.23 3.52 3.72 -1.26 -3.80 117.46 116.48 2tbd n PHE 23 Ca 0.00 -1.29 -0.31 0.00 -0.05 0.00 0.00 57.45 55.80 2tbd n PHE 23 Cb 0.45 -0.22 0.11 0.00 -0.94 0.00 0.00 39.48 38.87 2tbd n PHE 23 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2tbd s SER 24 N -3.00 4.18 -0.26 4.37 0.15 -1.26 -4.93 113.70 112.95 2tbd s SER 24 Ca 0.36 1.74 0.10 0.00 0.70 0.00 0.00 55.95 58.85 2tbd s SER 24 Cb 0.36 -2.43 0.69 0.00 -1.71 0.00 0.00 66.02 62.93 2tbd s SER 24 CO -0.07 -2.23 1.66 0.59 1.20 0.00 0.00 173.24 174.39 2tbd n ASN 25 N -3.64 4.78 -4.86 5.45 3.02 -1.26 -4.80 115.26 113.95 2tbd n ASN 25 Ca 0.09 -2.98 -0.35 0.00 -0.03 0.00 0.00 54.58 51.31 2tbd n ASN 25 Cb 0.54 -0.70 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2tbd s ARG 26 N -2.64 3.76 -0.29 3.52 6.06 -1.26 -5.06 118.95 123.04 2tbd s ARG 26 Ca 0.49 0.18 -0.16 0.00 -2.50 0.00 0.00 55.73 53.74 2tbd s ARG 26 Cb 0.38 -3.04 -0.03 0.00 0.06 0.00 0.00 34.95 32.33 2tbd s ARG 26 CO 0.13 0.59 0.40 0.95 -2.50 0.00 0.00 175.30 174.87 2tbd s THR 27 N -1.34 5.14 0.19 4.11 -4.23 -1.26 -4.28 115.64 113.97 2tbd s THR 27 Ca 0.31 0.48 0.10 0.00 -1.18 0.00 0.00 61.69 61.41 2tbd s THR 27 Cb -0.14 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 2tbd s THR 27 CO 0.17 0.06 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.37 2tbd s LEU 28 N 2.13 2.67 0.00 4.79 1.02 0.06 -4.84 118.68 124.51 2tbd s LEU 28 Ca 0.16 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.55 2tbd s LEU 28 Cb -0.16 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.69 2tbd s LEU 28 CO 0.11 0.11 0.20 0.00 0.02 0.00 0.00 176.35 176.78 2tbd n ALA 29 N 0.10 1.85 -3.48 4.21 0.00 -1.26 -1.68 120.51 120.25 2tbd n ALA 29 Ca -0.11 -0.20 -0.33 0.00 0.00 0.00 0.00 53.44 52.80 2tbd n ALA 29 Cb 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 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 0.81 0.84 -0.42 0.00 0.40 -1.07 -1.71 117.98 116.83 2tbd s PHE 31 Ca -0.06 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.03 2tbd s PHE 31 Cb -0.15 -0.54 0.08 0.00 0.51 0.00 0.00 43.02 42.92 2tbd s PHE 31 CO -0.00 -0.01 0.25 0.00 0.70 0.00 0.00 175.22 176.16 2tbd s ALA 32 N -0.22 3.27 0.11 5.36 0.00 -0.49 -2.50 121.76 127.30 2tbd s ALA 32 Ca 0.04 -2.20 -0.28 0.00 0.00 0.00 0.00 51.96 49.52 2tbd s ALA 32 Cb -0.04 -2.63 -0.06 0.00 0.00 0.00 0.00 23.12 20.40 2tbd s ALA 32 CO -0.00 -1.67 0.89 0.42 0.00 0.00 0.00 175.76 175.40 2tbd s ILE 33 N 1.39 4.51 -0.38 0.00 1.01 -0.88 -2.50 121.20 124.35 2tbd s ILE 33 Ca 0.03 1.93 0.02 0.00 0.00 0.00 0.00 60.65 62.63 2tbd s ILE 33 Cb -0.23 -4.25 0.11 0.00 0.01 0.00 0.00 42.46 38.10 2tbd s ILE 33 CO 0.01 0.37 0.14 -0.47 0.00 0.00 0.00 174.94 174.98 2tbd s TYR 34 N -0.23 2.66 0.30 3.97 5.04 -0.58 -0.09 117.35 128.42 2tbd s TYR 34 Ca 0.43 -2.51 0.02 0.00 -2.44 0.00 0.00 57.07 52.57 2tbd s TYR 34 Cb -0.23 -2.31 -0.01 0.00 0.35 0.00 0.00 41.96 39.76 2tbd s TYR 34 CO 0.28 -0.86 0.35 0.25 -1.34 0.00 0.00 175.55 174.22 2tbd n THR 35 N 4.12 0.00 -1.32 4.34 -2.24 -0.90 -1.10 114.28 117.18 2tbd n THR 35 Ca 0.03 -1.84 -0.36 0.00 -2.27 0.00 0.00 64.05 59.62 2tbd n THR 35 Cb 0.39 1.02 0.09 0.00 -2.10 0.00 0.00 70.33 69.72 2tbd n THR 35 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2tbd n THR 36 N -0.53 2.59 -0.22 4.28 -2.24 -1.26 -1.93 114.28 114.97 2tbd n THR 36 Ca 0.04 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 2tbd n THR 36 Cb 0.52 -1.05 0.09 0.00 -2.10 0.00 0.00 70.33 67.79 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 -0.33 0.65 -0.93 -0.78 2.10 -1.86 -0.48 116.57 114.95 2tbd h LYS 37 Ca -0.47 -0.04 0.24 0.00 -2.00 0.00 0.00 60.65 58.38 2tbd h LYS 37 Cb 1.33 -0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 32.46 2tbd h LYS 37 CO 0.46 0.43 0.63 0.93 -2.00 0.00 0.00 179.45 179.91 2tbd h GLU 38 N 0.67 0.22 0.10 0.07 5.08 -1.99 -1.18 114.58 117.54 2tbd h GLU 38 Ca 0.29 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2tbd h GLU 38 Cb 0.17 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2tbd h GLU 38 CO -0.18 0.15 -0.05 0.87 -1.00 0.00 0.00 179.01 178.80 2tbd h LYS 39 N 0.23 -0.12 -1.40 2.33 6.56 -1.42 -3.23 116.57 119.51 2tbd h LYS 39 Ca 0.47 0.01 0.41 0.00 -1.06 0.00 0.00 60.65 60.48 2tbd h LYS 39 Cb 1.47 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 33.10 2tbd h LYS 39 CO -0.12 -0.08 1.14 0.00 -2.06 0.00 0.00 179.45 178.33 2tbd h ALA 40 N -1.58 3.30 0.15 3.86 0.00 -1.19 0.38 119.26 124.18 2tbd h ALA 40 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2tbd h ALA 40 Cb 0.10 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2tbd h ALA 40 CO 0.02 -1.86 -0.07 0.00 0.00 0.00 0.00 179.25 177.34 2tbd h ALA 41 N 1.04 -0.20 0.00 0.00 0.00 -1.24 -1.21 119.26 117.65 2tbd h ALA 41 Ca 0.67 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.42 2tbd h ALA 41 Cb 2.93 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 20.79 2tbd h ALA 41 CO -0.01 -0.59 -0.41 1.37 0.00 0.00 0.00 179.25 179.62 2tbd h LEU 42 N -0.25 0.00 -1.35 0.00 8.10 -0.34 -2.84 115.31 118.62 2tbd h LEU 42 Ca -0.02 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.91 2tbd h LEU 42 Cb 0.20 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.41 2tbd h LEU 42 CO 0.03 0.41 -0.30 -0.07 -4.11 0.00 0.00 178.44 174.40 2tbd h LEU 43 N 0.00 0.00 0.24 0.17 -0.00 -0.87 0.64 115.31 115.48 2tbd h LEU 43 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2tbd h LEU 43 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2tbd h LEU 43 CO 0.05 0.30 -0.11 0.22 -0.00 0.00 0.00 178.44 178.90 2tbd h TYR 44 N 0.00 -0.30 0.00 1.13 5.03 -0.98 0.12 116.97 121.98 2tbd h TYR 44 Ca -0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2tbd h TYR 44 Cb 0.63 0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.00 2tbd h TYR 44 CO 0.00 -0.18 0.00 -0.22 -1.32 0.00 0.00 178.16 176.44 2tbd h LYS 45 N -0.43 0.00 0.00 1.82 3.64 -1.61 -2.24 116.57 117.75 2tbd h LYS 45 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2tbd h LYS 45 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2tbd h LYS 45 CO 0.05 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.86 2tbd n LYS 46 N -2.61 0.00 -0.12 1.90 4.76 0.21 -4.06 118.16 118.25 2tbd n LYS 46 Ca 0.00 0.14 0.26 0.00 -2.87 0.00 0.00 58.31 55.84 2tbd n LYS 46 Cb 0.18 -0.55 0.54 0.00 -1.84 0.00 0.00 35.03 33.36 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2tbd h ILE 47 N 0.00 0.11 0.00 -0.18 1.08 -0.85 -2.99 117.51 114.68 2tbd h ILE 47 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2tbd h ILE 47 Cb 0.00 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 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 -3.39 0.00 0.00 2.37 2.81 -0.84 -1.24 117.12 116.83 2tbd n MET 48 Ca 0.18 0.52 0.14 0.00 -1.81 0.00 0.00 57.70 56.74 2tbd n MET 48 Cb 1.25 -0.95 0.57 0.00 -0.71 0.00 0.00 33.22 33.38 2tbd n MET 48 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2tbd n GLU 49 N -1.37 0.58 0.12 0.03 1.02 -1.14 -1.20 120.64 118.69 2tbd n GLU 49 Ca 0.00 -0.21 -0.01 0.00 -0.02 0.00 0.00 57.16 56.91 2tbd n GLU 49 Cb 0.00 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.03 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2tbd h LYS 50 N 0.52 0.00 0.00 3.49 1.63 -1.15 -3.35 116.57 117.71 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 0.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2tbd h LYS 50 CO 0.00 0.67 -0.24 0.66 -3.45 0.00 0.00 179.45 177.10 2tbd n TYR 51 N -3.60 0.00 -4.09 1.91 4.02 -0.37 -5.00 117.16 110.03 2tbd n TYR 51 Ca -0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.60 2tbd n TYR 51 Cb 0.69 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.96 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 0.00 -0.32 -3.40 7.72 7.64 -0.34 -3.86 113.62 121.06 2tbd n SER 52 Ca 0.00 -1.08 -0.48 0.00 1.01 0.00 0.00 58.87 58.31 2tbd n SER 52 Cb 0.59 -2.61 -0.07 0.00 -1.01 0.00 0.00 64.21 61.12 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 -4.44 0.00 0.76 0.44 0.24 -1.15 -4.43 118.33 109.74 2tbd n VAL 53 Ca -0.27 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.12 2tbd n VAL 53 Cb 0.66 -0.33 0.42 0.00 -1.47 0.00 0.00 33.84 33.13 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 2.72 0.58 0.00 3.34 -1.04 -1.12 -4.64 114.28 114.11 2tbd n THR 54 Ca 0.22 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 2tbd n THR 54 Cb -0.03 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 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 -1.34 0.00 -4.05 -1.42 7.35 -1.26 -4.87 117.46 111.86 2tbd n PHE 55 Ca 0.07 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.43 2tbd n PHE 55 Cb 0.16 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.83 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 2.37 -0.03 -2.13 1.10 -1.24 -2.17 121.20 119.09 2tbd s ILE 56 Ca 0.00 -1.18 0.03 0.00 -0.51 0.00 0.00 60.65 59.00 2tbd s ILE 56 Cb 0.00 -2.19 0.00 0.00 0.15 0.00 0.00 42.46 40.43 2tbd s ILE 56 CO 0.00 0.26 -0.12 -0.55 -2.11 0.00 0.00 174.94 172.41 2tbd s SER 57 N 1.25 1.61 -0.30 4.50 0.15 -0.52 -1.93 113.70 118.45 2tbd s SER 57 Ca -0.01 -0.26 -0.15 0.00 0.70 0.00 0.00 55.95 56.24 2tbd s SER 57 Cb -0.16 -0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 63.67 2tbd s SER 57 CO -0.08 0.10 0.35 -0.60 1.20 0.00 0.00 173.24 174.21 2tbd s ARG 58 N 0.15 3.81 0.40 5.44 3.52 -0.73 -1.43 118.95 130.12 2tbd s ARG 58 Ca -0.04 -0.19 0.08 0.00 -0.13 0.00 0.00 55.73 55.45 2tbd s ARG 58 Cb -0.10 -3.72 -0.06 0.00 -1.56 0.00 0.00 34.95 29.51 2tbd s ARG 58 CO 0.01 -0.38 0.13 -1.01 -0.81 0.00 0.00 175.30 173.24 2tbd s HIS 59 N 2.03 2.59 -0.14 5.12 3.76 -1.04 -0.91 115.29 126.70 2tbd s HIS 59 Ca 0.13 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 2tbd s HIS 59 Cb -0.16 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 2tbd s HIS 59 CO 0.11 0.28 -0.15 -0.80 -0.85 0.00 0.00 174.74 173.33 2tbd s ASN 60 N -3.84 3.81 -0.07 1.40 0.01 -0.80 -1.45 114.94 114.00 2tbd s ASN 60 Ca 0.39 -0.40 -0.09 0.00 -0.71 0.00 0.00 52.86 52.05 2tbd s ASN 60 Cb 0.04 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 40.08 2tbd s ASN 60 CO 0.21 0.13 -0.19 -1.54 -1.51 0.00 0.00 177.10 174.21 2tbd n SER 61 N 3.75 1.43 0.00 -1.22 3.41 -1.12 -1.26 113.62 118.61 2tbd n SER 61 Ca -0.19 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2tbd n SER 61 Cb 0.52 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -3.92 0.00 0.12 7.33 4.02 -1.26 -4.81 117.16 118.64 2tbd n TYR 62 Ca -0.12 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.86 2tbd n TYR 62 Cb 0.37 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.87 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 0.00 3.09 -2.51 7.72 5.03 -1.26 -4.99 115.26 122.34 2tbd n ASN 63 Ca 0.00 -1.90 -0.12 0.00 0.87 0.00 0.00 54.58 53.43 2tbd n ASN 63 Cb 0.00 -0.22 -0.03 0.00 -1.02 0.00 0.00 39.78 38.50 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2tbd n HIS 64 N 1.08 -0.97 -4.40 3.10 8.25 -1.26 -4.77 115.22 116.25 2tbd n HIS 64 Ca 0.15 -1.82 -0.24 0.00 -0.26 0.00 0.00 57.72 55.55 2tbd n HIS 64 Cb 0.50 0.34 -0.09 0.00 1.12 0.00 0.00 29.99 31.85 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 -2.61 4.01 -0.25 0.41 0.02 -0.81 -2.81 114.94 112.90 2tbd s ASN 65 Ca 0.24 -0.96 0.00 0.00 -1.02 0.00 0.00 52.86 51.12 2tbd s ASN 65 Cb 0.00 -0.50 0.04 0.00 0.02 0.00 0.00 41.25 40.81 2tbd s ASN 65 CO 0.17 -0.10 -0.09 -0.63 0.02 0.00 0.00 177.10 176.47 2tbd s ILE 66 N -2.49 2.55 -0.80 0.60 1.09 -0.53 -2.12 121.20 119.50 2tbd s ILE 66 Ca 0.32 -1.24 -0.25 0.00 -1.10 0.00 0.00 60.65 58.39 2tbd s ILE 66 Cb -0.03 -2.34 0.05 0.00 -1.06 0.00 0.00 42.46 39.08 2tbd s ILE 66 CO 0.18 0.15 1.24 -0.22 -0.10 0.00 0.00 174.94 176.19 2tbd s LEU 67 N 1.24 3.61 -0.57 2.97 2.96 0.87 -2.50 118.68 127.26 2tbd s LEU 67 Ca -0.02 -0.88 -0.28 0.00 -0.22 0.00 0.00 54.13 52.72 2tbd s LEU 67 Cb -0.17 -2.52 0.03 0.00 0.50 0.00 0.00 46.19 44.02 2tbd s LEU 67 CO -0.06 -1.64 1.25 0.12 -1.32 0.00 0.00 176.35 174.70 2tbd s PHE 68 N 5.03 2.53 -0.09 5.38 5.36 -0.51 -2.07 117.98 133.60 2tbd s PHE 68 Ca 0.35 0.44 0.02 0.00 -0.96 0.00 0.00 56.93 56.77 2tbd s PHE 68 Cb -0.08 -4.49 0.02 0.00 -0.34 0.00 0.00 43.02 38.13 2tbd s PHE 68 CO 0.07 -1.68 -0.13 -0.59 -1.46 0.00 0.00 175.22 171.43 2tbd s PHE 69 N 5.20 1.71 0.77 10.12 -0.71 -1.04 -1.43 117.98 132.59 2tbd s PHE 69 Ca 0.46 -0.75 -0.03 0.00 -1.04 0.00 0.00 56.93 55.56 2tbd s PHE 69 Cb -0.08 -1.27 0.16 0.00 -1.21 0.00 0.00 43.02 40.62 2tbd s PHE 69 CO 0.26 -0.41 1.05 -0.11 -1.34 0.00 0.00 175.22 174.67 2tbd n LEU 70 N 4.18 0.00 -3.62 -1.99 7.94 -0.92 -2.61 117.00 119.98 2tbd n LEU 70 Ca -0.19 -1.97 -0.15 0.00 -1.11 0.00 0.00 56.01 52.59 2tbd n LEU 70 Cb 0.51 -0.71 -0.07 0.00 0.53 0.00 0.00 43.42 43.68 2tbd n LEU 70 CO 0.23 -1.07 0.25 0.42 -1.11 0.00 0.00 177.39 176.10 2tbd s THR 71 N -3.22 0.03 0.00 1.96 -4.23 0.12 -2.78 115.64 107.51 2tbd s THR 71 Ca 0.67 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 2tbd s THR 71 Cb -0.03 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.94 2tbd s THR 71 CO 0.45 -0.13 0.00 -0.81 -0.54 0.00 0.00 174.62 173.59 2tbd n PRO 72 N 0.90 0.00 -1.50 3.99 -0.04 -1.25 -4.73 135.00 132.38 2tbd n PRO 72 Ca -0.20 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.76 2tbd n PRO 72 Cb 0.57 -0.03 -0.07 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.00 1.73 -1.66 0.54 1.44 -1.26 -4.83 115.22 111.18 2tbd n HIS 73 Ca 0.00 0.26 -0.43 0.00 -2.01 0.00 0.00 57.72 55.53 2tbd n HIS 73 Cb 0.00 -2.55 -0.01 0.00 0.12 0.00 0.00 29.99 27.55 2tbd n HIS 73 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2tbd n ARG 74 N 7.81 1.84 -0.57 -1.40 1.74 -1.26 -4.95 116.66 119.88 2tbd n ARG 74 Ca 0.38 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 2tbd n ARG 74 Cb 0.24 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 2tbd n ARG 74 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2tbd n HIS 75 N 0.29 0.00 -5.12 -1.55 8.25 -0.68 -4.92 115.22 111.49 2tbd n HIS 75 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 2tbd n HIS 75 Cb 0.35 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.29 2tbd n HIS 75 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2tbd s ARG 76 N 0.15 2.58 0.63 -0.41 0.52 -1.26 -0.76 118.95 120.40 2tbd s ARG 76 Ca 0.00 -0.80 0.21 0.00 -0.52 0.00 0.00 55.73 54.62 2tbd s ARG 76 Cb 0.00 -2.06 0.99 0.00 0.52 0.00 0.00 34.95 34.40 2tbd s ARG 76 CO 0.00 0.23 1.52 0.28 0.02 0.00 0.00 175.30 177.35 2tbd h VAL 77 N 5.47 0.08 -0.04 3.52 2.07 -1.86 0.60 116.25 126.10 2tbd h VAL 77 Ca -0.26 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2tbd h VAL 77 Cb 1.21 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2tbd h VAL 77 CO 0.47 0.00 -0.25 0.77 0.02 0.00 0.00 177.57 178.58 2tbd h SER 78 N 0.00 0.29 0.57 0.57 4.64 -1.87 -0.40 113.55 117.35 2tbd h SER 78 Ca 0.17 -0.69 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 2tbd h SER 78 Cb 1.71 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.72 2tbd h SER 78 CO -0.00 0.93 -0.27 0.00 -0.87 0.00 0.00 176.83 176.61 2tbd h ALA 79 N 0.36 -0.77 -0.91 5.18 0.00 -0.19 -1.43 119.26 121.51 2tbd h ALA 79 Ca -0.02 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.78 2tbd h ALA 79 Cb 0.94 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2tbd h ALA 79 CO 0.05 -0.86 0.55 0.82 0.00 0.00 0.00 179.25 179.82 2tbd h ILE 80 N -0.91 0.97 -0.71 0.00 1.08 -1.48 0.17 117.51 116.63 2tbd h ILE 80 Ca -0.08 -0.32 0.11 0.00 -0.39 0.00 0.00 64.86 64.17 2tbd h ILE 80 Cb 0.64 -0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 2tbd h ILE 80 CO 0.13 0.17 0.47 -1.13 -0.69 0.00 0.00 178.15 177.10 2tbd h ASN 81 N 0.95 0.49 -0.78 1.72 -1.24 -0.78 0.11 115.58 116.06 2tbd h ASN 81 Ca 0.42 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.45 2tbd h ASN 81 Cb 0.31 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 2tbd h ASN 81 CO -0.22 0.29 0.48 0.78 -1.29 0.00 0.00 177.43 177.47 2tbd h ASN 82 N 0.55 0.92 0.06 1.15 2.35 0.44 0.43 115.58 121.48 2tbd h ASN 82 Ca 0.33 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2tbd h ASN 82 Cb 0.55 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2tbd h ASN 82 CO -0.11 0.70 -0.03 0.22 -1.65 0.00 0.00 177.43 176.56 2tbd h TYR 83 N 1.07 -0.07 -1.05 1.19 3.20 -0.69 -2.67 116.97 117.95 2tbd h TYR 83 Ca 0.28 -0.00 0.30 0.00 3.14 0.00 0.00 58.73 62.45 2tbd h TYR 83 Cb -0.07 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 2tbd h TYR 83 CO 0.00 -0.04 1.01 0.00 -1.64 0.00 0.00 178.16 177.49 2tbd h ALA 84 N -1.84 2.92 -0.02 1.82 0.00 -1.38 0.64 119.26 121.40 2tbd h ALA 84 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2tbd h ALA 84 Cb 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2tbd h ALA 84 CO 0.01 -1.55 -0.02 1.96 0.00 0.00 0.00 179.25 179.66 2tbd h GLN 85 N 0.00 0.05 0.00 0.00 1.08 -0.88 -2.38 115.11 112.98 2tbd h GLN 85 Ca 0.50 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 2tbd h GLN 85 Cb 2.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.94 2tbd h GLN 85 CO -0.01 0.51 0.00 0.87 -0.95 0.00 0.00 178.83 179.25 2tbd h LYS 86 N -0.42 0.00 -0.87 1.46 1.57 0.63 0.26 116.57 119.20 2tbd h LYS 86 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 2tbd h LYS 86 Cb 0.50 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 2tbd h LYS 86 CO 0.00 0.00 0.19 1.28 -0.57 0.00 0.00 179.45 180.36 2tbd n LEU 87 N -2.45 4.58 -0.16 2.94 4.77 -0.82 -3.81 117.00 122.05 2tbd n LEU 87 Ca -0.01 -2.37 0.06 0.00 -0.03 0.00 0.00 56.01 53.65 2tbd n LEU 87 Cb 0.07 -0.66 0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2tbd n LEU 87 CO 0.13 0.65 0.46 0.00 -1.33 0.00 0.00 177.39 177.31 2tbd n THR 89 N -0.87 2.99 0.00 0.00 -2.24 -1.25 -3.87 114.28 109.04 2tbd n THR 89 Ca 0.09 -2.03 0.00 0.00 -2.27 0.00 0.00 64.05 59.84 2tbd n THR 89 Cb 0.59 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 1.35 -0.23 -4.29 4.78 1.16 -1.26 -5.15 117.46 113.81 2tbd n PHE 90 Ca 0.39 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.79 2tbd n PHE 90 Cb 0.67 0.05 -0.09 0.00 -1.61 0.00 0.00 39.48 38.49 2tbd n PHE 90 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2tbd s SER 91 N -1.17 1.37 0.68 5.98 0.15 -1.25 -5.14 113.70 114.32 2tbd s SER 91 Ca 0.00 -1.63 -0.15 0.00 0.70 0.00 0.00 55.95 54.87 2tbd s SER 91 Cb 0.00 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2tbd s SER 91 CO 0.00 -0.97 1.15 0.72 1.20 0.00 0.00 173.24 175.34 2tbd s PHE 92 N -3.63 2.40 -0.03 3.44 -0.12 -1.26 -4.72 117.98 114.07 2tbd s PHE 92 Ca 0.38 1.57 -0.01 0.00 -0.05 0.00 0.00 56.93 58.82 2tbd s PHE 92 Cb 0.04 -3.29 0.03 0.00 -0.63 0.00 0.00 43.02 39.16 2tbd s PHE 92 CO 0.21 -2.03 0.06 -1.17 -0.05 0.00 0.00 175.22 172.24 2tbd s LEU 93 N -4.89 1.19 -0.45 -1.99 0.20 -1.26 -4.13 118.68 107.34 2tbd s LEU 93 Ca 0.70 0.11 0.07 0.00 0.69 0.00 0.00 54.13 55.71 2tbd s LEU 93 Cb -0.24 0.09 0.25 0.00 -0.43 0.00 0.00 46.19 45.86 2tbd s LEU 93 CO 0.42 -0.10 0.58 -0.38 -0.29 0.00 0.00 176.35 176.57 2tbd n ILE 94 N 3.90 0.08 -3.32 6.68 5.41 -0.26 -5.00 119.36 126.85 2tbd n ILE 94 Ca -0.23 -4.32 -0.38 0.00 1.00 0.00 0.00 62.75 58.81 2tbd n ILE 94 Cb 0.53 -1.99 -0.06 0.00 -0.71 0.00 0.00 39.64 37.40 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 -1.14 0.60 1.00 0.00 1.02 -1.04 -4.92 119.74 115.25 2tbd s LYS 96 Ca 0.28 -0.83 -0.12 0.00 0.02 0.00 0.00 55.97 55.32 2tbd s LYS 96 Cb -0.19 0.23 0.19 0.00 -0.52 0.00 0.00 37.83 37.54 2tbd s LYS 96 CO 0.18 -0.15 1.10 0.20 -0.92 0.00 0.00 175.35 175.76 2tbd s GLY 97 N -2.26 1.56 -0.11 -3.33 0.00 -1.26 -1.39 107.32 100.53 2tbd s GLY 97 Ca -0.03 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.29 2tbd s GLY 97 CO -0.06 0.20 -0.14 0.14 0.00 0.00 0.00 173.10 173.24 2tbd s VAL 98 N -3.02 1.42 -0.20 1.40 1.01 -0.69 -2.92 120.40 117.40 2tbd s VAL 98 Ca 0.65 -0.59 0.17 0.00 0.00 0.00 0.00 61.98 62.21 2tbd s VAL 98 Cb -0.18 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 34.96 2tbd s VAL 98 CO 0.57 0.43 1.32 -1.13 0.00 0.00 0.00 175.10 176.29 2tbd h ASN 99 N 7.45 0.00 -3.19 3.32 -0.73 -1.74 -3.43 115.58 117.26 2tbd h ASN 99 Ca -0.31 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.36 2tbd h ASN 99 Cb 1.17 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 39.36 2tbd h ASN 99 CO 0.48 0.39 -0.76 -0.75 -0.37 0.00 0.00 177.43 176.42 2tbd s LYS 100 N -3.03 0.45 0.00 6.67 2.20 -1.26 -5.01 119.74 119.76 2tbd s LYS 100 Ca 0.03 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2tbd s LYS 100 Cb 0.07 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 2tbd s LYS 100 CO 0.75 -0.66 0.30 0.39 -0.36 0.00 0.00 175.35 175.77 2tbd n GLU 101 N 5.13 0.00 -0.45 4.03 4.71 -1.26 -1.38 120.64 131.41 2tbd n GLU 101 Ca -0.08 0.12 0.38 0.00 -0.01 0.00 0.00 57.16 57.57 2tbd n GLU 101 Cb 0.48 -0.86 0.65 0.00 -1.01 0.00 0.00 31.44 30.70 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 -0.85 0.70 0.00 -0.32 4.19 -1.26 -1.65 117.16 117.98 2tbd n TYR 102 Ca 0.00 0.71 0.00 0.00 3.31 0.00 0.00 57.90 61.92 2tbd n TYR 102 Cb 0.00 -1.14 0.00 0.00 0.49 0.00 0.00 39.34 38.69 2tbd n TYR 102 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 2tbd n LEU 103 N -4.68 0.02 -0.36 2.98 -0.00 -1.23 -1.34 117.00 112.39 2tbd n LEU 103 Ca 0.39 0.70 0.07 0.00 -0.00 0.00 0.00 56.01 57.17 2tbd n LEU 103 Cb 1.50 -0.49 0.16 0.00 -0.00 0.00 0.00 43.42 44.59 2tbd n LEU 103 CO 0.17 -0.49 0.68 0.80 -0.00 0.00 0.00 177.39 178.54 2tbd n MET 104 N -1.98 -0.09 -0.17 1.96 1.56 -0.48 0.92 117.12 118.84 2tbd n MET 104 Ca 0.00 1.55 -0.08 0.00 -0.27 0.00 0.00 57.70 58.90 2tbd n MET 104 Cb 0.00 -2.33 0.01 0.00 2.15 0.00 0.00 33.22 33.05 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 0.74 0.26 1.12 5.03 -1.41 -0.98 116.97 121.72 2tbd h TYR 105 Ca 0.50 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.76 2tbd h TYR 105 Cb 0.80 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.83 2tbd h TYR 105 CO -0.73 0.60 -0.40 1.03 -1.32 0.00 0.00 178.16 177.33 2tbd h SER 106 N 0.66 -1.16 0.00 -2.11 0.87 0.18 0.18 113.55 112.17 2tbd h SER 106 Ca 0.17 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2tbd h SER 106 Cb 0.15 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2tbd h SER 106 CO -0.02 -0.48 0.11 0.00 -0.53 0.00 0.00 176.83 175.91 2tbd h ALA 107 N -0.95 1.11 -0.03 6.23 0.00 -1.19 0.27 119.26 124.71 2tbd h ALA 107 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2tbd h ALA 107 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2tbd h ALA 107 CO -0.13 -0.11 -0.83 -0.07 0.00 0.00 0.00 179.25 178.11 2tbd h LEU 108 N 0.00 0.40 0.00 0.00 3.38 0.70 -3.14 115.31 116.65 2tbd h LEU 108 Ca 0.00 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2tbd h LEU 108 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2tbd h LEU 108 CO 0.00 1.07 -0.44 0.71 0.09 0.00 0.00 178.44 179.87 2tbd h THR 109 N 0.20 0.72 -3.32 0.22 1.35 0.53 -3.35 112.91 109.25 2tbd h THR 109 Ca -0.05 -2.02 -0.57 0.00 -0.55 0.00 0.00 66.41 63.22 2tbd h THR 109 Cb 1.43 2.35 -0.06 0.00 -1.73 0.00 0.00 68.15 70.14 2tbd h THR 109 CO 0.14 0.41 -0.02 -0.13 -0.25 0.00 0.00 175.52 175.67 2tbd s ARG 110 N -3.00 4.35 0.87 4.72 0.52 -0.94 -4.77 118.95 120.70 2tbd s ARG 110 Ca 0.04 0.71 -0.16 0.00 -0.52 0.00 0.00 55.73 55.80 2tbd s ARG 110 Cb 0.07 -3.38 -0.11 0.00 0.52 0.00 0.00 34.95 32.05 2tbd s ARG 110 CO 0.74 0.26 -0.33 -0.25 0.02 0.00 0.00 175.30 175.74 2tbd n ASP 111 N 3.16 -4.39 -0.39 0.23 8.00 -1.26 -2.06 116.55 119.83 2tbd n ASP 111 Ca -0.06 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.79 2tbd n ASP 111 Cb 0.51 -0.90 0.01 0.00 -0.02 0.00 0.00 41.12 40.72 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2tbd n PRO 112 N 1.24 1.11 -2.98 -0.24 -0.04 -1.26 -5.02 135.00 127.81 2tbd n PRO 112 Ca 0.03 -0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 2tbd n PRO 112 Cb 0.53 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.34 2.95 0.89 0.54 0.08 -0.88 -4.76 117.98 115.46 2tbd s PHE 113 Ca 0.02 -0.05 -0.13 0.00 0.12 0.00 0.00 56.93 56.88 2tbd s PHE 113 Cb 0.01 -3.72 0.13 0.00 -0.57 0.00 0.00 43.02 38.87 2tbd s PHE 113 CO 0.01 -1.09 1.21 0.45 -0.10 0.00 0.00 175.22 175.69 2tbd s SER 114 N 2.43 3.77 -0.16 1.36 0.15 -0.39 -3.96 113.70 116.92 2tbd s SER 114 Ca 0.26 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2tbd s SER 114 Cb -0.14 -1.04 0.03 0.00 -1.71 0.00 0.00 66.02 63.16 2tbd s SER 114 CO 0.19 -2.36 -0.10 -0.69 1.20 0.00 0.00 173.24 171.48 2tbd s VAL 115 N -3.58 1.38 -0.03 4.45 1.01 -1.26 -1.91 120.40 120.46 2tbd s VAL 115 Ca 0.66 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 2tbd s VAL 115 Cb -0.10 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2tbd s VAL 115 CO 0.51 0.30 -0.00 0.40 0.00 0.00 0.00 175.10 176.31 2tbd h ILE 116 N 6.23 0.00 -1.89 2.22 2.04 -1.33 -3.47 117.51 121.30 2tbd h ILE 116 Ca -0.31 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2tbd h ILE 116 Cb 1.12 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2tbd h ILE 116 CO 0.47 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.78 2tbd n GLU 117 N -2.87 0.00 -3.76 2.37 0.28 -1.01 -4.99 120.64 110.65 2tbd n GLU 117 Ca -0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 2tbd n GLU 117 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2tbd n GLU 117 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2tbd s GLU 118 N -1.69 0.41 -0.02 3.44 1.03 -1.26 -1.77 118.70 118.85 2tbd s GLU 118 Ca 0.00 -0.25 0.11 0.00 0.03 0.00 0.00 54.97 54.86 2tbd s GLU 118 Cb 0.00 0.13 -0.23 0.00 -0.80 0.00 0.00 34.13 33.23 2tbd s GLU 118 CO 0.00 -0.19 0.76 1.03 -1.33 0.00 0.00 175.26 175.53 2tbd h SER 119 N 2.00 0.02 -2.92 0.83 0.87 -1.78 -3.46 113.55 109.10 2tbd h SER 119 Ca -0.27 -0.03 -0.62 0.00 -1.23 0.00 0.00 61.79 59.63 2tbd h SER 119 Cb 1.20 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.10 2tbd h SER 119 CO 0.30 1.03 -0.32 -0.76 -0.53 0.00 0.00 176.83 176.54 2tbd s LEU 120 N -6.23 4.40 0.00 2.23 1.43 -1.26 -4.96 118.68 114.29 2tbd s LEU 120 Ca -0.04 0.71 0.29 0.00 -1.03 0.00 0.00 54.13 54.05 2tbd s LEU 120 Cb 0.08 -2.59 1.63 0.00 0.03 0.00 0.00 46.19 45.34 2tbd s LEU 120 CO 0.82 0.29 2.05 -0.81 0.23 0.00 0.00 176.35 178.93 2tbd n PRO 121 N 1.45 0.71 -0.18 1.29 -0.04 -1.26 -3.31 135.00 133.65 2tbd n PRO 121 Ca -0.13 0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.35 2tbd n PRO 121 Cb 0.53 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.50 2tbd n PRO 121 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2tbd n GLY 122 N 0.95 -0.57 7.00 0.55 0.00 -1.26 -5.13 105.19 106.73 2tbd n GLY 122 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.16 -0.90 0.00 -0.02 0.00 -1.21 -4.86 105.19 98.05 2tbd n GLY 123 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 4.77 -1.26 -4.79 117.00 116.71 2tbd n LEU 124 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2tbd n LEU 124 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2tbd n LEU 124 CO 0.00 -0.34 0.00 1.17 -1.33 0.00 0.00 177.39 176.89 2tbd n LYS 125 N -0.47 0.00 -0.25 3.23 0.00 -1.26 -4.95 118.16 114.46 2tbd n LYS 125 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.28 2tbd n LYS 125 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.09 2tbd n LYS 125 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2tbd n GLU 126 N 0.00 1.50 0.00 1.64 0.28 -1.26 -4.03 120.64 118.77 2tbd n GLU 126 Ca 0.00 -0.69 0.00 0.00 -0.16 0.00 0.00 57.16 56.31 2tbd n GLU 126 Cb 0.00 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.46 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 0.13 0.00 -0.28 -1.84 8.25 -1.26 -4.26 115.22 115.96 2tbd n HIS 127 Ca 0.11 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.63 2tbd n HIS 127 Cb 0.66 -0.44 0.16 0.00 1.12 0.00 0.00 29.99 31.50 2tbd n HIS 127 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2tbd n ASP 128 N -1.81 3.04 0.00 0.41 2.03 -1.26 -4.81 116.55 114.15 2tbd n ASP 128 Ca 0.00 -2.13 0.00 0.00 0.52 0.00 0.00 54.79 53.18 2tbd n ASP 128 Cb 0.00 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 0.36 0.00 -3.37 -0.67 3.01 -1.26 -4.81 117.46 110.72 2tbd n PHE 129 Ca 0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.17 2tbd n PHE 129 Cb 0.48 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.86 2tbd n PHE 129 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2tbd s ASN 130 N -1.00 6.18 0.12 4.37 0.01 -1.26 -5.05 114.94 118.30 2tbd s ASN 130 Ca 0.00 -0.53 -0.30 0.00 -0.71 0.00 0.00 52.86 51.32 2tbd s ASN 130 Cb 0.00 -2.20 -0.06 0.00 0.41 0.00 0.00 41.25 39.39 2tbd s ASN 130 CO 0.00 -0.47 1.05 -2.16 -1.51 0.00 0.00 177.10 174.01 2tbd s PRO 131 N 2.03 4.61 -0.40 -0.60 0.04 -1.26 -4.86 135.00 134.56 2tbd s PRO 131 Ca 0.11 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 2tbd s PRO 131 Cb -0.17 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.04 2tbd s PRO 131 CO 0.12 0.07 0.31 -2.00 0.04 0.00 0.00 177.00 175.54 2tbd s GLU 132 N 0.11 3.10 -0.27 4.56 2.56 -1.26 -4.70 118.70 122.79 2tbd s GLU 132 Ca 0.50 -0.90 -0.19 0.00 0.00 0.00 0.00 54.97 54.38 2tbd s GLU 132 Cb -0.26 -3.94 0.03 0.00 2.00 0.00 0.00 34.13 31.95 2tbd s GLU 132 CO 0.31 -0.70 0.36 0.43 -0.56 0.00 0.00 175.26 175.10 2tbd n SER 133 N 5.21 -6.38 0.00 -1.70 7.64 -1.26 -5.30 113.62 111.83 2tbd n SER 133 Ca -0.11 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2tbd n SER 133 Cb 0.48 -2.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79