#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 -4.90 -4.86 1.61 7.64 -1.26 -4.94 113.62 106.92 2tbd n SER 2 Ca 0.00 0.15 -0.31 0.00 1.01 0.00 0.00 58.87 59.72 2tbd n SER 2 Cb 0.00 -4.17 -0.04 0.00 -1.01 0.00 0.00 64.21 58.99 2tbd n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2tbd s LYS 3 N -4.70 3.90 0.00 1.43 -0.14 -1.26 -4.92 119.74 114.05 2tbd s LYS 3 Ca 0.00 0.64 0.00 0.00 -1.36 0.00 0.00 55.97 55.25 2tbd s LYS 3 Cb 0.00 -2.36 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 2tbd s LYS 3 CO 0.00 -0.01 0.00 1.55 -0.76 0.00 0.00 175.35 176.13 2tbd n VAL 4 N -0.99 0.00 -3.26 3.17 3.14 -1.26 -4.43 118.33 114.70 2tbd n VAL 4 Ca 0.04 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.03 2tbd n VAL 4 Cb 0.54 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.26 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2tbd s GLU 5 N 0.00 4.33 0.28 1.45 2.56 -1.26 -5.05 118.70 121.00 2tbd s GLU 5 Ca 0.00 0.57 -0.24 0.00 0.00 0.00 0.00 54.97 55.30 2tbd s GLU 5 Cb 0.00 -3.41 -0.09 0.00 2.00 0.00 0.00 34.13 32.63 2tbd s GLU 5 CO 0.00 0.21 0.85 -0.51 -0.56 0.00 0.00 175.26 175.26 2tbd s ASP 6 N 0.40 7.23 -0.09 -1.70 1.01 -1.26 -5.02 116.67 117.24 2tbd s ASP 6 Ca 0.29 1.67 -0.30 0.00 0.71 0.00 0.00 52.55 54.92 2tbd s ASP 6 Cb -0.16 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 2tbd s ASP 6 CO 0.13 -0.02 1.07 -2.16 0.21 0.00 0.00 175.17 174.40 2tbd s PRO 7 N -2.00 4.39 0.00 8.23 0.04 -1.26 -4.92 135.00 139.48 2tbd s PRO 7 Ca 0.47 1.49 0.22 0.00 0.04 0.00 0.00 61.00 63.21 2tbd s PRO 7 Cb -0.18 -3.55 0.68 0.00 0.04 0.00 0.00 34.50 31.49 2tbd s PRO 7 CO 0.23 -0.37 1.52 1.63 0.04 0.00 0.00 177.00 180.04 2tbd n LYS 8 N 5.12 1.90 -3.21 4.56 5.02 -1.26 -4.93 118.16 125.35 2tbd n LYS 8 Ca 0.10 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 2tbd n LYS 8 Cb 0.48 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 2tbd n LYS 8 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2tbd n ASP 9 N 0.57 0.00 -4.63 4.39 -0.08 -1.26 -5.05 116.55 110.49 2tbd n ASP 9 Ca 0.17 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.13 2tbd n ASP 9 Cb 0.39 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.01 2tbd n ASP 9 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2tbd n PHE 10 N 0.05 0.52 -2.20 -0.67 3.72 -1.26 -4.97 117.46 112.64 2tbd n PHE 10 Ca 0.00 0.37 -0.32 0.00 -0.05 0.00 0.00 57.45 57.45 2tbd n PHE 10 Cb 0.00 -1.97 -0.01 0.00 -0.94 0.00 0.00 39.48 36.56 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 -4.47 3.60 0.18 -1.08 0.04 -1.26 -4.85 135.00 127.15 2tbd s PRO 11 Ca 0.66 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 2tbd s PRO 11 Cb -0.23 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.32 2tbd s PRO 11 CO 0.59 -0.57 1.81 0.66 0.04 0.00 0.00 177.00 179.52 2tbd h SER 12 N 0.66 0.72 0.00 6.66 4.64 -1.98 0.51 113.55 124.76 2tbd h SER 12 Ca -0.47 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2tbd h SER 12 Cb 1.21 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2tbd h SER 12 CO 0.59 0.58 0.27 -0.08 -0.87 0.00 0.00 176.83 177.32 2tbd h GLU 13 N 0.80 0.00 0.00 4.77 4.81 -2.03 0.78 114.58 123.70 2tbd h GLU 13 Ca 0.21 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2tbd h GLU 13 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2tbd h GLU 13 CO -0.04 0.00 -1.62 1.28 -0.73 0.00 0.00 179.01 177.90 2tbd n LEU 14 N -2.71 0.00 0.00 1.64 4.32 -0.43 -4.33 117.00 115.49 2tbd n LEU 14 Ca -0.02 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.03 2tbd n LEU 14 Cb 0.31 0.02 0.27 0.00 -1.62 0.00 0.00 43.42 42.40 2tbd n LEU 14 CO 0.12 0.02 0.66 0.18 -1.22 0.00 0.00 177.39 177.15 2tbd n LEU 15 N -1.99 0.00 0.28 2.23 4.77 0.26 -2.36 117.00 120.19 2tbd n LEU 15 Ca -0.03 0.38 0.19 0.00 -0.03 0.00 0.00 56.01 56.52 2tbd n LEU 15 Cb 0.38 -0.38 0.93 0.00 -2.33 0.00 0.00 43.42 42.01 2tbd n LEU 15 CO 0.28 -0.23 1.05 0.28 -1.33 0.00 0.00 177.39 177.44 2tbd h SER 16 N 0.00 0.00 -1.10 -1.43 0.02 -1.73 -3.30 113.55 106.01 2tbd h SER 16 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 2tbd h SER 16 Cb 0.15 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.43 2tbd h SER 16 CO 0.00 0.00 -0.79 2.22 -1.14 0.00 0.00 176.83 177.12 2tbd n PHE 17 N -2.88 -1.96 -3.52 3.45 1.16 -0.99 -5.13 117.46 107.58 2tbd n PHE 17 Ca -0.01 -2.59 0.00 0.00 -1.87 0.00 0.00 57.45 52.97 2tbd n PHE 17 Cb 0.14 0.66 0.00 0.00 -1.61 0.00 0.00 39.48 38.67 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 1.75 0.00 -0.10 5.98 4.77 -1.25 -4.28 117.00 123.87 2tbd n LEU 18 Ca 0.16 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 2tbd n LEU 18 Cb 0.57 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 2tbd n LEU 18 CO 0.10 0.00 -1.15 -1.20 -1.33 0.00 0.00 177.39 173.81 2tbd n SER 19 N -0.72 1.40 -2.27 -1.43 7.64 -1.24 -3.93 113.62 113.06 2tbd n SER 19 Ca 0.00 0.24 -0.03 0.00 1.01 0.00 0.00 58.87 60.09 2tbd n SER 19 Cb 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2tbd n HIS 20 N -3.89 -1.81 0.00 1.43 -0.00 -1.26 -5.01 115.22 104.68 2tbd n HIS 20 Ca -0.37 0.72 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 2tbd n HIS 20 Cb 0.76 -2.92 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd n ALA 21 N -0.75 0.00 0.00 -1.41 0.00 -1.26 -5.08 120.51 112.01 2tbd n ALA 21 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2tbd n ALA 21 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2tbd n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2tbd n VAL 22 N -0.06 0.00 -2.00 0.00 0.31 -1.26 -4.76 118.33 110.56 2tbd n VAL 22 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2tbd n VAL 22 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 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 -1.44 3.12 -0.75 3.52 3.72 -1.26 -2.26 117.46 122.10 2tbd n PHE 23 Ca 0.00 -2.69 -0.29 0.00 -0.05 0.00 0.00 57.45 54.42 2tbd n PHE 23 Cb 0.00 -0.73 0.24 0.00 -0.94 0.00 0.00 39.48 38.06 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2tbd s SER 24 N -2.49 0.93 0.00 4.37 0.01 -1.26 -4.97 113.70 110.29 2tbd s SER 24 Ca 0.53 1.15 0.07 0.00 1.31 0.00 0.00 55.95 59.01 2tbd s SER 24 Cb 0.43 -1.76 -0.08 0.00 0.21 0.00 0.00 66.02 64.83 2tbd s SER 24 CO -0.18 -4.18 0.32 -3.20 0.41 0.00 0.00 173.24 166.42 2tbd n ASN 25 N -4.86 0.38 -2.47 2.44 2.85 -1.26 -4.89 115.26 107.44 2tbd n ASN 25 Ca 0.06 -0.69 -0.07 0.00 -0.11 0.00 0.00 54.58 53.78 2tbd n ASN 25 Cb 0.57 0.98 0.05 0.00 1.24 0.00 0.00 39.78 42.61 2tbd n ASN 25 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2tbd n ARG 26 N -1.14 -0.19 -3.68 1.20 1.74 -1.26 -5.06 116.66 108.27 2tbd n ARG 26 Ca 0.01 -0.51 -0.30 0.00 -0.77 0.00 0.00 57.85 56.29 2tbd n ARG 26 Cb 0.12 -0.30 -0.13 0.00 -1.02 0.00 0.00 32.46 31.12 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2tbd s THR 27 N -1.51 1.08 0.60 0.55 -4.23 -1.26 -4.43 115.64 106.44 2tbd s THR 27 Ca 0.17 -2.13 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 2tbd s THR 27 Cb -0.01 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 2tbd s THR 27 CO 0.12 -0.85 0.99 -0.76 -0.54 0.00 0.00 174.62 173.58 2tbd s LEU 28 N 0.79 3.28 -0.01 4.79 1.43 0.21 -4.40 118.68 124.76 2tbd s LEU 28 Ca 0.16 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.59 2tbd s LEU 28 Cb -0.22 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 2tbd s LEU 28 CO -0.06 -0.85 0.02 0.00 0.23 0.00 0.00 176.35 175.69 2tbd n ALA 29 N -2.68 2.00 -2.62 4.21 0.00 -1.26 -1.60 120.51 118.55 2tbd n ALA 29 Ca 0.05 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 2tbd n ALA 29 Cb 0.54 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.40 0.30 -0.42 0.00 0.40 -0.96 -2.16 117.98 114.73 2tbd s PHE 31 Ca 0.22 -0.61 -0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2tbd s PHE 31 Cb -0.15 -0.22 0.11 0.00 0.51 0.00 0.00 43.02 43.27 2tbd s PHE 31 CO 0.10 -0.23 0.18 0.00 0.70 0.00 0.00 175.22 175.97 2tbd s ALA 32 N -1.88 3.13 -0.82 5.36 0.00 -0.45 -2.63 121.76 124.47 2tbd s ALA 32 Ca -0.12 -2.66 -0.24 0.00 0.00 0.00 0.00 51.96 48.94 2tbd s ALA 32 Cb -0.07 -2.28 0.05 0.00 0.00 0.00 0.00 23.12 20.82 2tbd s ALA 32 CO -0.02 -1.81 1.26 0.42 0.00 0.00 0.00 175.76 175.61 2tbd s ILE 33 N 0.85 3.95 -0.35 0.00 1.01 -0.61 -2.53 121.20 123.52 2tbd s ILE 33 Ca 0.11 -0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 2tbd s ILE 33 Cb -0.22 -4.91 0.01 0.00 0.01 0.00 0.00 42.46 37.35 2tbd s ILE 33 CO -0.05 -1.79 0.76 -0.47 0.00 0.00 0.00 174.94 173.39 2tbd s TYR 34 N 5.01 3.13 0.08 3.97 5.04 -0.67 -0.81 117.35 133.11 2tbd s TYR 34 Ca 0.36 0.56 -0.11 0.00 -2.44 0.00 0.00 57.07 55.44 2tbd s TYR 34 Cb -0.07 -3.32 0.01 0.00 0.35 0.00 0.00 41.96 38.92 2tbd s TYR 34 CO 0.05 -0.69 0.24 0.95 -1.34 0.00 0.00 175.55 174.76 2tbd s THR 35 N 3.01 0.12 1.09 4.34 -4.23 -1.08 0.11 115.64 119.00 2tbd s THR 35 Ca 0.30 -0.97 -0.18 0.00 -1.18 0.00 0.00 61.69 59.66 2tbd s THR 35 Cb -0.14 -1.18 0.09 0.00 1.34 0.00 0.00 72.50 72.62 2tbd s THR 35 CO 0.16 -0.54 0.06 0.35 -0.54 0.00 0.00 174.62 174.11 2tbd n THR 36 N 0.15 0.00 0.19 3.99 -2.24 -1.26 -2.38 114.28 112.72 2tbd n THR 36 Ca -0.16 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.18 2tbd n THR 36 Cb 0.61 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.98 -0.69 0.00 -0.78 2.10 -1.86 -0.23 116.57 113.12 2tbd h LYS 37 Ca -0.52 0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2tbd h LYS 37 Cb 1.35 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.83 2tbd h LYS 37 CO 0.38 -0.46 0.09 0.39 -2.00 0.00 0.00 179.45 177.85 2tbd n GLU 38 N -5.47 0.10 -0.09 0.07 1.02 -1.26 -1.76 120.64 113.24 2tbd n GLU 38 Ca -0.09 0.57 -0.16 0.00 -0.02 0.00 0.00 57.16 57.47 2tbd n GLU 38 Cb 0.37 -1.91 -0.08 0.00 -0.02 0.00 0.00 31.44 29.81 2tbd n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2tbd n LYS 39 N -2.02 0.52 0.25 3.49 5.02 -0.19 -3.79 118.16 121.45 2tbd n LYS 39 Ca -0.01 0.54 0.08 0.00 -2.02 0.00 0.00 58.31 56.90 2tbd n LYS 39 Cb 0.12 -1.71 0.63 0.00 -0.02 0.00 0.00 35.03 34.05 2tbd n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2tbd h ALA 40 N -0.71 1.77 0.00 7.82 0.00 -0.98 -0.44 119.26 126.71 2tbd h ALA 40 Ca -0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2tbd h ALA 40 Cb 1.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2tbd h ALA 40 CO -0.14 0.10 -0.20 0.00 0.00 0.00 0.00 179.25 179.00 2tbd h ALA 41 N 1.92 1.09 0.00 0.00 0.00 -1.51 -1.20 119.26 119.56 2tbd h ALA 41 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2tbd h ALA 41 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2tbd h ALA 41 CO 0.01 0.25 -0.69 -0.07 0.00 0.00 0.00 179.25 178.75 2tbd h LEU 42 N 0.00 0.00 -1.09 0.00 3.38 -1.21 -3.35 115.31 113.04 2tbd h LEU 42 Ca -0.00 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.87 2tbd h LEU 42 Cb 0.64 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2tbd h LEU 42 CO 0.03 0.98 0.62 -0.07 0.09 0.00 0.00 178.44 180.09 2tbd h LEU 43 N -1.00 0.88 -0.31 1.67 3.38 -1.39 -0.56 115.31 117.98 2tbd h LEU 43 Ca -0.11 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2tbd h LEU 43 Cb 0.75 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 2tbd h LEU 43 CO -0.07 0.49 -0.43 0.22 0.09 0.00 0.00 178.44 178.74 2tbd h TYR 44 N 0.96 -1.32 0.00 1.13 5.03 -1.38 0.28 116.97 121.68 2tbd h TYR 44 Ca 0.46 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.82 2tbd h TYR 44 Cb 0.45 0.62 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 2tbd h TYR 44 CO -0.00 -0.38 -0.07 0.87 -1.32 0.00 0.00 178.16 177.26 2tbd h LYS 45 N -0.31 0.00 0.00 1.82 1.79 -1.58 -0.81 116.57 117.48 2tbd h LYS 45 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2tbd h LYS 45 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2tbd h LYS 45 CO -0.46 0.07 0.00 1.17 -1.08 0.00 0.00 179.45 179.15 2tbd n LYS 46 N -3.22 0.00 0.21 3.15 3.00 0.83 -3.16 118.16 118.97 2tbd n LYS 46 Ca 0.00 0.22 0.15 0.00 -0.00 0.00 0.00 58.31 58.67 2tbd n LYS 46 Cb 0.32 -1.04 0.76 0.00 0.00 0.00 0.00 35.03 35.07 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2tbd h ILE 47 N 0.00 0.00 -0.47 3.15 2.04 -1.21 -3.15 117.51 117.88 2tbd h ILE 47 Ca 0.00 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2tbd h ILE 47 Cb 0.00 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 2tbd h ILE 47 CO 0.00 0.00 -0.38 -0.03 0.00 0.00 0.00 178.15 177.74 2tbd h MET 48 N 0.00 -0.12 0.00 2.37 4.05 -1.09 -1.32 114.93 118.82 2tbd h MET 48 Ca 0.00 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2tbd h MET 48 Cb 0.06 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2tbd h MET 48 CO 0.00 -0.08 -0.66 -1.91 0.23 0.00 0.00 176.91 174.49 2tbd n GLU 49 N -4.46 0.47 -0.30 0.39 0.00 -1.19 -1.25 120.64 114.30 2tbd n GLU 49 Ca -0.00 0.44 0.33 0.00 0.00 0.00 0.00 57.16 57.92 2tbd n GLU 49 Cb 0.20 -1.62 0.52 0.00 0.00 0.00 0.00 31.44 30.54 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2tbd h LYS 50 N -1.00 0.00 0.00 5.31 3.64 -1.67 0.20 116.57 123.05 2tbd h LYS 50 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2tbd h LYS 50 Cb 0.65 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2tbd h LYS 50 CO -0.00 0.00 -1.27 0.66 -2.27 0.00 0.00 179.45 176.57 2tbd n TYR 51 N -3.40 0.00 -3.36 1.91 4.02 -0.53 -5.01 117.16 110.80 2tbd n TYR 51 Ca 0.27 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.96 2tbd n TYR 51 Cb 1.59 -0.17 0.06 0.00 -0.02 0.00 0.00 39.34 40.81 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2tbd n SER 52 N -1.90 -5.60 -3.83 7.72 7.64 0.69 -4.66 113.62 113.68 2tbd n SER 52 Ca -0.04 -0.43 -0.48 0.00 1.01 0.00 0.00 58.87 58.94 2tbd n SER 52 Cb 0.37 -4.23 -0.06 0.00 -1.01 0.00 0.00 64.21 59.28 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 -4.55 0.46 0.33 0.44 0.24 -1.18 -4.69 118.33 109.38 2tbd n VAL 53 Ca -0.00 -0.12 0.07 0.00 -2.04 0.00 0.00 64.34 62.25 2tbd n VAL 53 Cb 0.55 0.00 0.29 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.94 1.21 -3.19 3.34 -1.04 -1.26 -4.59 114.28 109.70 2tbd n THR 54 Ca 0.17 0.35 0.04 0.00 -2.04 0.00 0.00 64.05 62.57 2tbd n THR 54 Cb 0.11 -1.22 -0.04 0.00 -1.82 0.00 0.00 70.33 67.36 2tbd n THR 54 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2tbd s PHE 55 N -3.11 -0.11 -0.25 -1.42 5.36 -1.26 -4.95 117.98 112.25 2tbd s PHE 55 Ca 0.04 0.18 -0.01 0.00 -0.96 0.00 0.00 56.93 56.18 2tbd s PHE 55 Cb 0.07 0.06 0.08 0.00 -0.34 0.00 0.00 43.02 42.89 2tbd s PHE 55 CO 0.22 -0.05 0.04 -1.50 -1.46 0.00 0.00 175.22 172.46 2tbd s ILE 56 N 2.12 0.90 0.12 3.12 2.07 -1.26 -2.33 121.20 125.96 2tbd s ILE 56 Ca -0.00 -1.04 0.09 0.00 -1.41 0.00 0.00 60.65 58.29 2tbd s ILE 56 Cb -0.01 -1.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.08 2tbd s ILE 56 CO -0.16 -0.36 -0.16 -0.55 -1.91 0.00 0.00 174.94 171.79 2tbd s SER 57 N 1.65 3.97 -0.31 4.50 0.15 -0.19 -3.31 113.70 120.16 2tbd s SER 57 Ca 0.02 -0.55 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 2tbd s SER 57 Cb -0.18 -0.59 0.04 0.00 -1.71 0.00 0.00 66.02 63.59 2tbd s SER 57 CO -0.14 0.17 0.04 -0.60 1.20 0.00 0.00 173.24 173.91 2tbd s ARG 58 N -2.24 2.60 0.24 5.44 3.52 -0.53 -1.17 118.95 126.80 2tbd s ARG 58 Ca 0.19 -1.17 0.03 0.00 -0.13 0.00 0.00 55.73 54.65 2tbd s ARG 58 Cb -0.10 -3.30 0.03 0.00 -1.56 0.00 0.00 34.95 30.02 2tbd s ARG 58 CO 0.11 -0.61 0.24 0.72 -0.81 0.00 0.00 175.30 174.96 2tbd n HIS 59 N 4.72 -1.77 -4.41 5.12 8.25 -0.96 -1.19 115.22 124.99 2tbd n HIS 59 Ca -0.13 -0.95 -0.19 0.00 -0.26 0.00 0.00 57.72 56.19 2tbd n HIS 59 Cb 0.45 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 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 -2.43 1.25 0.00 0.41 0.01 -0.81 -1.58 114.94 111.79 2tbd s ASN 60 Ca 0.18 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 2tbd s ASN 60 Cb -0.01 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.52 2tbd s ASN 60 CO 0.12 0.10 0.00 -1.54 -1.51 0.00 0.00 177.10 174.27 2tbd n SER 61 N 2.65 0.00 -0.03 -1.22 3.41 -0.63 -1.77 113.62 116.04 2tbd n SER 61 Ca -0.15 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.43 2tbd n SER 61 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.01 7.33 4.02 -1.26 -4.66 117.16 120.58 2tbd n TYR 62 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2tbd n TYR 62 Cb 0.00 -0.24 -0.00 0.00 -0.02 0.00 0.00 39.34 39.07 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 -2.44 -0.04 -0.73 7.72 3.02 -1.26 -5.13 115.26 116.40 2tbd n ASN 63 Ca -0.10 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 2tbd n ASN 63 Cb 0.64 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2tbd n HIS 64 N 0.01 -0.45 -4.37 3.10 8.25 -1.26 -4.60 115.22 115.90 2tbd n HIS 64 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 2tbd n HIS 64 Cb 0.57 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.30 1.83 -0.48 0.41 -0.87 -1.00 -1.60 114.94 112.93 2tbd s ASN 65 Ca 0.00 -0.50 -0.16 0.00 -1.57 0.00 0.00 52.86 50.64 2tbd s ASN 65 Cb 0.00 -0.12 0.08 0.00 -0.02 0.00 0.00 41.25 41.19 2tbd s ASN 65 CO 0.00 0.04 0.42 -0.63 -2.57 0.00 0.00 177.10 174.36 2tbd s ILE 66 N -0.91 5.22 -0.92 0.60 -1.09 -0.62 -2.62 121.20 120.86 2tbd s ILE 66 Ca 0.02 -1.07 -0.24 0.00 -2.23 0.00 0.00 60.65 57.13 2tbd s ILE 66 Cb -0.08 -4.15 0.03 0.00 -1.58 0.00 0.00 42.46 36.67 2tbd s ILE 66 CO 0.02 -0.61 1.48 -0.22 -1.23 0.00 0.00 174.94 174.37 2tbd s LEU 67 N 1.69 3.37 -0.09 2.97 2.96 0.01 -2.27 118.68 127.32 2tbd s LEU 67 Ca 0.04 -1.02 -0.30 0.00 -0.22 0.00 0.00 54.13 52.64 2tbd s LEU 67 Cb -0.25 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 2tbd s LEU 67 CO 0.07 -1.77 1.01 0.12 -1.32 0.00 0.00 176.35 174.46 2tbd s PHE 68 N 5.91 3.51 -0.22 5.38 5.36 -0.32 -1.57 117.98 136.04 2tbd s PHE 68 Ca 0.47 1.59 -0.10 0.00 -0.96 0.00 0.00 56.93 57.93 2tbd s PHE 68 Cb -0.03 -3.19 0.09 0.00 -0.34 0.00 0.00 43.02 39.54 2tbd s PHE 68 CO -0.01 -0.25 0.50 -0.59 -1.46 0.00 0.00 175.22 173.41 2tbd s PHE 69 N 1.92 -0.88 0.31 10.12 -0.71 -1.08 -1.02 117.98 126.64 2tbd s PHE 69 Ca 0.49 1.70 -0.04 0.00 -1.04 0.00 0.00 56.93 58.04 2tbd s PHE 69 Cb -0.19 0.43 0.07 0.00 -1.21 0.00 0.00 43.02 42.12 2tbd s PHE 69 CO 0.19 -0.48 0.42 1.28 -1.34 0.00 0.00 175.22 175.29 2tbd n LEU 70 N 4.91 0.00 -3.30 -1.99 4.77 -0.98 -2.28 117.00 118.13 2tbd n LEU 70 Ca -0.15 -0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 55.16 2tbd n LEU 70 Cb 0.52 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 2tbd n LEU 70 CO 0.01 -0.77 -0.02 0.42 -1.33 0.00 0.00 177.39 175.70 2tbd s THR 71 N -1.60 -0.69 0.00 -5.08 -4.23 0.22 -4.15 115.64 100.12 2tbd s THR 71 Ca 0.25 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2tbd s THR 71 Cb -0.01 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.95 2tbd s THR 71 CO 0.17 -0.13 1.42 -0.81 -0.54 0.00 0.00 174.62 174.74 2tbd n PRO 72 N 5.37 0.94 -0.10 3.99 -0.04 -1.26 -3.30 135.00 140.61 2tbd n PRO 72 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2tbd n PRO 72 Cb 0.50 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 1.04 0.00 -1.63 0.54 1.44 -1.26 -5.10 115.22 110.24 2tbd n HIS 73 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2tbd n HIS 73 Cb 0.47 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.60 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 0.00 -3.54 -3.59 -1.40 3.00 -1.21 -5.08 116.66 104.85 2tbd n ARG 74 Ca 0.00 2.60 -0.07 0.00 -0.01 0.00 0.00 57.85 60.37 2tbd n ARG 74 Cb 0.53 -3.06 0.03 0.00 0.00 0.00 0.00 32.46 29.96 2tbd n ARG 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2tbd n HIS 75 N -0.30 -2.10 -4.83 -1.55 8.25 -0.63 -4.98 115.22 109.07 2tbd n HIS 75 Ca 0.00 -1.62 -0.33 0.00 -0.26 0.00 0.00 57.72 55.51 2tbd n HIS 75 Cb 0.00 0.81 -0.13 0.00 1.12 0.00 0.00 29.99 31.79 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 -2.08 2.71 0.64 -0.41 0.52 -1.26 0.65 118.95 119.72 2tbd s ARG 76 Ca 0.16 -0.67 0.21 0.00 -0.52 0.00 0.00 55.73 54.90 2tbd s ARG 76 Cb -0.04 -2.46 0.99 0.00 0.52 0.00 0.00 34.95 33.96 2tbd s ARG 76 CO 0.10 0.55 1.53 0.28 0.02 0.00 0.00 175.30 177.78 2tbd h VAL 77 N 4.53 0.08 -0.05 3.52 2.07 -1.86 0.58 116.25 125.12 2tbd h VAL 77 Ca -0.43 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2tbd h VAL 77 Cb 1.17 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2tbd h VAL 77 CO 0.52 0.00 -0.06 -1.28 0.02 0.00 0.00 177.57 176.76 2tbd h SER 78 N 0.00 0.14 0.44 0.57 0.87 -1.79 0.18 113.55 113.96 2tbd h SER 78 Ca 0.14 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 2tbd h SER 78 Cb 1.61 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 2tbd h SER 78 CO -0.00 0.63 -0.21 0.00 -0.53 0.00 0.00 176.83 176.71 2tbd h ALA 79 N 0.52 -0.88 -1.02 6.23 0.00 -0.17 -2.35 119.26 121.58 2tbd h ALA 79 Ca 0.01 -0.13 0.27 0.00 0.00 0.00 0.00 54.91 55.06 2tbd h ALA 79 Cb 0.59 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 2tbd h ALA 79 CO 0.02 -0.84 0.61 0.82 0.00 0.00 0.00 179.25 179.86 2tbd h ILE 80 N -0.76 0.48 -0.46 0.00 1.08 -1.51 0.49 117.51 116.82 2tbd h ILE 80 Ca -0.06 -0.17 0.08 0.00 -0.39 0.00 0.00 64.86 64.33 2tbd h ILE 80 Cb 0.45 -0.05 -0.07 0.00 -3.07 0.00 0.00 36.82 34.08 2tbd h ILE 80 CO 0.10 0.09 0.04 -1.13 -0.69 0.00 0.00 178.15 176.56 2tbd h ASN 81 N 0.49 -0.11 -0.67 1.72 -0.00 -0.78 -0.29 115.58 115.94 2tbd h ASN 81 Ca 0.66 0.10 0.11 0.00 -0.00 0.00 0.00 56.30 57.17 2tbd h ASN 81 Cb 1.40 0.16 -0.08 0.00 -0.00 0.00 0.00 38.32 39.79 2tbd h ASN 81 CO -0.47 -0.02 0.25 0.78 -0.00 0.00 0.00 177.43 177.97 2tbd h ASN 82 N 0.16 0.24 0.04 1.15 2.35 0.52 0.47 115.58 120.51 2tbd h ASN 82 Ca 0.23 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2tbd h ASN 82 Cb 0.33 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2tbd h ASN 82 CO -0.35 0.12 -0.11 0.22 -1.65 0.00 0.00 177.43 175.66 2tbd h TYR 83 N 0.42 -0.33 0.00 1.19 5.03 -0.83 0.12 116.97 122.57 2tbd h TYR 83 Ca 0.35 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.67 2tbd h TYR 83 Cb 0.48 0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.89 2tbd h TYR 83 CO -0.17 -0.13 0.00 0.00 -1.32 0.00 0.00 178.16 176.53 2tbd n ALA 84 N -2.52 1.22 -0.00 1.82 0.00 -1.00 -2.23 120.51 117.79 2tbd n ALA 84 Ca -0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 2tbd n ALA 84 Cb 0.09 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 2tbd n ALA 84 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2tbd h GLN 85 N 0.00 0.28 -0.28 0.00 1.08 0.25 -2.98 115.11 113.46 2tbd h GLN 85 Ca 0.00 -0.34 0.08 0.00 -1.45 0.00 0.00 58.65 56.94 2tbd h GLN 85 Cb 0.07 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2tbd h GLN 85 CO 0.00 1.07 0.47 -0.22 -0.95 0.00 0.00 178.83 179.20 2tbd h LYS 86 N -0.36 0.00 -2.43 1.46 3.64 -0.81 -1.34 116.57 116.73 2tbd h LYS 86 Ca -0.07 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.61 2tbd h LYS 86 Cb 1.27 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.74 2tbd h LYS 86 CO 0.10 0.00 0.11 1.28 -2.27 0.00 0.00 179.45 178.67 2tbd n LEU 87 N -3.33 5.39 0.00 5.20 4.32 -1.12 -4.62 117.00 122.84 2tbd n LEU 87 Ca 0.04 -5.42 0.00 0.00 -0.02 0.00 0.00 56.01 50.61 2tbd n LEU 87 Cb 0.60 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 2tbd n LEU 87 CO 0.21 2.01 -0.34 0.00 -1.22 0.00 0.00 177.39 178.05 2tbd n THR 89 N -1.88 0.00 -1.59 0.00 5.66 -1.26 -4.34 114.28 110.87 2tbd n THR 89 Ca 0.00 0.48 -0.60 0.00 -3.05 0.00 0.00 64.05 60.88 2tbd n THR 89 Cb 0.34 -1.06 -0.08 0.00 -1.55 0.00 0.00 70.33 67.98 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 0.00 1.13 -1.41 1.09 -1.74 -1.26 -4.39 117.46 110.87 2tbd n PHE 90 Ca 0.00 0.99 0.17 0.00 -0.56 0.00 0.00 57.45 58.04 2tbd n PHE 90 Cb 0.00 -2.18 -0.09 0.00 1.52 0.00 0.00 39.48 38.73 2tbd n PHE 90 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2tbd n SER 91 N 2.51 -7.63 -4.48 5.98 7.64 -1.26 -4.86 113.62 111.52 2tbd n SER 91 Ca 0.23 1.32 -0.29 0.00 1.01 0.00 0.00 58.87 61.13 2tbd n SER 91 Cb 0.07 -4.80 0.15 0.00 -1.01 0.00 0.00 64.21 58.62 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 -4.18 2.08 -0.02 1.43 -0.12 -1.26 -4.81 117.98 111.10 2tbd s PHE 92 Ca 0.00 0.60 -0.08 0.00 -0.05 0.00 0.00 56.93 57.41 2tbd s PHE 92 Cb 0.00 -3.67 0.01 0.00 -0.63 0.00 0.00 43.02 38.73 2tbd s PHE 92 CO 0.00 -2.49 0.17 -1.17 -0.05 0.00 0.00 175.22 171.68 2tbd s LEU 93 N -5.98 1.42 -0.38 -1.99 0.20 -1.26 -4.08 118.68 106.61 2tbd s LEU 93 Ca 0.68 0.01 0.11 0.00 0.69 0.00 0.00 54.13 55.62 2tbd s LEU 93 Cb -0.10 0.70 0.35 0.00 -0.43 0.00 0.00 46.19 46.72 2tbd s LEU 93 CO 0.52 -0.27 0.83 -0.38 -0.29 0.00 0.00 176.35 176.76 2tbd n ILE 94 N 1.95 -0.04 -2.74 6.68 5.41 0.12 -4.97 119.36 125.77 2tbd n ILE 94 Ca -0.19 -3.84 -0.42 0.00 1.00 0.00 0.00 62.75 59.29 2tbd n ILE 94 Cb 0.57 0.16 -0.03 0.00 -0.71 0.00 0.00 39.64 39.63 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 5.78 0.25 -3.05 0.00 3.00 -1.05 -4.87 118.16 118.23 2tbd n LYS 96 Ca 0.09 -1.66 -0.17 0.00 -0.00 0.00 0.00 58.31 56.56 2tbd n LYS 96 Cb 0.47 1.42 0.01 0.00 0.00 0.00 0.00 35.03 36.93 2tbd n LYS 96 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2tbd s GLY 97 N -2.19 1.96 -0.04 3.14 0.00 -1.26 -1.34 107.32 107.58 2tbd s GLY 97 Ca 0.19 -1.70 0.05 0.00 0.00 0.00 0.00 44.72 43.26 2tbd s GLY 97 CO 0.14 -1.51 -0.18 0.14 0.00 0.00 0.00 173.10 171.69 2tbd s VAL 98 N -2.37 1.47 -0.65 1.40 1.01 -0.92 -3.64 120.40 116.71 2tbd s VAL 98 Ca 0.55 -0.76 0.22 0.00 0.00 0.00 0.00 61.98 61.99 2tbd s VAL 98 Cb -0.09 -1.25 -0.19 0.00 0.00 0.00 0.00 36.38 34.85 2tbd s VAL 98 CO 0.33 0.42 0.91 -3.20 0.00 0.00 0.00 175.10 173.56 2tbd n ASN 99 N 2.97 0.62 -3.26 3.32 4.05 -1.25 -4.64 115.26 117.07 2tbd n ASN 99 Ca -0.17 -0.43 -0.24 0.00 0.45 0.00 0.00 54.58 54.19 2tbd n ASN 99 Cb 0.53 1.05 -0.08 0.00 1.23 0.00 0.00 39.78 42.51 2tbd n ASN 99 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2tbd n LYS 100 N -1.84 0.39 0.00 1.20 4.76 -1.26 -5.03 118.16 116.37 2tbd n LYS 100 Ca 0.02 -3.06 0.00 0.00 -2.87 0.00 0.00 58.31 52.40 2tbd n LYS 100 Cb 0.42 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 2tbd n LYS 100 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2tbd n GLU 101 N 2.36 0.00 -0.04 1.97 0.28 -1.26 -1.45 120.64 122.51 2tbd n GLU 101 Ca 0.26 0.13 0.02 0.00 -0.16 0.00 0.00 57.16 57.40 2tbd n GLU 101 Cb 0.51 -0.67 0.03 0.00 1.43 0.00 0.00 31.44 32.74 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2tbd n TYR 102 N -0.30 0.07 0.07 -1.84 9.36 -1.26 0.04 117.16 123.30 2tbd n TYR 102 Ca 0.00 0.13 -0.03 0.00 3.32 0.00 0.00 57.90 61.32 2tbd n TYR 102 Cb 0.00 -0.58 -0.01 0.00 -0.63 0.00 0.00 39.34 38.12 2tbd n TYR 102 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2tbd h LEU 103 N 0.00 -0.16 -0.98 2.98 -0.00 -1.76 -1.62 115.31 113.77 2tbd h LEU 103 Ca 0.06 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 58.08 2tbd h LEU 103 Cb 0.13 0.04 -0.15 0.00 -0.00 0.00 0.00 40.66 40.69 2tbd h LEU 103 CO -0.10 -0.08 -0.44 0.80 -0.00 0.00 0.00 178.44 178.63 2tbd n MET 104 N -2.75 -0.29 -0.24 1.13 1.56 0.11 0.82 117.12 117.46 2tbd n MET 104 Ca -0.02 1.50 -0.00 0.00 -0.27 0.00 0.00 57.70 58.90 2tbd n MET 104 Cb 0.08 -2.22 0.11 0.00 2.15 0.00 0.00 33.22 33.34 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 0.69 0.32 1.12 5.03 -1.50 0.17 116.97 122.80 2tbd h TYR 105 Ca 0.29 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.61 2tbd h TYR 105 Cb 0.53 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 2tbd h TYR 105 CO -0.90 0.31 -0.33 1.03 -1.32 0.00 0.00 178.16 176.94 2tbd h SER 106 N 0.68 -0.91 0.02 -2.11 0.87 0.14 0.64 113.55 112.89 2tbd h SER 106 Ca 0.32 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2tbd h SER 106 Cb 0.24 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2tbd h SER 106 CO -0.21 -0.43 0.00 0.00 -0.53 0.00 0.00 176.83 175.66 2tbd h ALA 107 N -1.20 1.00 0.01 6.23 0.00 -1.00 -0.08 119.26 124.21 2tbd h ALA 107 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2tbd h ALA 107 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2tbd h ALA 107 CO -0.04 0.00 -0.98 -0.07 0.00 0.00 0.00 179.25 178.16 2tbd h LEU 108 N 0.00 0.03 0.05 0.00 3.38 0.14 -3.26 115.31 115.65 2tbd h LEU 108 Ca 0.00 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 2tbd h LEU 108 Cb 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2tbd h LEU 108 CO 0.00 0.99 -1.10 0.71 0.09 0.00 0.00 178.44 179.13 2tbd h THR 109 N 0.01 1.63 -3.54 0.22 1.35 0.97 -3.31 112.91 110.24 2tbd h THR 109 Ca -0.02 -3.28 -0.52 0.00 -0.55 0.00 0.00 66.41 62.04 2tbd h THR 109 Cb 1.72 2.88 -0.03 0.00 -1.73 0.00 0.00 68.15 70.99 2tbd h THR 109 CO 0.13 0.94 -0.01 0.00 -0.25 0.00 0.00 175.52 176.33 2tbd s ARG 110 N -2.69 3.94 0.89 4.72 1.70 -1.01 -4.51 118.95 121.99 2tbd s ARG 110 Ca -0.01 0.50 -0.14 0.00 -0.47 0.00 0.00 55.73 55.61 2tbd s ARG 110 Cb 0.09 -2.63 -0.00 0.00 -0.57 0.00 0.00 34.95 31.84 2tbd s ARG 110 CO 0.84 0.29 0.33 -0.40 -1.08 0.00 0.00 175.30 175.29 2tbd n ASP 111 N -0.01 -2.19 -0.02 -2.89 5.68 -1.26 -1.49 116.55 114.37 2tbd n ASP 111 Ca 0.00 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 2tbd n ASP 111 Cb 0.52 -1.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.34 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2tbd n PRO 112 N -1.05 0.94 -3.29 0.11 -0.04 -1.26 -4.99 135.00 125.43 2tbd n PRO 112 Ca 0.07 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.09 2tbd n PRO 112 Cb 0.53 -1.02 -0.08 0.00 -0.04 0.00 0.00 33.50 32.89 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 -1.95 3.15 0.79 0.54 0.08 -0.55 -4.52 117.98 115.51 2tbd s PHE 113 Ca 0.00 -0.60 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 2tbd s PHE 113 Cb 0.00 -3.19 0.15 0.00 -0.57 0.00 0.00 43.02 39.41 2tbd s PHE 113 CO 0.00 -0.84 1.08 0.45 -0.10 0.00 0.00 175.22 175.81 2tbd s SER 114 N 2.34 4.00 0.10 1.36 0.15 -0.73 -3.23 113.70 117.69 2tbd s SER 114 Ca 0.11 -0.23 0.07 0.00 0.70 0.00 0.00 55.95 56.60 2tbd s SER 114 Cb -0.20 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 2tbd s SER 114 CO 0.11 -2.11 -0.10 -0.69 1.20 0.00 0.00 173.24 171.64 2tbd s VAL 115 N -3.34 3.34 0.04 4.45 1.01 -1.26 -1.93 120.40 122.70 2tbd s VAL 115 Ca 0.69 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2tbd s VAL 115 Cb -0.05 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2tbd s VAL 115 CO 0.47 0.11 0.00 -0.38 0.00 0.00 0.00 175.10 175.30 2tbd n ILE 116 N 0.71 0.32 -4.29 2.22 5.41 -0.33 -4.85 119.36 118.54 2tbd n ILE 116 Ca -0.14 0.11 -0.17 0.00 1.00 0.00 0.00 62.75 63.55 2tbd n ILE 116 Cb 0.52 -1.06 -0.09 0.00 -0.71 0.00 0.00 39.64 38.30 2tbd n ILE 116 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2tbd s GLU 117 N -1.29 1.49 0.00 0.38 2.56 -1.03 -4.97 118.70 115.85 2tbd s GLU 117 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 54.97 53.13 2tbd s GLU 117 Cb 0.00 0.02 0.00 0.00 2.00 0.00 0.00 34.13 36.15 2tbd s GLU 117 CO 0.00 -0.44 0.00 -0.85 -0.56 0.00 0.00 175.26 173.41 2tbd n GLU 118 N -0.50 0.00 0.19 4.30 0.28 -1.26 -1.45 120.64 122.20 2tbd n GLU 118 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.10 2tbd n GLU 118 Cb 0.65 0.00 0.23 0.00 1.43 0.00 0.00 31.44 33.75 2tbd n GLU 118 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2tbd h SER 119 N 0.00 0.00 -3.49 -1.84 4.64 -1.96 -3.44 113.55 107.46 2tbd h SER 119 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2tbd h SER 119 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2tbd h SER 119 CO 0.00 0.26 0.01 -0.76 -0.87 0.00 0.00 176.83 175.47 2tbd s LEU 120 N -6.47 4.26 -1.54 5.97 1.43 -1.26 -4.96 118.68 116.11 2tbd s LEU 120 Ca 0.04 1.20 -0.09 0.00 -1.03 0.00 0.00 54.13 54.24 2tbd s LEU 120 Cb 0.08 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 2tbd s LEU 120 CO 0.68 -0.00 2.93 -0.81 0.23 0.00 0.00 176.35 179.38 2tbd n PRO 121 N 0.43 3.74 0.00 1.29 -0.04 -1.26 -4.09 135.00 135.07 2tbd n PRO 121 Ca -0.02 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 2tbd n PRO 121 Cb 0.52 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.34 0.56 7.00 0.55 0.00 -1.26 -4.98 105.19 110.40 2tbd n GLY 122 Ca 0.76 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.25 0.00 -0.02 0.00 -1.26 -4.76 105.19 102.40 2tbd n GLY 123 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.71 117.00 116.34 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 1.17 -1.22 0.00 0.00 177.39 177.34 2tbd n LYS 125 N 0.00 0.00 -0.00 3.23 3.00 -1.26 -4.98 118.16 118.15 2tbd n LYS 125 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 2tbd n LYS 125 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 2tbd n LYS 125 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2tbd n GLU 126 N 0.00 0.74 0.00 1.64 2.13 -1.26 -1.67 120.64 122.22 2tbd n GLU 126 Ca 0.00 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2tbd n GLU 126 Cb 0.00 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.00 2tbd n GLU 126 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2tbd n HIS 127 N -3.43 0.00 0.03 4.31 1.44 -1.26 -4.01 115.22 112.30 2tbd n HIS 127 Ca -0.30 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.38 2tbd n HIS 127 Cb 1.05 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 31.07 2tbd n HIS 127 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 2tbd h ASP 128 N 0.00 0.00 -1.27 4.39 3.58 -1.97 -3.47 116.42 117.69 2tbd h ASP 128 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2tbd h ASP 128 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2tbd h ASP 128 CO 0.00 0.70 0.00 0.49 -2.88 0.00 0.00 179.24 177.55 2tbd n PHE 129 N -3.00 -2.54 -4.07 0.28 3.01 -1.23 -4.99 117.46 104.92 2tbd n PHE 129 Ca -0.09 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.23 2tbd n PHE 129 Cb 0.89 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 40.24 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 -1.03 0.81 1.04 4.37 -0.87 -0.67 -4.47 114.94 114.12 2tbd s ASN 130 Ca 0.00 -0.49 -0.17 0.00 -1.57 0.00 0.00 52.86 50.63 2tbd s ASN 130 Cb 0.00 0.02 0.24 0.00 -0.02 0.00 0.00 41.25 41.49 2tbd s ASN 130 CO 0.00 -0.17 1.29 -2.16 -2.57 0.00 0.00 177.10 173.49 2tbd s PRO 131 N -1.39 0.01 0.11 -0.60 0.04 -1.26 -4.83 135.00 127.08 2tbd s PRO 131 Ca -0.09 -0.40 0.02 0.00 0.04 0.00 0.00 61.00 60.57 2tbd s PRO 131 Cb -0.09 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2tbd s PRO 131 CO 0.00 -2.84 0.07 -0.85 0.04 0.00 0.00 177.00 173.43 2tbd n GLU 132 N -4.07 0.34 -1.33 4.56 0.28 -1.26 -5.11 120.64 114.06 2tbd n GLU 132 Ca 0.16 -1.03 0.17 0.00 -0.16 0.00 0.00 57.16 56.30 2tbd n GLU 132 Cb 0.59 0.75 -0.05 0.00 1.43 0.00 0.00 31.44 34.17 2tbd n GLU 132 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2tbd n SER 133 N -2.38 -7.82 0.00 -1.84 7.64 -1.26 -5.28 113.62 102.68 2tbd n SER 133 Ca 0.01 0.66 0.02 0.00 1.01 0.00 0.00 58.87 60.58 2tbd n SER 133 Cb 0.19 -4.15 0.12 0.00 -1.01 0.00 0.00 64.21 59.35 2tbd n SER 133 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49