#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd n SER 2 N 0.00 0.00 -2.55 1.61 7.64 -1.26 -5.00 113.62 114.06 2tbd n SER 2 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 2tbd n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2tbd n SER 2 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2tbd n LYS 3 N 0.00 2.45 -1.45 1.43 2.85 -1.26 -4.95 118.16 117.23 2tbd n LYS 3 Ca 0.00 -2.57 -0.44 0.00 -1.05 0.00 0.00 58.31 54.25 2tbd n LYS 3 Cb 0.00 -2.15 -0.01 0.00 -0.65 0.00 0.00 35.03 32.22 2tbd n LYS 3 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2tbd n VAL 4 N 0.53 1.76 -0.16 0.58 3.14 -1.26 -4.97 118.33 117.95 2tbd n VAL 4 Ca 0.49 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2tbd n VAL 4 Cb 0.49 -0.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2tbd n GLU 5 N 0.81 2.82 -1.34 1.45 -0.58 -1.26 -4.79 120.64 117.75 2tbd n GLU 5 Ca 0.13 0.00 -0.54 0.00 -0.42 0.00 0.00 57.16 56.32 2tbd n GLU 5 Cb 0.34 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.10 2tbd n GLU 5 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2tbd n ASP 6 N 0.00 1.14 -4.67 1.62 -0.08 -1.26 -4.83 116.55 108.47 2tbd n ASP 6 Ca 0.00 0.51 -0.43 0.00 -1.51 0.00 0.00 54.79 53.36 2tbd n ASP 6 Cb 0.00 -1.03 -0.02 0.00 2.34 0.00 0.00 41.12 42.41 2tbd n ASP 6 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2tbd s PRO 7 N 6.47 4.28 0.00 -0.67 0.04 -1.26 -4.91 135.00 138.95 2tbd s PRO 7 Ca 1.18 1.45 0.23 0.00 0.04 0.00 0.00 61.00 63.90 2tbd s PRO 7 Cb -1.25 -3.65 0.54 0.00 0.04 0.00 0.00 34.50 30.18 2tbd s PRO 7 CO 0.58 -0.59 1.47 1.17 0.04 0.00 0.00 177.00 179.67 2tbd n LYS 8 N 6.13 2.63 -3.61 4.56 4.81 -1.26 -4.57 118.16 126.85 2tbd n LYS 8 Ca 0.12 -2.49 -0.09 0.00 -0.87 0.00 0.00 58.31 54.98 2tbd n LYS 8 Cb 0.46 -1.54 -0.06 0.00 0.02 0.00 0.00 35.03 33.91 2tbd n LYS 8 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2tbd s ASP 9 N -1.22 -0.33 1.00 3.14 1.47 -1.26 -4.84 116.67 114.64 2tbd s ASP 9 Ca 0.44 0.46 -0.19 0.00 1.18 0.00 0.00 52.55 54.43 2tbd s ASP 9 Cb 0.24 0.40 -0.13 0.00 -0.34 0.00 0.00 42.92 43.10 2tbd s ASP 9 CO 0.32 -0.23 -0.80 0.49 0.68 0.00 0.00 175.17 175.63 2tbd n PHE 10 N 1.15 -3.70 -2.70 2.11 3.01 -1.26 -4.88 117.46 111.18 2tbd n PHE 10 Ca -0.10 0.17 -0.35 0.00 1.01 0.00 0.00 57.45 58.18 2tbd n PHE 10 Cb 0.57 -1.47 -0.06 0.00 -0.01 0.00 0.00 39.48 38.52 2tbd n PHE 10 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2tbd s PRO 11 N -2.26 4.20 0.35 -1.08 0.04 -1.26 -4.78 135.00 130.21 2tbd s PRO 11 Ca 0.42 1.29 0.16 0.00 0.04 0.00 0.00 61.00 62.90 2tbd s PRO 11 Cb -0.11 -2.36 1.09 0.00 0.04 0.00 0.00 34.50 33.16 2tbd s PRO 11 CO 0.76 -0.07 1.68 1.03 0.04 0.00 0.00 177.00 180.45 2tbd h SER 12 N 2.21 0.51 -0.42 6.66 0.87 -1.95 0.44 113.55 121.87 2tbd h SER 12 Ca -0.48 0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.30 2tbd h SER 12 Cb 1.20 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.21 2tbd h SER 12 CO 0.62 -0.07 0.13 -0.08 -0.53 0.00 0.00 176.83 176.89 2tbd h GLU 13 N 0.35 0.28 -0.00 2.24 4.57 -2.02 -0.31 114.58 119.69 2tbd h GLU 13 Ca 0.71 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.88 2tbd h GLU 13 Cb 1.67 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 2tbd h GLU 13 CO -0.53 0.18 -0.14 -0.11 -1.18 0.00 0.00 179.01 177.23 2tbd n LEU 14 N -5.04 0.64 -0.15 1.64 7.94 0.12 -3.48 117.00 118.68 2tbd n LEU 14 Ca 0.03 -0.08 0.06 0.00 -1.11 0.00 0.00 56.01 54.92 2tbd n LEU 14 Cb 0.17 -0.16 0.32 0.00 0.53 0.00 0.00 43.42 44.28 2tbd n LEU 14 CO 0.25 0.12 0.72 0.18 -1.11 0.00 0.00 177.39 177.54 2tbd n LEU 15 N -0.84 0.43 0.15 -1.96 4.77 0.90 -3.50 117.00 116.94 2tbd n LEU 15 Ca 0.14 -0.20 0.13 0.00 -0.03 0.00 0.00 56.01 56.05 2tbd n LEU 15 Cb 0.30 -0.04 0.50 0.00 -2.33 0.00 0.00 43.42 41.84 2tbd n LEU 15 CO 0.24 0.10 0.88 -1.28 -1.33 0.00 0.00 177.39 175.99 2tbd h SER 16 N 0.53 0.00 -1.49 -1.43 0.87 -1.58 -3.36 113.55 107.08 2tbd h SER 16 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2tbd h SER 16 Cb 0.12 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 61.84 2tbd h SER 16 CO 0.00 0.00 -0.66 0.72 -0.53 0.00 0.00 176.83 176.36 2tbd s PHE 17 N -3.32 -0.68 0.00 2.24 -0.12 -1.23 -5.13 117.98 109.74 2tbd s PHE 17 Ca 0.05 -1.11 0.00 0.00 -0.05 0.00 0.00 56.93 55.82 2tbd s PHE 17 Cb 0.10 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.37 2tbd s PHE 17 CO 0.45 -1.11 0.00 1.28 -0.05 0.00 0.00 175.22 175.79 2tbd n LEU 18 N 3.06 0.00 -0.00 -1.99 7.99 -1.26 -4.68 117.00 120.12 2tbd n LEU 18 Ca 0.21 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.20 2tbd n LEU 18 Cb 0.53 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2tbd n LEU 18 CO 0.02 0.00 -0.53 -0.24 -1.51 0.00 0.00 177.39 175.14 2tbd n SER 19 N -0.52 1.75 0.00 -1.43 2.88 -0.68 -4.26 113.62 111.37 2tbd n SER 19 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2tbd n SER 19 Cb 0.00 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2tbd n HIS 20 N -2.81 0.00 -1.52 0.66 8.25 -1.26 -4.78 115.22 113.75 2tbd n HIS 20 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2tbd n HIS 20 Cb 0.51 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.56 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2tbd n ALA 21 N 1.19 0.84 0.07 -1.41 0.00 -1.26 -4.74 120.51 115.19 2tbd n ALA 21 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 53.44 52.82 2tbd n ALA 21 Cb 0.00 -2.86 -0.09 0.00 0.00 0.00 0.00 19.45 16.50 2tbd n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2tbd h VAL 22 N 7.60 1.40 -1.37 0.00 2.07 -1.96 -3.30 116.25 120.69 2tbd h VAL 22 Ca -0.22 -3.03 -0.65 0.00 0.82 0.00 0.00 66.70 63.61 2tbd h VAL 22 Cb 1.29 2.68 -0.25 0.00 -1.52 0.00 0.00 31.29 33.49 2tbd h VAL 22 CO 1.16 0.80 0.82 0.49 0.02 0.00 0.00 177.57 180.86 2tbd n PHE 23 N -3.27 2.67 -2.04 1.57 3.01 -1.26 -2.71 117.46 115.42 2tbd n PHE 23 Ca -0.02 -2.44 -0.29 0.00 1.01 0.00 0.00 57.45 55.71 2tbd n PHE 23 Cb 0.90 -1.28 0.19 0.00 -0.01 0.00 0.00 39.48 39.28 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 -0.93 3.13 0.26 4.37 1.04 -1.24 -5.07 113.70 115.25 2tbd s SER 24 Ca 0.55 0.10 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2tbd s SER 24 Cb 0.43 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2tbd s SER 24 CO -0.22 -2.71 0.00 0.59 0.98 0.00 0.00 173.24 171.88 2tbd n ASN 25 N -3.69 0.00 -0.96 7.02 5.03 -1.26 -4.95 115.26 116.46 2tbd n ASN 25 Ca 0.16 -0.72 0.05 0.00 0.87 0.00 0.00 54.58 54.94 2tbd n ASN 25 Cb 0.59 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.34 2tbd n ASN 25 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2tbd n ARG 26 N -0.72 -0.68 -3.93 3.52 5.12 -1.26 -4.77 116.66 113.94 2tbd n ARG 26 Ca 0.00 0.45 -0.28 0.00 -1.93 0.00 0.00 57.85 56.09 2tbd n ARG 26 Cb 0.00 -0.83 -0.17 0.00 -1.16 0.00 0.00 32.46 30.30 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2tbd s THR 27 N -0.56 1.20 -0.20 0.55 -4.23 -1.26 -4.70 115.64 106.44 2tbd s THR 27 Ca 0.00 -0.49 -0.09 0.00 -1.18 0.00 0.00 61.69 59.93 2tbd s THR 27 Cb 0.00 -1.24 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 2tbd s THR 27 CO 0.00 0.32 0.11 -0.22 -0.54 0.00 0.00 174.62 174.28 2tbd s LEU 28 N 1.62 3.98 0.00 4.79 2.96 -1.20 -4.78 118.68 126.05 2tbd s LEU 28 Ca 0.04 0.12 0.18 0.00 -0.22 0.00 0.00 54.13 54.24 2tbd s LEU 28 Cb -0.13 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2tbd s LEU 28 CO -0.09 0.14 0.89 0.00 -1.32 0.00 0.00 176.35 175.97 2tbd n ALA 29 N 3.78 3.57 -2.66 5.97 0.00 -1.26 -3.63 120.51 126.27 2tbd n ALA 29 Ca -0.16 -0.56 -0.37 0.00 0.00 0.00 0.00 53.44 52.35 2tbd n ALA 29 Cb 0.52 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.24 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 1.17 1.84 -0.27 0.00 0.40 -1.03 -2.47 117.98 117.63 2tbd s PHE 31 Ca 0.10 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2tbd s PHE 31 Cb -0.14 -0.98 0.08 0.00 0.51 0.00 0.00 43.02 42.48 2tbd s PHE 31 CO 0.06 0.25 0.03 0.00 0.70 0.00 0.00 175.22 176.25 2tbd s ALA 32 N -1.37 1.78 -0.53 5.36 0.00 -0.74 -2.19 121.76 124.06 2tbd s ALA 32 Ca 0.09 -1.51 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 2tbd s ALA 32 Cb -0.09 -1.52 0.08 0.00 0.00 0.00 0.00 23.12 21.59 2tbd s ALA 32 CO 0.05 -1.41 0.61 0.42 0.00 0.00 0.00 175.76 175.43 2tbd s ILE 33 N 1.48 4.93 -0.52 0.00 1.01 -0.75 -1.85 121.20 125.51 2tbd s ILE 33 Ca 0.02 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 2tbd s ILE 33 Cb -0.18 -4.34 0.08 0.00 0.01 0.00 0.00 42.46 38.03 2tbd s ILE 33 CO -0.13 -0.89 0.54 -0.47 0.00 0.00 0.00 174.94 173.99 2tbd s TYR 34 N 2.44 3.14 0.30 3.97 5.04 -0.70 -0.47 117.35 131.08 2tbd s TYR 34 Ca 0.12 -0.89 -0.08 0.00 -2.44 0.00 0.00 57.07 53.77 2tbd s TYR 34 Cb -0.22 -3.55 0.00 0.00 0.35 0.00 0.00 41.96 38.54 2tbd s TYR 34 CO 0.09 -1.00 0.50 0.95 -1.34 0.00 0.00 175.55 174.75 2tbd s THR 35 N 2.12 0.00 0.52 4.34 -4.23 -0.94 -0.18 115.64 117.28 2tbd s THR 35 Ca 0.08 -1.46 -0.20 0.00 -1.18 0.00 0.00 61.69 58.94 2tbd s THR 35 Cb -0.24 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.02 2tbd s THR 35 CO 0.07 0.00 0.59 0.35 -0.54 0.00 0.00 174.62 175.09 2tbd n THR 36 N -0.48 2.22 -0.19 3.99 -2.24 -1.26 -2.37 114.28 113.95 2tbd n THR 36 Ca -0.01 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.24 2tbd n THR 36 Cb 0.62 -0.71 0.07 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.49 0.52 -1.24 -0.78 2.10 -1.89 -0.46 116.57 115.31 2tbd h LYS 37 Ca -0.44 -0.03 0.36 0.00 -2.00 0.00 0.00 60.65 58.53 2tbd h LYS 37 Cb 1.39 -0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 32.55 2tbd h LYS 37 CO 0.49 0.34 0.89 1.49 -2.00 0.00 0.00 179.45 180.66 2tbd h GLU 38 N 0.53 0.01 0.00 0.07 4.81 -1.98 -1.46 114.58 116.56 2tbd h GLU 38 Ca 0.25 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2tbd h GLU 38 Cb 0.18 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2tbd h GLU 38 CO -0.18 0.01 -0.11 0.87 -0.73 0.00 0.00 179.01 178.87 2tbd h LYS 39 N 0.01 0.00 -1.64 1.92 6.56 -1.41 -3.30 116.57 118.72 2tbd h LYS 39 Ca 0.59 0.00 0.49 0.00 -1.06 0.00 0.00 60.65 60.67 2tbd h LYS 39 Cb 2.36 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 33.94 2tbd h LYS 39 CO -0.02 0.08 1.16 0.00 -2.06 0.00 0.00 179.45 178.61 2tbd h ALA 40 N -0.93 3.43 0.22 3.86 0.00 -0.99 0.50 119.26 125.35 2tbd h ALA 40 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2tbd h ALA 40 Cb 0.17 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2tbd h ALA 40 CO -0.00 -1.95 -0.23 0.00 0.00 0.00 0.00 179.25 177.06 2tbd h ALA 41 N 1.24 -0.47 -0.40 0.00 0.00 -1.38 -0.01 119.26 118.25 2tbd h ALA 41 Ca 0.82 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.56 2tbd h ALA 41 Cb 3.13 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 21.24 2tbd h ALA 41 CO -0.10 -0.79 -0.20 -0.07 0.00 0.00 0.00 179.25 178.09 2tbd h LEU 42 N -0.49 0.77 -2.31 0.00 3.38 -0.16 -2.30 115.31 114.20 2tbd h LEU 42 Ca -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2tbd h LEU 42 Cb 0.46 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2tbd h LEU 42 CO -0.06 0.96 -0.04 -0.07 0.09 0.00 0.00 178.44 179.32 2tbd h LEU 43 N 0.68 0.00 0.07 1.67 -0.00 -0.82 0.22 115.31 117.14 2tbd h LEU 43 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2tbd h LEU 43 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2tbd h LEU 43 CO 0.05 0.04 -0.04 0.22 -0.00 0.00 0.00 178.44 178.71 2tbd h TYR 44 N 0.00 -0.09 0.00 1.13 5.03 -0.41 0.09 116.97 122.71 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 0.10 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.41 2tbd h TYR 44 CO 0.00 -0.06 0.00 1.63 -1.32 0.00 0.00 178.16 178.41 2tbd n LYS 45 N -2.47 0.07 0.00 1.82 4.76 -1.18 -1.82 118.16 119.33 2tbd n LYS 45 Ca -0.01 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 2tbd n LYS 45 Cb 0.04 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 2tbd n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2tbd n LYS 46 N -1.77 0.00 0.06 1.97 5.02 0.77 -4.13 118.16 120.08 2tbd n LYS 46 Ca 0.02 0.19 0.20 0.00 -2.02 0.00 0.00 58.31 56.71 2tbd n LYS 46 Cb 0.15 -0.66 0.58 0.00 -0.02 0.00 0.00 35.03 35.08 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2tbd h ILE 47 N 0.00 0.15 0.00 -0.18 1.08 -1.05 -2.46 117.51 115.05 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 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 2tbd h ILE 47 CO 0.00 0.00 0.00 0.80 -0.69 0.00 0.00 178.15 178.26 2tbd n MET 48 N -3.31 0.00 0.18 2.37 1.56 -0.76 -1.38 117.12 115.78 2tbd n MET 48 Ca 0.10 0.17 0.02 0.00 -0.27 0.00 0.00 57.70 57.72 2tbd n MET 48 Cb 0.91 -0.69 0.32 0.00 2.15 0.00 0.00 33.22 35.92 2tbd n MET 48 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 2tbd h GLU 49 N 0.00 0.00 -1.05 2.12 4.57 -1.76 0.87 114.58 119.33 2tbd h GLU 49 Ca 0.00 0.00 0.29 0.00 -1.18 0.00 0.00 59.36 58.47 2tbd h GLU 49 Cb 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.47 2tbd h GLU 49 CO 0.00 0.43 0.63 -0.22 -1.18 0.00 0.00 179.01 178.67 2tbd h LYS 50 N 0.00 0.39 0.00 1.92 1.63 -1.21 -2.93 116.57 116.37 2tbd h LYS 50 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2tbd h LYS 50 Cb 0.80 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2tbd h LYS 50 CO 0.06 0.26 -0.35 0.66 -3.45 0.00 0.00 179.45 176.63 2tbd n TYR 51 N -4.85 0.00 -4.19 1.91 4.01 -0.48 -4.99 117.16 108.56 2tbd n TYR 51 Ca 0.29 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.70 2tbd n TYR 51 Cb 0.93 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.88 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 0.00 -1.47 -4.03 7.72 7.64 0.30 -3.90 113.62 119.89 2tbd n SER 52 Ca 0.00 -1.08 -0.49 0.00 1.01 0.00 0.00 58.87 58.31 2tbd n SER 52 Cb 0.64 -2.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.26 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 -4.39 0.79 0.14 0.44 0.24 -1.01 -4.52 118.33 110.03 2tbd n VAL 53 Ca -0.11 -0.20 0.01 0.00 -2.04 0.00 0.00 64.34 62.00 2tbd n VAL 53 Cb 0.58 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 33.09 2tbd n VAL 53 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2tbd h THR 54 N 1.92 1.16 -2.74 3.34 2.02 -1.84 -3.43 112.91 113.34 2tbd h THR 54 Ca -0.37 -2.20 -0.16 0.00 0.77 0.00 0.00 66.41 64.45 2tbd h THR 54 Cb 1.30 2.28 -0.30 0.00 -1.74 0.00 0.00 68.15 69.69 2tbd h THR 54 CO 0.56 0.57 -0.45 0.12 0.37 0.00 0.00 175.52 176.69 2tbd s PHE 55 N -3.27 -0.55 -0.25 3.16 5.36 -1.26 -4.93 117.98 116.23 2tbd s PHE 55 Ca 0.01 1.17 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 2tbd s PHE 55 Cb 0.10 0.12 0.07 0.00 -0.34 0.00 0.00 43.02 42.97 2tbd s PHE 55 CO 0.74 -0.38 0.01 -1.50 -1.46 0.00 0.00 175.22 172.63 2tbd s ILE 56 N 2.22 1.26 0.26 3.12 1.10 -1.24 -2.59 121.20 125.33 2tbd s ILE 56 Ca -0.02 -1.23 0.02 0.00 -0.51 0.00 0.00 60.65 58.91 2tbd s ILE 56 Cb -0.11 -1.70 -0.05 0.00 0.15 0.00 0.00 42.46 40.74 2tbd s ILE 56 CO -0.10 -0.29 0.06 -0.94 -2.11 0.00 0.00 174.94 171.55 2tbd s SER 57 N 1.49 1.53 -0.02 4.50 1.04 -0.72 -2.85 113.70 118.67 2tbd s SER 57 Ca -0.00 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2tbd s SER 57 Cb -0.18 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2tbd s SER 57 CO -0.11 -0.65 -0.00 -0.13 0.98 0.00 0.00 173.24 173.33 2tbd s ARG 58 N -3.96 0.22 0.17 4.02 0.52 -0.61 -1.71 118.95 117.61 2tbd s ARG 58 Ca 0.34 0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.60 2tbd s ARG 58 Cb 0.07 -0.36 -0.05 0.00 0.52 0.00 0.00 34.95 35.14 2tbd s ARG 58 CO 0.12 -0.08 0.01 -1.01 0.02 0.00 0.00 175.30 174.36 2tbd s HIS 59 N 0.67 1.21 -0.32 -0.53 3.76 -0.98 -1.62 115.29 117.47 2tbd s HIS 59 Ca -0.06 -1.03 -0.16 0.00 -0.15 0.00 0.00 55.06 53.65 2tbd s HIS 59 Cb -0.09 -0.69 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 2tbd s HIS 59 CO -0.01 -0.23 0.41 -0.80 -0.85 0.00 0.00 174.74 173.25 2tbd s ASN 60 N -3.17 6.24 0.00 1.40 -0.87 -0.59 -1.71 114.94 116.25 2tbd s ASN 60 Ca 0.24 -0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.53 2tbd s ASN 60 Cb 0.06 -2.22 0.00 0.00 -0.02 0.00 0.00 41.25 39.07 2tbd s ASN 60 CO 0.04 -0.32 0.00 -1.54 -2.57 0.00 0.00 177.10 172.71 2tbd n SER 61 N 5.46 0.00 0.00 -1.22 3.41 -1.02 -1.94 113.62 118.31 2tbd n SER 61 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2tbd n SER 61 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2tbd n TYR 62 N -0.33 0.00 0.34 7.33 4.02 -1.26 -4.72 117.16 122.54 2tbd n TYR 62 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 2tbd n TYR 62 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 39.56 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 3.32 -0.05 7.72 4.13 -1.26 -4.98 115.26 124.14 2tbd n ASN 63 Ca 0.00 -1.97 0.00 0.00 1.68 0.00 0.00 54.58 54.29 2tbd n ASN 63 Cb 0.00 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 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 1.39 -0.02 -4.23 3.10 8.25 -1.26 -4.92 115.22 117.53 2tbd n HIS 64 Ca 0.20 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.46 2tbd n HIS 64 Cb 0.58 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.57 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 1.37 1.85 0.27 0.41 -0.87 -1.00 -2.45 114.94 114.52 2tbd s ASN 65 Ca 0.00 -0.61 0.06 0.00 -1.57 0.00 0.00 52.86 50.75 2tbd s ASN 65 Cb 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.25 41.12 2tbd s ASN 65 CO 0.00 -0.03 0.31 -0.63 -2.57 0.00 0.00 177.10 174.18 2tbd s ILE 66 N -1.18 4.65 -0.24 0.60 1.09 -0.69 -2.21 121.20 123.22 2tbd s ILE 66 Ca 0.00 -1.17 -0.03 0.00 -1.10 0.00 0.00 60.65 58.35 2tbd s ILE 66 Cb -0.10 -3.58 0.08 0.00 -1.06 0.00 0.00 42.46 37.80 2tbd s ILE 66 CO 0.02 -0.30 0.08 -0.22 -0.10 0.00 0.00 174.94 174.43 2tbd s LEU 67 N -3.96 1.16 -0.09 2.97 0.20 0.38 -2.33 118.68 117.01 2tbd s LEU 67 Ca 0.36 -1.09 -0.30 0.00 0.69 0.00 0.00 54.13 53.79 2tbd s LEU 67 Cb -0.08 -0.55 -0.02 0.00 -0.43 0.00 0.00 46.19 45.11 2tbd s LEU 67 CO 0.28 -0.37 1.02 -0.36 -0.29 0.00 0.00 176.35 176.63 2tbd s PHE 68 N 1.90 3.50 -0.24 5.38 0.08 -0.69 -1.81 117.98 126.09 2tbd s PHE 68 Ca 0.04 1.57 -0.03 0.00 0.12 0.00 0.00 56.93 58.64 2tbd s PHE 68 Cb -0.17 -3.20 0.11 0.00 -0.57 0.00 0.00 43.02 39.19 2tbd s PHE 68 CO -0.19 -0.30 0.22 -0.59 -0.10 0.00 0.00 175.22 174.27 2tbd s PHE 69 N 1.90 -0.22 0.87 0.36 -0.12 -0.93 -1.75 117.98 118.09 2tbd s PHE 69 Ca 0.49 -0.11 -0.11 0.00 -0.05 0.00 0.00 56.93 57.16 2tbd s PHE 69 Cb -0.19 -0.50 0.19 0.00 -0.63 0.00 0.00 43.02 41.89 2tbd s PHE 69 CO 0.20 -0.74 1.18 1.28 -0.05 0.00 0.00 175.22 177.09 2tbd n LEU 70 N 5.30 0.00 -3.78 -1.99 4.77 -1.07 -2.45 117.00 117.78 2tbd n LEU 70 Ca -0.05 -1.62 -0.12 0.00 -0.03 0.00 0.00 56.01 54.20 2tbd n LEU 70 Cb 0.47 -0.87 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 2tbd n LEU 70 CO 0.05 -1.27 -0.01 0.42 -1.33 0.00 0.00 177.39 175.25 2tbd s THR 71 N -3.54 0.08 0.00 -5.08 -4.23 0.47 -3.54 115.64 99.79 2tbd s THR 71 Ca 0.70 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2tbd s THR 71 Cb -0.02 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 73.04 2tbd s THR 71 CO 0.48 -0.35 0.00 -0.81 -0.54 0.00 0.00 174.62 173.40 2tbd n PRO 72 N 0.93 0.00 -1.78 3.99 -0.04 -1.25 -4.53 135.00 132.32 2tbd n PRO 72 Ca -0.20 0.04 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 2tbd n PRO 72 Cb 0.58 -0.54 -0.07 0.00 -0.04 0.00 0.00 33.50 33.43 2tbd n PRO 72 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2tbd s HIS 73 N -0.09 1.44 0.24 0.54 -3.43 -1.26 -4.88 115.29 107.86 2tbd s HIS 73 Ca 0.00 1.44 -0.16 0.00 -0.80 0.00 0.00 55.06 55.54 2tbd s HIS 73 Cb 0.00 -3.68 -0.11 0.00 -1.43 0.00 0.00 32.58 27.36 2tbd s HIS 73 CO 0.00 -1.50 0.13 0.54 -2.00 0.00 0.00 174.74 171.91 2tbd n ARG 74 N 8.72 0.00 -3.82 -0.38 1.74 -1.26 -4.99 116.66 116.67 2tbd n ARG 74 Ca 0.44 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.40 2tbd n ARG 74 Cb 0.45 -0.68 -0.12 0.00 -1.02 0.00 0.00 32.46 31.09 2tbd n ARG 74 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2tbd s HIS 75 N -1.03 -0.14 0.05 -1.55 0.00 -1.24 -4.98 115.29 106.41 2tbd s HIS 75 Ca 0.41 0.34 -0.36 0.00 -3.00 0.00 0.00 55.06 52.45 2tbd s HIS 75 Cb -0.49 0.04 -0.15 0.00 -4.00 0.00 0.00 32.58 27.98 2tbd s HIS 75 CO 0.42 -0.13 1.52 0.54 -1.00 0.00 0.00 174.74 176.08 2tbd n ARG 76 N 2.67 1.59 0.12 -0.38 1.74 -1.26 -3.27 116.66 117.87 2tbd n ARG 76 Ca -0.15 0.57 0.09 0.00 -0.77 0.00 0.00 57.85 57.60 2tbd n ARG 76 Cb 0.58 -2.28 0.47 0.00 -1.02 0.00 0.00 32.46 30.20 2tbd n ARG 76 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2tbd n VAL 77 N 3.31 1.12 0.08 1.55 0.31 -1.25 -0.09 118.33 123.36 2tbd n VAL 77 Ca 0.19 0.55 -0.11 0.00 -0.01 0.00 0.00 64.34 64.96 2tbd n VAL 77 Cb 0.23 -1.51 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 2tbd n VAL 77 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2tbd h SER 78 N 0.00 0.27 0.46 4.52 4.64 -1.80 -1.64 113.55 120.00 2tbd h SER 78 Ca 0.00 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 2tbd h SER 78 Cb 0.11 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2tbd h SER 78 CO 0.00 1.11 -0.22 0.00 -0.87 0.00 0.00 176.83 176.85 2tbd h ALA 79 N 0.86 -0.62 0.00 5.18 0.00 -0.80 -2.46 119.26 121.41 2tbd h ALA 79 Ca -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2tbd h ALA 79 Cb 1.69 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2tbd h ALA 79 CO 0.15 -0.79 -0.19 0.82 0.00 0.00 0.00 179.25 179.24 2tbd h ILE 80 N -0.74 0.69 -0.67 0.00 2.04 -1.58 -1.34 117.51 115.93 2tbd h ILE 80 Ca -0.06 -0.82 0.19 0.00 1.00 0.00 0.00 64.86 65.17 2tbd h ILE 80 Cb 0.53 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2tbd h ILE 80 CO 0.10 0.19 0.66 -1.13 0.00 0.00 0.00 178.15 177.98 2tbd h ASN 81 N 0.00 0.00 -0.11 1.72 -1.24 -0.80 0.93 115.58 116.08 2tbd h ASN 81 Ca -0.00 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 2tbd h ASN 81 Cb 0.50 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 2tbd h ASN 81 CO 0.03 0.00 -0.16 -1.13 -1.29 0.00 0.00 177.43 174.88 2tbd h ASN 82 N 0.00 0.34 0.55 1.15 -0.73 -1.23 0.10 115.58 115.76 2tbd h ASN 82 Ca 0.32 -0.52 -0.03 0.00 1.87 0.00 0.00 56.30 57.94 2tbd h ASN 82 Cb 1.63 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 40.13 2tbd h ASN 82 CO -0.00 0.79 -0.30 0.22 -0.37 0.00 0.00 177.43 177.77 2tbd h TYR 83 N -0.11 -0.78 -0.99 0.67 3.20 0.73 -1.14 116.97 118.56 2tbd h TYR 83 Ca 0.01 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.15 2tbd h TYR 83 Cb 0.72 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 2tbd h TYR 83 CO 0.10 -0.46 0.70 0.00 -1.64 0.00 0.00 178.16 176.86 2tbd h ALA 84 N -1.55 2.88 -0.29 1.82 0.00 -1.36 0.42 119.26 121.18 2tbd h ALA 84 Ca -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2tbd h ALA 84 Cb 0.61 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2tbd h ALA 84 CO 0.10 -1.17 0.16 1.96 0.00 0.00 0.00 179.25 180.31 2tbd h GLN 85 N 0.03 0.40 0.00 0.00 1.08 0.11 0.15 115.11 116.88 2tbd h GLN 85 Ca 0.47 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 2tbd h GLN 85 Cb 1.84 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.19 2tbd h GLN 85 CO -0.02 0.34 0.00 -0.22 -0.95 0.00 0.00 178.83 177.97 2tbd h LYS 86 N 0.36 0.00 -0.97 1.46 3.64 0.96 -0.86 116.57 121.16 2tbd h LYS 86 Ca 0.10 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.25 2tbd h LYS 86 Cb 0.05 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.73 2tbd h LYS 86 CO -0.02 0.00 0.30 1.28 -2.27 0.00 0.00 179.45 178.74 2tbd n LEU 87 N -2.77 4.78 -0.15 5.20 4.77 0.52 -3.66 117.00 125.68 2tbd n LEU 87 Ca -0.01 -2.50 0.03 0.00 -0.03 0.00 0.00 56.01 53.50 2tbd n LEU 87 Cb 0.15 -0.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.62 2tbd n LEU 87 CO 0.20 0.74 0.41 0.00 -1.33 0.00 0.00 177.39 177.42 2tbd n THR 89 N -0.60 3.78 0.00 0.00 -2.24 -1.24 -3.75 114.28 110.23 2tbd n THR 89 Ca 0.05 -2.79 0.00 0.00 -2.27 0.00 0.00 64.05 59.04 2tbd n THR 89 Cb 0.54 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 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 1.90 0.00 -3.92 4.78 1.16 -1.26 -5.15 117.46 114.97 2tbd n PHE 90 Ca 0.54 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 56.03 2tbd n PHE 90 Cb 0.54 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.37 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 -0.74 -0.13 1.11 5.98 0.15 -1.25 -5.15 113.70 113.68 2tbd s SER 91 Ca 0.00 -0.79 -0.19 0.00 0.70 0.00 0.00 55.95 55.67 2tbd s SER 91 Cb 0.00 0.58 0.09 0.00 -1.71 0.00 0.00 66.02 64.98 2tbd s SER 91 CO 0.00 -1.11 -0.06 2.22 1.20 0.00 0.00 173.24 175.49 2tbd n PHE 92 N -0.36 -1.42 -3.61 3.44 -1.74 -1.26 -4.74 117.46 107.77 2tbd n PHE 92 Ca -0.05 0.16 -0.14 0.00 -0.56 0.00 0.00 57.45 56.86 2tbd n PHE 92 Cb 0.62 -1.56 -0.07 0.00 1.52 0.00 0.00 39.48 39.99 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 -0.85 -0.71 -0.46 5.98 0.20 -1.26 -4.39 118.68 117.18 2tbd s LEU 93 Ca 0.55 1.28 0.09 0.00 0.69 0.00 0.00 54.13 56.73 2tbd s LEU 93 Cb -0.11 2.44 0.32 0.00 -0.43 0.00 0.00 46.19 48.41 2tbd s LEU 93 CO 0.66 -0.31 0.76 -0.38 -0.29 0.00 0.00 176.35 176.79 2tbd n ILE 94 N 2.32 0.98 -2.68 6.68 -0.00 0.75 -4.84 119.36 122.56 2tbd n ILE 94 Ca -0.15 -4.85 -0.42 0.00 -0.00 0.00 0.00 62.75 57.33 2tbd n ILE 94 Cb 0.55 -1.09 -0.03 0.00 -0.00 0.00 0.00 39.64 39.08 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 8.58 3.25 -4.15 0.00 5.02 -0.77 -4.87 118.16 125.22 2tbd n LYS 96 Ca 0.05 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.11 2tbd n LYS 96 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 2tbd n LYS 96 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2tbd s GLY 97 N -0.43 1.89 -0.02 0.72 0.00 -1.26 -1.79 107.32 106.43 2tbd s GLY 97 Ca 0.00 -1.80 0.04 0.00 0.00 0.00 0.00 44.72 42.96 2tbd s GLY 97 CO 0.00 -1.76 -0.12 0.14 0.00 0.00 0.00 173.10 171.36 2tbd s VAL 98 N -2.41 1.01 -1.22 1.40 1.01 -1.03 -1.68 120.40 117.48 2tbd s VAL 98 Ca 0.36 -0.52 0.25 0.00 0.00 0.00 0.00 61.98 62.07 2tbd s VAL 98 Cb -0.03 -0.86 0.07 0.00 0.00 0.00 0.00 36.38 35.56 2tbd s VAL 98 CO 0.22 0.29 1.43 0.59 0.00 0.00 0.00 175.10 177.63 2tbd n ASN 99 N 2.94 0.68 -2.78 3.32 4.13 -1.26 -4.62 115.26 117.66 2tbd n ASN 99 Ca -0.16 -0.47 -0.04 0.00 1.68 0.00 0.00 54.58 55.60 2tbd n ASN 99 Cb 0.55 0.25 0.01 0.00 -1.54 0.00 0.00 39.78 39.05 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2tbd s LYS 100 N -2.86 1.06 0.29 3.52 1.02 -1.26 -5.00 119.74 116.51 2tbd s LYS 100 Ca 0.15 -1.02 0.04 0.00 0.02 0.00 0.00 55.97 55.15 2tbd s LYS 100 Cb 0.18 -0.04 0.72 0.00 -0.52 0.00 0.00 37.83 38.16 2tbd s LYS 100 CO 0.66 -1.32 1.71 1.49 -0.92 0.00 0.00 175.35 176.98 2tbd h GLU 101 N 5.10 0.46 -0.66 1.68 4.57 -1.95 -1.16 114.58 122.62 2tbd h GLU 101 Ca 0.06 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2tbd h GLU 101 Cb 1.11 -0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 29.51 2tbd h GLU 101 CO 0.01 0.31 -0.50 -0.92 -1.18 0.00 0.00 179.01 176.73 2tbd h TYR 102 N 0.48 -1.59 0.50 0.92 5.03 -1.98 -0.86 116.97 119.48 2tbd h TYR 102 Ca 0.55 0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.95 2tbd h TYR 102 Cb 1.01 0.78 -0.02 0.00 1.55 0.00 0.00 36.73 40.05 2tbd h TYR 102 CO -0.11 -0.36 -0.44 1.25 -1.32 0.00 0.00 178.16 177.18 2tbd h LEU 103 N -0.14 -1.17 -0.03 2.82 7.12 -1.64 -0.65 115.31 121.61 2tbd h LEU 103 Ca 0.11 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.21 2tbd h LEU 103 Cb 0.42 0.38 -0.00 0.00 -0.53 0.00 0.00 40.66 40.93 2tbd h LEU 103 CO -0.70 -0.61 -0.02 -0.03 -0.13 0.00 0.00 178.44 176.95 2tbd h MET 104 N -0.93 -0.00 -0.92 1.25 4.05 -1.01 0.61 114.93 117.97 2tbd h MET 104 Ca -0.05 0.00 0.24 0.00 -0.28 0.00 0.00 59.70 59.61 2tbd h MET 104 Cb 0.80 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.55 2tbd h MET 104 CO -0.03 -0.00 0.64 -0.92 0.23 0.00 0.00 176.91 176.83 2tbd h TYR 105 N -0.00 0.24 -0.15 1.39 5.03 -1.17 -0.04 116.97 122.26 2tbd h TYR 105 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2tbd h TYR 105 Cb 0.02 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 2tbd h TYR 105 CO -0.87 0.05 0.09 0.77 -1.32 0.00 0.00 178.16 176.88 2tbd h SER 106 N 0.17 0.15 1.35 -2.11 0.02 0.18 -1.07 113.55 112.24 2tbd h SER 106 Ca 0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2tbd h SER 106 Cb 1.53 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.04 2tbd h SER 106 CO -0.09 0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 2tbd h ALA 107 N 1.06 1.00 0.00 3.77 0.00 0.21 -2.56 119.26 122.74 2tbd h ALA 107 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2tbd h ALA 107 Cb -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2tbd h ALA 107 CO -0.02 0.00 -0.09 -0.07 0.00 0.00 0.00 179.25 179.07 2tbd h LEU 108 N 0.00 0.00 0.02 0.00 3.38 -0.29 -3.25 115.31 115.17 2tbd h LEU 108 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 2tbd h LEU 108 Cb 0.67 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2tbd h LEU 108 CO 0.00 0.09 -1.89 0.35 0.09 0.00 0.00 178.44 177.08 2tbd n THR 109 N -3.13 1.59 -2.76 0.22 -2.24 -0.50 -3.48 114.28 103.98 2tbd n THR 109 Ca 0.03 -0.78 -0.42 0.00 -2.27 0.00 0.00 64.05 60.61 2tbd n THR 109 Cb 0.53 -1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 2tbd n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2tbd s ARG 110 N -2.57 4.42 0.81 -0.78 1.70 -0.99 -4.73 118.95 116.81 2tbd s ARG 110 Ca -0.09 1.28 -0.17 0.00 -0.47 0.00 0.00 55.73 56.28 2tbd s ARG 110 Cb 0.07 -3.53 -0.11 0.00 -0.57 0.00 0.00 34.95 30.82 2tbd s ARG 110 CO 0.81 -0.24 -0.28 -0.40 -1.08 0.00 0.00 175.30 174.11 2tbd n ASP 111 N 4.74 -4.22 -0.12 -2.89 5.75 -1.26 -1.88 116.55 116.68 2tbd n ASP 111 Ca 0.07 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 2tbd n ASP 111 Cb 0.49 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2tbd n PRO 112 N 1.28 0.97 -2.65 0.11 -0.04 -1.26 -5.04 135.00 128.37 2tbd n PRO 112 Ca 0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.07 2tbd n PRO 112 Cb 0.52 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.77 3.24 0.59 0.54 0.40 -0.79 -4.90 117.98 115.29 2tbd s PHE 113 Ca 0.00 1.33 -0.01 0.00 -0.60 0.00 0.00 56.93 57.64 2tbd s PHE 113 Cb 0.00 -3.48 0.04 0.00 0.51 0.00 0.00 43.02 40.09 2tbd s PHE 113 CO 0.00 -0.64 0.85 -1.12 0.70 0.00 0.00 175.22 175.01 2tbd s SER 114 N 1.44 5.18 -0.14 1.36 0.01 -0.82 -3.98 113.70 116.75 2tbd s SER 114 Ca 0.45 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2tbd s SER 114 Cb -0.14 -1.01 -0.01 0.00 0.21 0.00 0.00 66.02 65.08 2tbd s SER 114 CO 0.11 -1.25 -0.15 -0.69 0.41 0.00 0.00 173.24 171.66 2tbd s VAL 115 N -2.91 2.76 0.00 3.43 1.01 -1.26 -1.54 120.40 121.90 2tbd s VAL 115 Ca 0.58 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2tbd s VAL 115 Cb -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2tbd s VAL 115 CO 0.41 0.52 0.00 -0.38 0.00 0.00 0.00 175.10 175.65 2tbd n ILE 116 N 3.79 0.00 -3.51 2.22 5.41 -0.64 -4.88 119.36 121.75 2tbd n ILE 116 Ca -0.19 0.38 -0.17 0.00 1.00 0.00 0.00 62.75 63.77 2tbd n ILE 116 Cb 0.52 -1.23 -0.05 0.00 -0.71 0.00 0.00 39.64 38.17 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 -0.75 1.08 0.24 0.38 2.12 -1.05 -5.02 118.70 115.70 2tbd s GLU 117 Ca 0.00 0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.49 2tbd s GLU 117 Cb 0.00 0.51 -0.05 0.00 0.26 0.00 0.00 34.13 34.85 2tbd s GLU 117 CO 0.00 -0.36 0.05 -1.21 -0.54 0.00 0.00 175.26 173.20 2tbd s GLU 118 N -1.59 1.33 -0.08 4.30 2.02 -1.26 -1.57 118.70 121.85 2tbd s GLU 118 Ca -0.09 -1.70 0.03 0.00 0.02 0.00 0.00 54.97 53.23 2tbd s GLU 118 Cb -0.00 -0.36 -0.25 0.00 0.10 0.00 0.00 34.13 33.62 2tbd s GLU 118 CO 0.06 -0.21 0.50 -1.13 0.02 0.00 0.00 175.26 174.51 2tbd n SER 119 N -0.41 1.50 -4.82 -0.19 3.41 -1.13 -4.89 113.62 107.07 2tbd n SER 119 Ca -0.03 0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 58.56 2tbd n SER 119 Cb 0.65 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2tbd s LEU 120 N -6.56 3.90 0.32 1.04 1.43 -1.26 -4.96 118.68 112.59 2tbd s LEU 120 Ca -0.14 1.66 0.17 0.00 -1.03 0.00 0.00 54.13 54.79 2tbd s LEU 120 Cb 0.07 -4.52 0.25 0.00 0.03 0.00 0.00 46.19 42.02 2tbd s LEU 120 CO 0.80 -0.38 1.53 1.55 0.23 0.00 0.00 176.35 180.07 2tbd h PRO 121 N 1.79 0.00 0.00 1.29 0.13 -2.03 -3.27 132.00 129.91 2tbd h PRO 121 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2tbd h PRO 121 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2tbd h PRO 121 CO 0.61 0.44 -0.17 0.41 -0.23 0.00 0.00 178.00 179.06 2tbd n GLY 122 N 0.98 4.43 7.00 1.56 0.00 -1.26 -5.10 105.19 112.79 2tbd n GLY 122 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2tbd n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tbd n GLY 123 N -1.19 0.37 3.91 -0.02 0.00 -1.24 -4.76 105.19 102.25 2tbd n GLY 123 Ca 0.15 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 2tbd n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tbd s LEU 124 N 0.00 3.64 0.00 0.99 1.43 -1.26 -4.82 118.68 118.67 2tbd s LEU 124 Ca 0.00 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 2tbd s LEU 124 Cb 0.00 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2tbd s LEU 124 CO 0.00 -0.57 0.00 1.17 0.23 0.00 0.00 176.35 177.18 2tbd n LYS 125 N -2.24 0.00 0.03 1.70 3.00 -1.26 -5.01 118.16 114.38 2tbd n LYS 125 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.24 2tbd n LYS 125 Cb 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.45 2tbd n LYS 125 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2tbd h GLU 126 N 0.00 0.00 0.00 1.64 4.39 -1.95 -2.37 114.58 116.29 2tbd h GLU 126 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2tbd h GLU 126 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2tbd h GLU 126 CO 0.00 0.83 0.00 -2.39 -1.16 0.00 0.00 179.01 176.29 2tbd n HIS 127 N -3.25 0.00 -0.02 4.33 1.44 -1.26 -3.36 115.22 113.10 2tbd n HIS 127 Ca -0.06 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.62 2tbd n HIS 127 Cb 0.98 -0.11 -0.02 0.00 0.12 0.00 0.00 29.99 30.96 2tbd n HIS 127 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2tbd n ASP 128 N -1.11 2.95 -2.12 4.39 9.92 -1.20 -5.05 116.55 124.33 2tbd n ASP 128 Ca 0.12 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 2tbd n ASP 128 Cb 0.10 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2tbd n PHE 129 N -2.75 -3.56 -3.23 1.24 3.72 -0.90 -4.99 117.46 107.00 2tbd n PHE 129 Ca -0.08 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.01 2tbd n PHE 129 Cb 0.57 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.06 2tbd n PHE 129 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2tbd s ASN 130 N -1.02 6.67 0.08 4.37 -0.87 -1.26 -4.91 114.94 118.01 2tbd s ASN 130 Ca 0.00 1.10 -0.30 0.00 -1.57 0.00 0.00 52.86 52.09 2tbd s ASN 130 Cb 0.00 -2.30 -0.05 0.00 -0.02 0.00 0.00 41.25 38.88 2tbd s ASN 130 CO 0.00 -0.17 1.02 -2.16 -2.57 0.00 0.00 177.10 173.22 2tbd s PRO 131 N -3.03 4.61 -0.29 -0.60 0.04 -1.26 -4.37 135.00 130.10 2tbd s PRO 131 Ca 0.51 1.52 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 2tbd s PRO 131 Cb -0.11 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 31.07 2tbd s PRO 131 CO 0.21 0.06 0.31 0.39 0.04 0.00 0.00 177.00 178.01 2tbd n GLU 132 N 3.18 -1.94 -1.20 4.56 1.02 -1.26 -4.95 120.64 120.06 2tbd n GLU 132 Ca 0.04 1.72 0.01 0.00 -0.02 0.00 0.00 57.16 58.92 2tbd n GLU 132 Cb 0.49 -3.33 0.00 0.00 -0.02 0.00 0.00 31.44 28.58 2tbd n GLU 132 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2tbd n SER 133 N 0.41 0.45 -0.33 1.62 2.88 -1.26 -5.29 113.62 112.10 2tbd n SER 133 Ca 0.00 -1.95 0.15 0.00 -1.33 0.00 0.00 58.87 55.73 2tbd n SER 133 Cb 0.42 -0.17 0.66 0.00 -0.75 0.00 0.00 64.21 64.38 2tbd n SER 133 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27