#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 -1.68 -4.56 1.61 2.88 -1.26 -4.77 113.62 105.84 2tbd n SER 2 Ca 0.00 1.23 -0.43 0.00 -1.33 0.00 0.00 58.87 58.34 2tbd n SER 2 Cb 0.00 -4.86 -0.00 0.00 -0.75 0.00 0.00 64.21 58.60 2tbd n SER 2 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2tbd s LYS 3 N -0.85 3.97 -0.90 -1.46 -2.85 -1.26 -4.92 119.74 111.47 2tbd s LYS 3 Ca -0.22 -2.00 -0.31 0.00 -1.00 0.00 0.00 55.97 52.44 2tbd s LYS 3 Cb 0.01 -5.46 -0.20 0.00 -2.06 0.00 0.00 37.83 30.13 2tbd s LYS 3 CO 0.72 -2.19 2.62 0.28 0.10 0.00 0.00 175.35 176.89 2tbd n VAL 4 N 6.20 -0.01 -2.15 1.79 0.31 -1.26 -4.81 118.33 118.40 2tbd n VAL 4 Ca 0.46 -0.09 -0.41 0.00 -0.01 0.00 0.00 64.34 64.28 2tbd n VAL 4 Cb 0.46 -0.77 -0.03 0.00 -0.91 0.00 0.00 33.84 32.59 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2tbd s GLU 5 N 8.68 4.34 0.74 5.55 2.56 -1.26 -4.98 118.70 134.34 2tbd s GLU 5 Ca 1.30 2.13 -0.13 0.00 0.00 0.00 0.00 54.97 58.28 2tbd s GLU 5 Cb -1.15 -3.18 0.04 0.00 2.00 0.00 0.00 34.13 31.85 2tbd s GLU 5 CO 0.48 -0.33 1.12 -0.51 -0.56 0.00 0.00 175.26 175.45 2tbd s ASP 6 N 0.47 4.49 -0.08 -1.70 1.11 -1.26 -4.96 116.67 114.73 2tbd s ASP 6 Ca 0.59 1.99 -0.30 0.00 0.18 0.00 0.00 52.55 55.01 2tbd s ASP 6 Cb -0.38 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.04 2tbd s ASP 6 CO 0.38 -2.05 1.06 -2.16 1.18 0.00 0.00 175.17 173.58 2tbd s PRO 7 N -4.46 4.41 0.00 8.23 0.04 -1.26 -4.90 135.00 137.06 2tbd s PRO 7 Ca 0.65 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2tbd s PRO 7 Cb -0.20 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2tbd s PRO 7 CO 0.50 -0.33 0.02 0.36 0.04 0.00 0.00 177.00 177.59 2tbd n LYS 8 N 4.96 5.85 0.00 4.56 2.85 -1.26 -5.06 118.16 130.06 2tbd n LYS 8 Ca 0.09 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 2tbd n LYS 8 Cb 0.48 -0.46 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2tbd n ASP 9 N -0.84 0.00 -4.13 -5.58 5.68 -1.26 -5.14 116.55 105.28 2tbd n ASP 9 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.93 2tbd n ASP 9 Cb 0.00 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 2tbd n ASP 9 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2tbd n PHE 10 N -0.88 -2.37 -2.55 2.11 3.01 -1.26 -4.90 117.46 110.62 2tbd n PHE 10 Ca 0.00 0.30 -0.33 0.00 1.01 0.00 0.00 57.45 58.42 2tbd n PHE 10 Cb 0.00 -1.50 -0.04 0.00 -0.01 0.00 0.00 39.48 37.93 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 -2.59 3.90 0.44 -1.08 0.04 -1.26 -4.93 135.00 129.51 2tbd s PRO 11 Ca 0.45 1.21 0.19 0.00 0.04 0.00 0.00 61.00 62.89 2tbd s PRO 11 Cb -0.07 -2.12 1.02 0.00 0.04 0.00 0.00 34.50 33.37 2tbd s PRO 11 CO 0.71 -0.33 1.93 1.03 0.04 0.00 0.00 177.00 180.38 2tbd h SER 12 N 1.45 0.00 0.25 6.66 0.87 -1.98 -1.42 113.55 119.39 2tbd h SER 12 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2tbd h SER 12 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2tbd h SER 12 CO 0.60 0.25 0.00 1.21 -0.53 0.00 0.00 176.83 178.36 2tbd n GLU 13 N -3.92 0.27 0.00 2.24 2.13 -1.26 -2.37 120.64 117.74 2tbd n GLU 13 Ca -0.02 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2tbd n GLU 13 Cb 0.33 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.54 2tbd n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2tbd n LEU 14 N -1.24 0.76 -0.93 4.31 7.94 -0.59 -4.66 117.00 122.60 2tbd n LEU 14 Ca 0.08 -0.76 0.04 0.00 -1.11 0.00 0.00 56.01 54.26 2tbd n LEU 14 Cb 0.12 0.00 0.17 0.00 0.53 0.00 0.00 43.42 44.23 2tbd n LEU 14 CO 0.12 0.19 0.56 0.18 -1.11 0.00 0.00 177.39 177.33 2tbd n LEU 15 N -0.03 2.60 0.05 -1.96 4.77 -0.88 -3.77 117.00 117.79 2tbd n LEU 15 Ca 0.00 -1.31 0.13 0.00 -0.03 0.00 0.00 56.01 54.79 2tbd n LEU 15 Cb 0.10 -0.45 0.34 0.00 -2.33 0.00 0.00 43.42 41.08 2tbd n LEU 15 CO 0.00 0.42 0.65 -0.24 -1.33 0.00 0.00 177.39 176.89 2tbd n SER 16 N 0.34 0.56 -2.91 -1.43 2.88 -1.26 -4.46 113.62 107.33 2tbd n SER 16 Ca 0.12 0.27 -0.12 0.00 -1.33 0.00 0.00 58.87 57.81 2tbd n SER 16 Cb 0.53 -0.24 -0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2tbd n SER 16 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2tbd n PHE 17 N -1.93 -2.77 -4.63 0.66 1.16 -1.25 -5.14 117.46 103.57 2tbd n PHE 17 Ca 0.05 -2.09 -0.29 0.00 -1.87 0.00 0.00 57.45 53.25 2tbd n PHE 17 Cb 0.40 1.08 -0.07 0.00 -1.61 0.00 0.00 39.48 39.28 2tbd n PHE 17 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2tbd n LEU 18 N 2.27 0.00 -0.05 5.98 4.77 -1.26 -4.49 117.00 124.22 2tbd n LEU 18 Ca 0.17 -3.28 -0.17 0.00 -0.03 0.00 0.00 56.01 52.71 2tbd n LEU 18 Cb 0.57 0.79 -0.14 0.00 -2.33 0.00 0.00 43.42 42.31 2tbd n LEU 18 CO 0.04 -0.49 -0.93 -0.24 -1.33 0.00 0.00 177.39 174.44 2tbd n SER 19 N -1.42 1.58 -3.43 -1.43 2.88 -1.11 -4.62 113.62 106.06 2tbd n SER 19 Ca -0.13 0.14 -0.17 0.00 -1.33 0.00 0.00 58.87 57.38 2tbd n SER 19 Cb 0.65 -0.36 0.03 0.00 -0.75 0.00 0.00 64.21 63.78 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 -3.25 -2.37 -3.61 0.66 -0.00 -1.26 -4.99 115.22 100.39 2tbd n HIS 20 Ca -0.33 0.81 -0.07 0.00 -0.00 0.00 0.00 57.72 58.13 2tbd n HIS 20 Cb 1.05 -3.64 -0.05 0.00 -0.00 0.00 0.00 29.99 27.35 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd s ALA 21 N -3.21 -2.02 -0.01 -1.41 0.00 -1.26 -5.09 121.76 108.76 2tbd s ALA 21 Ca 0.23 1.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 2tbd s ALA 21 Cb -0.07 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.95 2tbd s ALA 21 CO 0.81 -0.27 -0.02 0.28 0.00 0.00 0.00 175.76 176.56 2tbd n VAL 22 N 0.75 0.13 -1.38 0.00 0.31 -1.26 -4.58 118.33 112.29 2tbd n VAL 22 Ca -0.06 0.28 -0.25 0.00 -0.01 0.00 0.00 64.34 64.30 2tbd n VAL 22 Cb 0.58 -1.35 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 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 -2.64 1.45 -0.93 3.52 3.01 -1.26 -2.84 117.46 117.77 2tbd n PHE 23 Ca -0.01 -1.90 -0.33 0.00 1.01 0.00 0.00 57.45 56.22 2tbd n PHE 23 Cb 0.03 -1.35 0.13 0.00 -0.01 0.00 0.00 39.48 38.27 2tbd n PHE 23 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2tbd n SER 24 N 0.96 -0.53 0.00 4.37 2.88 -1.26 -4.90 113.62 115.14 2tbd n SER 24 Ca 0.46 0.46 0.11 0.00 -1.33 0.00 0.00 58.87 58.58 2tbd n SER 24 Cb 0.59 -1.35 0.13 0.00 -0.75 0.00 0.00 64.21 62.82 2tbd n SER 24 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2tbd n ASN 25 N -2.37 0.66 -4.94 -3.46 0.23 -1.26 -4.82 115.26 99.30 2tbd n ASN 25 Ca 0.10 -0.48 -0.25 0.00 -0.53 0.00 0.00 54.58 53.43 2tbd n ASN 25 Cb 0.52 0.50 0.04 0.00 -2.08 0.00 0.00 39.78 38.76 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2tbd s ARG 26 N -3.01 2.74 -0.15 -3.83 0.52 -1.26 -5.08 118.95 108.88 2tbd s ARG 26 Ca 0.10 -0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2tbd s ARG 26 Cb 0.17 -2.35 0.03 0.00 0.52 0.00 0.00 34.95 33.32 2tbd s ARG 26 CO 0.76 -0.73 -0.09 0.95 0.02 0.00 0.00 175.30 176.21 2tbd s THR 27 N -2.92 1.28 0.08 0.02 -4.23 -1.26 -4.60 115.64 104.01 2tbd s THR 27 Ca 0.55 -0.55 0.09 0.00 -1.18 0.00 0.00 61.69 60.60 2tbd s THR 27 Cb -0.10 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 2tbd s THR 27 CO 0.42 0.32 -0.24 -1.48 -0.54 0.00 0.00 174.62 173.11 2tbd s LEU 28 N 1.59 2.23 -0.30 4.79 2.34 -1.05 -4.81 118.68 123.48 2tbd s LEU 28 Ca 0.03 -0.63 0.10 0.00 0.06 0.00 0.00 54.13 53.69 2tbd s LEU 28 Cb -0.14 -1.09 0.72 0.00 -0.56 0.00 0.00 46.19 45.12 2tbd s LEU 28 CO -0.09 0.17 1.74 0.00 -1.06 0.00 0.00 176.35 177.11 2tbd n ALA 29 N 1.43 4.40 -3.44 1.48 0.00 -1.26 -3.83 120.51 119.28 2tbd n ALA 29 Ca -0.18 -2.14 -0.20 0.00 0.00 0.00 0.00 53.44 50.92 2tbd n ALA 29 Cb 0.53 -1.23 -0.16 0.00 0.00 0.00 0.00 19.45 18.59 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 0.67 0.51 -0.10 0.00 0.40 -1.06 -2.35 117.98 116.04 2tbd s PHE 31 Ca -0.10 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 2tbd s PHE 31 Cb -0.13 -0.28 0.02 0.00 0.51 0.00 0.00 43.02 43.15 2tbd s PHE 31 CO 0.01 -0.52 -0.08 0.00 0.70 0.00 0.00 175.22 175.33 2tbd s ALA 32 N -3.95 1.24 -0.13 5.36 0.00 -0.61 -2.62 121.76 121.05 2tbd s ALA 32 Ca 0.13 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 2tbd s ALA 32 Cb 0.06 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2tbd s ALA 32 CO -0.05 -0.29 0.21 0.42 0.00 0.00 0.00 175.76 176.05 2tbd s ILE 33 N 1.48 5.37 -0.51 0.00 -1.09 -0.72 -2.03 121.20 123.70 2tbd s ILE 33 Ca 0.00 0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.79 2tbd s ILE 33 Cb -0.13 -3.51 0.13 0.00 -1.58 0.00 0.00 42.46 37.37 2tbd s ILE 33 CO -0.05 0.52 0.29 -0.47 -1.23 0.00 0.00 174.94 174.00 2tbd s TYR 34 N -0.41 3.47 0.03 3.97 5.04 -0.65 -0.36 117.35 128.44 2tbd s TYR 34 Ca 0.15 -2.74 0.00 0.00 -2.44 0.00 0.00 57.07 52.04 2tbd s TYR 34 Cb -0.13 -3.11 -0.02 0.00 0.35 0.00 0.00 41.96 39.05 2tbd s TYR 34 CO 0.04 -0.88 -0.04 0.95 -1.34 0.00 0.00 175.55 174.29 2tbd s THR 35 N 0.37 0.22 1.01 4.34 -4.23 -0.98 -1.64 115.64 114.73 2tbd s THR 35 Ca 0.14 -1.12 -0.20 0.00 -1.18 0.00 0.00 61.69 59.32 2tbd s THR 35 Cb -0.22 -0.58 -0.11 0.00 1.34 0.00 0.00 72.50 72.94 2tbd s THR 35 CO -0.04 -0.58 -0.80 1.07 -0.54 0.00 0.00 174.62 173.74 2tbd n THR 36 N 1.27 0.00 -0.24 3.99 5.66 -1.26 -1.61 114.28 122.09 2tbd n THR 36 Ca -0.22 -0.26 -0.03 0.00 -3.05 0.00 0.00 64.05 60.50 2tbd n THR 36 Cb 0.56 -0.16 0.16 0.00 -1.55 0.00 0.00 70.33 69.34 2tbd n THR 36 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2tbd h LYS 37 N -1.22 1.06 0.00 1.09 2.10 -1.84 -1.24 116.57 116.53 2tbd h LYS 37 Ca -0.43 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 2tbd h LYS 37 Cb 1.34 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2tbd h LYS 37 CO 0.26 0.80 0.00 0.39 -2.00 0.00 0.00 179.45 178.90 2tbd n GLU 38 N -4.33 0.14 -0.09 0.07 1.02 -1.26 -2.12 120.64 114.07 2tbd n GLU 38 Ca 0.07 0.49 -0.14 0.00 -0.02 0.00 0.00 57.16 57.57 2tbd n GLU 38 Cb 0.13 -1.85 -0.06 0.00 -0.02 0.00 0.00 31.44 29.64 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 -2.13 0.52 0.13 3.49 5.02 -0.50 -4.11 118.16 120.58 2tbd n LYS 39 Ca 0.01 0.43 0.16 0.00 -2.02 0.00 0.00 58.31 56.89 2tbd n LYS 39 Cb 0.14 -1.62 0.73 0.00 -0.02 0.00 0.00 35.03 34.26 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 -0.88 2.13 -0.52 7.82 0.00 -1.46 0.27 119.26 126.62 2tbd h ALA 40 Ca -0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2tbd h ALA 40 Cb 0.98 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2tbd h ALA 40 CO -0.12 -0.38 0.21 0.00 0.00 0.00 0.00 179.25 178.97 2tbd h ALA 41 N 1.80 1.39 0.10 0.00 0.00 -1.60 0.29 119.26 121.24 2tbd h ALA 41 Ca 0.13 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2tbd h ALA 41 Cb 0.59 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.19 2tbd h ALA 41 CO -0.00 0.46 -0.84 -0.07 0.00 0.00 0.00 179.25 178.80 2tbd h LEU 42 N 0.75 0.57 -0.29 0.00 3.38 -1.11 -3.18 115.31 115.43 2tbd h LEU 42 Ca 0.18 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2tbd h LEU 42 Cb 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2tbd h LEU 42 CO -0.02 1.39 0.00 0.18 0.09 0.00 0.00 178.44 180.08 2tbd n LEU 43 N -4.08 0.36 0.05 1.67 4.77 -0.89 -2.64 117.00 116.24 2tbd n LEU 43 Ca -0.13 0.58 -0.02 0.00 -0.03 0.00 0.00 56.01 56.41 2tbd n LEU 43 Cb 0.81 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2tbd n LEU 43 CO 0.50 -0.35 0.39 0.22 -1.33 0.00 0.00 177.39 176.83 2tbd h TYR 44 N 0.00 -0.13 0.00 -1.77 3.20 -0.40 -1.25 116.97 116.62 2tbd h TYR 44 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2tbd h TYR 44 Cb 0.37 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2tbd h TYR 44 CO 0.00 -0.08 0.00 0.36 -1.64 0.00 0.00 178.16 176.80 2tbd n LYS 45 N -2.46 0.07 0.00 1.82 2.85 -1.24 -2.25 118.16 116.94 2tbd n LYS 45 Ca -0.02 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 2tbd n LYS 45 Cb 0.06 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 2tbd n LYS 45 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2tbd n LYS 46 N -1.43 0.00 0.09 -1.58 4.81 -1.08 -4.08 118.16 114.89 2tbd n LYS 46 Ca 0.04 0.45 0.17 0.00 -0.87 0.00 0.00 58.31 58.10 2tbd n LYS 46 Cb 0.14 -0.95 0.69 0.00 0.02 0.00 0.00 35.03 34.93 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2tbd h ILE 47 N 0.00 0.79 -1.78 3.15 2.04 -1.30 -1.94 117.51 118.47 2tbd h ILE 47 Ca 0.00 0.00 0.52 0.00 1.00 0.00 0.00 64.86 66.38 2tbd h ILE 47 Cb 0.00 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 2tbd h ILE 47 CO 0.00 0.00 1.30 0.24 0.00 0.00 0.00 178.15 179.69 2tbd h MET 48 N 0.00 0.00 0.00 2.37 2.86 -1.60 -1.72 114.93 116.85 2tbd h MET 48 Ca 0.17 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2tbd h MET 48 Cb 0.69 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 2tbd h MET 48 CO -0.00 0.00 -1.02 0.39 1.06 0.00 0.00 176.91 177.34 2tbd n GLU 49 N -3.97 3.73 0.05 1.72 1.02 -0.78 -3.65 120.64 118.76 2tbd n GLU 49 Ca 0.40 -0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.64 2tbd n GLU 49 Cb 1.84 -1.01 0.56 0.00 -0.02 0.00 0.00 31.44 32.81 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 0.00 0.25 0.00 3.49 3.64 -0.86 -3.01 116.57 120.08 2tbd h LYS 50 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2tbd h LYS 50 Cb 1.02 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2tbd h LYS 50 CO 0.00 0.16 -0.13 0.66 -2.27 0.00 0.00 179.45 177.87 2tbd n TYR 51 N -4.48 0.00 -4.12 1.91 4.02 -0.72 -4.99 117.16 108.78 2tbd n TYR 51 Ca 0.05 -0.30 -0.29 0.00 -0.01 0.00 0.00 57.90 57.35 2tbd n TYR 51 Cb 0.26 -0.05 -0.05 0.00 -0.02 0.00 0.00 39.34 39.48 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 -0.38 -0.45 -3.77 7.72 7.64 -1.14 -3.87 113.62 119.37 2tbd n SER 52 Ca 0.03 -1.09 -0.50 0.00 1.01 0.00 0.00 58.87 58.32 2tbd n SER 52 Cb 0.52 -2.56 -0.07 0.00 -1.01 0.00 0.00 64.21 61.10 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 0.52 0.44 0.24 -1.24 -4.38 118.33 109.47 2tbd n VAL 53 Ca -0.24 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.12 2tbd n VAL 53 Cb 0.65 -0.07 0.30 0.00 -1.47 0.00 0.00 33.84 33.25 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 1.61 0.93 0.00 3.34 -1.04 -1.21 -4.74 114.28 113.17 2tbd n THR 54 Ca 0.18 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 2tbd n THR 54 Cb 0.05 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 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 -1.43 0.00 -3.66 -1.42 7.35 -1.26 -4.90 117.46 112.14 2tbd n PHE 55 Ca 0.04 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.54 2tbd n PHE 55 Cb 0.14 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.80 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 -0.34 -0.16 -0.08 -2.13 2.07 -1.26 -1.66 121.20 117.64 2tbd s ILE 56 Ca 0.00 0.34 0.05 0.00 -1.41 0.00 0.00 60.65 59.62 2tbd s ILE 56 Cb 0.00 -0.25 -0.00 0.00 0.13 0.00 0.00 42.46 42.34 2tbd s ILE 56 CO 0.00 0.12 -0.22 -0.55 -1.91 0.00 0.00 174.94 172.37 2tbd s SER 57 N 2.21 2.85 -0.37 4.50 0.15 -0.37 -2.79 113.70 119.88 2tbd s SER 57 Ca 0.04 -0.50 -0.19 0.00 0.70 0.00 0.00 55.95 56.01 2tbd s SER 57 Cb -0.12 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 2tbd s SER 57 CO -0.05 0.17 0.54 -0.60 1.20 0.00 0.00 173.24 174.51 2tbd s ARG 58 N 0.18 3.54 0.45 5.44 3.52 0.00 -1.56 118.95 130.53 2tbd s ARG 58 Ca -0.12 -0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.34 2tbd s ARG 58 Cb -0.16 -3.84 -0.01 0.00 -1.56 0.00 0.00 34.95 29.39 2tbd s ARG 58 CO 0.06 -0.72 0.38 -1.01 -0.81 0.00 0.00 175.30 173.20 2tbd s HIS 59 N 2.47 2.42 0.04 5.12 3.76 -1.05 -1.46 115.29 126.58 2tbd s HIS 59 Ca 0.19 -0.59 0.08 0.00 -0.15 0.00 0.00 55.06 54.60 2tbd s HIS 59 Cb -0.15 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 2tbd s HIS 59 CO 0.14 -0.20 -0.23 -0.80 -0.85 0.00 0.00 174.74 172.81 2tbd s ASN 60 N -4.16 3.45 0.05 1.40 0.02 -0.64 -1.49 114.94 113.58 2tbd s ASN 60 Ca 0.45 -0.51 -0.00 0.00 -1.02 0.00 0.00 52.86 51.78 2tbd s ASN 60 Cb -0.02 -0.44 -0.00 0.00 0.02 0.00 0.00 41.25 40.81 2tbd s ASN 60 CO 0.26 0.26 -0.01 -1.54 0.02 0.00 0.00 177.10 176.10 2tbd n SER 61 N 1.70 0.64 0.05 -1.22 3.41 -1.17 -1.95 113.62 115.07 2tbd n SER 61 Ca -0.17 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2tbd n SER 61 Cb 0.52 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 -3.29 -2.34 0.00 7.33 4.01 -1.26 -4.74 117.16 116.86 2tbd n TYR 62 Ca -0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 2tbd n TYR 62 Cb 0.23 1.11 0.00 0.00 -0.31 0.00 0.00 39.34 40.37 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2tbd n ASN 63 N -2.72 2.39 -3.00 7.72 3.02 -1.26 -5.10 115.26 116.31 2tbd n ASN 63 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 2tbd n ASN 63 Cb 0.00 0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2tbd n HIS 64 N -1.13 -0.37 -4.41 3.10 8.25 -1.26 -4.48 115.22 114.90 2tbd n HIS 64 Ca 0.00 -0.88 -0.25 0.00 -0.26 0.00 0.00 57.72 56.34 2tbd n HIS 64 Cb 0.20 -0.14 -0.13 0.00 1.12 0.00 0.00 29.99 31.04 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 -2.09 2.55 -0.49 0.41 -0.87 -0.63 -3.04 114.94 110.77 2tbd s ASN 65 Ca 0.06 -0.63 -0.15 0.00 -1.57 0.00 0.00 52.86 50.57 2tbd s ASN 65 Cb -0.00 -0.17 0.09 0.00 -0.02 0.00 0.00 41.25 41.15 2tbd s ASN 65 CO 0.04 0.10 0.41 -0.63 -2.57 0.00 0.00 177.10 174.45 2tbd s ILE 66 N -1.03 5.10 -0.86 0.60 1.09 -0.55 -2.32 121.20 123.22 2tbd s ILE 66 Ca 0.07 -1.24 -0.25 0.00 -1.10 0.00 0.00 60.65 58.13 2tbd s ILE 66 Cb -0.10 -4.13 0.03 0.00 -1.06 0.00 0.00 42.46 37.21 2tbd s ILE 66 CO 0.03 -0.66 1.43 -0.22 -0.10 0.00 0.00 174.94 175.42 2tbd s LEU 67 N 1.60 3.31 0.09 2.97 2.96 0.52 -2.54 118.68 127.58 2tbd s LEU 67 Ca 0.04 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 52.80 2tbd s LEU 67 Cb -0.26 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 2tbd s LEU 67 CO 0.05 -1.79 1.03 0.12 -1.32 0.00 0.00 176.35 174.44 2tbd s PHE 68 N 5.88 3.68 -0.20 5.38 5.36 -0.60 -1.76 117.98 135.72 2tbd s PHE 68 Ca 0.44 1.66 -0.11 0.00 -0.96 0.00 0.00 56.93 57.96 2tbd s PHE 68 Cb -0.05 -3.17 0.07 0.00 -0.34 0.00 0.00 43.02 39.53 2tbd s PHE 68 CO 0.04 -0.22 0.50 -0.59 -1.46 0.00 0.00 175.22 173.49 2tbd s PHE 69 N 0.39 -0.75 0.47 10.12 -0.71 -1.08 -1.23 117.98 125.19 2tbd s PHE 69 Ca 0.50 1.56 0.01 0.00 -1.04 0.00 0.00 56.93 57.96 2tbd s PHE 69 Cb -0.25 0.39 0.09 0.00 -1.21 0.00 0.00 43.02 42.04 2tbd s PHE 69 CO 0.30 -0.40 0.65 -0.11 -1.34 0.00 0.00 175.22 174.31 2tbd n LEU 70 N 4.31 0.00 -3.58 -1.99 7.94 -0.67 -2.57 117.00 120.44 2tbd n LEU 70 Ca -0.22 -1.43 -0.16 0.00 -1.11 0.00 0.00 56.01 53.09 2tbd n LEU 70 Cb 0.56 -0.41 -0.07 0.00 0.53 0.00 0.00 43.42 44.03 2tbd n LEU 70 CO 0.05 -0.80 0.39 0.42 -1.11 0.00 0.00 177.39 176.34 2tbd s THR 71 N -1.90 0.00 0.00 1.96 -4.23 0.12 -3.29 115.64 108.30 2tbd s THR 71 Ca 0.43 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2tbd s THR 71 Cb -0.03 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.85 2tbd s THR 71 CO 0.29 -0.01 0.07 -0.81 -0.54 0.00 0.00 174.62 173.62 2tbd n PRO 72 N 1.61 0.00 -0.66 3.99 -0.04 -1.25 -4.69 135.00 133.96 2tbd n PRO 72 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.03 2tbd n PRO 72 Cb 0.56 -0.53 0.13 0.00 -0.04 0.00 0.00 33.50 33.62 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 -0.45 -1.80 -4.07 0.54 1.44 -1.26 -4.90 115.22 104.73 2tbd n HIS 73 Ca 0.00 0.18 -0.32 0.00 -2.01 0.00 0.00 57.72 55.57 2tbd n HIS 73 Cb 0.00 -1.45 -0.07 0.00 0.12 0.00 0.00 29.99 28.60 2tbd n HIS 73 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2tbd s ARG 74 N -3.16 3.03 0.12 -1.40 3.52 -1.26 -4.66 118.95 115.14 2tbd s ARG 74 Ca 0.41 -0.56 -0.12 0.00 -0.13 0.00 0.00 55.73 55.33 2tbd s ARG 74 Cb -0.05 -2.83 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2tbd s ARG 74 CO 0.49 0.61 0.32 -3.38 -0.81 0.00 0.00 175.30 172.53 2tbd s HIS 75 N -1.29 0.02 0.08 5.12 0.00 -1.25 -5.02 115.29 112.95 2tbd s HIS 75 Ca 0.26 -0.39 -0.08 0.00 -3.00 0.00 0.00 55.06 51.85 2tbd s HIS 75 Cb -0.12 0.11 -0.06 0.00 -4.00 0.00 0.00 32.58 28.51 2tbd s HIS 75 CO 0.18 -0.67 0.37 0.50 -1.00 0.00 0.00 174.74 174.12 2tbd s ARG 76 N -3.86 3.69 0.52 -0.38 3.52 -1.26 -2.51 118.95 118.67 2tbd s ARG 76 Ca 0.06 0.07 0.26 0.00 -0.13 0.00 0.00 55.73 55.99 2tbd s ARG 76 Cb 0.03 -2.98 1.41 0.00 -1.56 0.00 0.00 34.95 31.85 2tbd s ARG 76 CO -0.09 0.56 1.77 0.28 -0.81 0.00 0.00 175.30 177.01 2tbd h VAL 77 N 2.74 0.00 -0.10 7.11 2.07 -1.81 0.18 116.25 126.43 2tbd h VAL 77 Ca -0.49 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 66.82 2tbd h VAL 77 Cb 1.19 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2tbd h VAL 77 CO 0.68 0.00 -0.77 0.77 0.02 0.00 0.00 177.57 178.26 2tbd h SER 78 N 0.00 0.86 0.00 0.57 4.64 -1.86 0.12 113.55 117.88 2tbd h SER 78 Ca 0.00 -0.66 -0.00 0.00 -0.47 0.00 0.00 61.79 60.66 2tbd h SER 78 Cb 0.46 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2tbd h SER 78 CO 0.00 1.39 -0.00 0.00 -0.87 0.00 0.00 176.83 177.35 2tbd h ALA 79 N 0.49 -0.00 0.00 5.18 0.00 -1.01 -1.66 119.26 122.26 2tbd h ALA 79 Ca -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2tbd h ALA 79 Cb 1.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2tbd h ALA 79 CO 0.16 -0.26 -0.19 0.82 0.00 0.00 0.00 179.25 179.77 2tbd h ILE 80 N -0.48 1.07 0.00 0.00 1.08 -1.50 0.08 117.51 117.76 2tbd h ILE 80 Ca -0.00 -0.67 -0.06 0.00 -0.39 0.00 0.00 64.86 63.74 2tbd h ILE 80 Cb 0.48 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.59 2tbd h ILE 80 CO 0.00 0.19 -0.27 -1.13 -0.69 0.00 0.00 178.15 176.25 2tbd h ASN 81 N 0.00 0.00 0.92 1.72 -1.24 -0.53 -1.51 115.58 114.94 2tbd h ASN 81 Ca -0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2tbd h ASN 81 Cb 0.35 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 2tbd h ASN 81 CO 0.02 0.27 -0.07 -1.13 -1.29 0.00 0.00 177.43 175.23 2tbd h ASN 82 N 0.00 0.00 0.00 1.15 -1.24 0.00 -0.13 115.58 115.36 2tbd h ASN 82 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2tbd h ASN 82 Cb 0.68 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.73 2tbd h ASN 82 CO 0.04 0.07 -0.29 0.22 -1.29 0.00 0.00 177.43 176.18 2tbd h TYR 83 N 0.00 0.00 -0.92 0.67 3.20 -1.24 -3.14 116.97 115.54 2tbd h TYR 83 Ca -0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 2tbd h TYR 83 Cb 0.55 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 2tbd h TYR 83 CO 0.00 0.00 0.58 0.00 -1.64 0.00 0.00 178.16 177.10 2tbd h ALA 84 N -1.40 1.28 0.00 1.82 0.00 -1.50 0.41 119.26 119.87 2tbd h ALA 84 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2tbd h ALA 84 Cb 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2tbd h ALA 84 CO 0.00 0.32 -0.12 0.37 0.00 0.00 0.00 179.25 179.82 2tbd h GLN 85 N 1.03 0.00 0.00 0.00 5.75 -1.21 -1.61 115.11 119.07 2tbd h GLN 85 Ca 0.40 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 2tbd h GLN 85 Cb 0.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.75 2tbd h GLN 85 CO -0.18 0.12 0.00 1.17 -2.65 0.00 0.00 178.83 177.29 2tbd n LYS 86 N -3.40 0.90 -0.81 1.69 4.81 0.13 -3.00 118.16 118.49 2tbd n LYS 86 Ca -0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 2tbd n LYS 86 Cb 0.31 -1.40 0.22 0.00 0.02 0.00 0.00 35.03 34.18 2tbd n LYS 86 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2tbd n LEU 87 N -0.90 4.59 -2.06 3.14 4.77 -0.61 -4.57 117.00 121.37 2tbd n LEU 87 Ca 0.17 -3.56 -0.22 0.00 -0.03 0.00 0.00 56.01 52.37 2tbd n LEU 87 Cb 0.08 -0.65 0.17 0.00 -2.33 0.00 0.00 43.42 40.68 2tbd n LEU 87 CO 0.13 1.08 1.19 0.00 -1.33 0.00 0.00 177.39 178.46 2tbd n THR 89 N -1.11 0.00 -0.02 0.00 -2.24 -1.26 -4.39 114.28 105.26 2tbd n THR 89 Ca 0.56 -0.19 0.01 0.00 -2.27 0.00 0.00 64.05 62.15 2tbd n THR 89 Cb 1.43 1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 70.73 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 -0.69 0.00 -2.04 4.78 -1.74 -1.26 -5.09 117.46 111.41 2tbd n PHE 90 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 2tbd n PHE 90 Cb 0.35 -0.24 0.00 0.00 1.52 0.00 0.00 39.48 41.11 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 -1.96 0.00 -4.93 5.98 7.64 -1.26 -5.16 113.62 113.93 2tbd n SER 91 Ca -0.05 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.57 2tbd n SER 91 Cb 0.41 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.67 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2tbd s PHE 92 N -2.57 2.96 -0.27 1.43 -0.12 -1.26 -4.60 117.98 113.55 2tbd s PHE 92 Ca 0.00 0.45 -0.21 0.00 -0.05 0.00 0.00 56.93 57.12 2tbd s PHE 92 Cb 0.00 -3.10 0.07 0.00 -0.63 0.00 0.00 43.02 39.36 2tbd s PHE 92 CO 0.00 -1.29 0.71 -1.17 -0.05 0.00 0.00 175.22 173.42 2tbd s LEU 93 N -5.18 -0.83 -0.46 -1.99 0.20 -1.26 -4.63 118.68 104.52 2tbd s LEU 93 Ca 0.59 1.47 0.06 0.00 0.69 0.00 0.00 54.13 56.94 2tbd s LEU 93 Cb -0.11 2.43 0.20 0.00 -0.43 0.00 0.00 46.19 48.29 2tbd s LEU 93 CO 0.44 -0.25 0.46 -0.38 -0.29 0.00 0.00 176.35 176.34 2tbd n ILE 94 N 3.34 -0.35 -2.80 6.68 5.41 -0.65 -5.03 119.36 125.95 2tbd n ILE 94 Ca -0.16 -3.97 -0.34 0.00 1.00 0.00 0.00 62.75 59.27 2tbd n ILE 94 Cb 0.57 -1.86 -0.07 0.00 -0.71 0.00 0.00 39.64 37.56 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 -2.78 1.49 0.36 0.00 2.20 -0.86 -4.92 119.74 115.23 2tbd s LYS 96 Ca 0.58 -1.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 2tbd s LYS 96 Cb -0.13 0.51 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 2tbd s LYS 96 CO 0.17 -0.63 0.55 0.20 -0.36 0.00 0.00 175.35 175.28 2tbd s GLY 97 N -2.94 1.42 -0.12 5.54 0.00 -1.26 -1.57 107.32 108.40 2tbd s GLY 97 Ca 0.14 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2tbd s GLY 97 CO 0.03 -0.97 -0.15 0.14 0.00 0.00 0.00 173.10 172.15 2tbd s VAL 98 N -2.33 1.53 -1.30 1.40 1.01 -0.99 -2.73 120.40 116.98 2tbd s VAL 98 Ca 0.42 -0.65 0.22 0.00 0.00 0.00 0.00 61.98 61.97 2tbd s VAL 98 Cb -0.10 -1.40 -0.15 0.00 0.00 0.00 0.00 36.38 34.73 2tbd s VAL 98 CO 0.35 0.45 0.98 0.59 0.00 0.00 0.00 175.10 177.47 2tbd n ASN 99 N 4.30 1.27 -3.15 3.32 3.02 -1.26 -4.52 115.26 118.23 2tbd n ASN 99 Ca -0.19 -1.11 -0.23 0.00 -0.03 0.00 0.00 54.58 53.02 2tbd n ASN 99 Cb 0.51 0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 40.45 2tbd n ASN 99 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2tbd n LYS 100 N -1.08 1.87 0.00 3.52 3.00 -1.26 -5.01 118.16 119.20 2tbd n LYS 100 Ca 0.06 -4.02 0.00 0.00 -0.00 0.00 0.00 58.31 54.35 2tbd n LYS 100 Cb 0.37 -1.87 0.00 0.00 0.00 0.00 0.00 35.03 33.53 2tbd n LYS 100 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2tbd n GLU 101 N 0.42 0.00 -0.04 1.64 0.00 -1.26 -0.98 120.64 120.42 2tbd n GLU 101 Ca 0.27 0.16 0.01 0.00 0.00 0.00 0.00 57.16 57.60 2tbd n GLU 101 Cb 0.51 -0.69 0.02 0.00 0.00 0.00 0.00 31.44 31.29 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2tbd n TYR 102 N -0.35 0.05 0.00 -1.84 4.19 -1.26 -0.95 117.16 117.01 2tbd n TYR 102 Ca 0.00 0.12 0.00 0.00 3.31 0.00 0.00 57.90 61.33 2tbd n TYR 102 Cb 0.00 -0.57 0.00 0.00 0.49 0.00 0.00 39.34 39.26 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 -4.00 0.63 -0.43 2.98 -0.00 -0.68 -2.06 117.00 113.44 2tbd n LEU 103 Ca 0.02 0.53 0.34 0.00 -0.00 0.00 0.00 56.01 56.91 2tbd n LEU 103 Cb 0.06 -0.32 0.55 0.00 -0.00 0.00 0.00 43.42 43.72 2tbd n LEU 103 CO -0.01 -0.32 1.00 0.80 -0.00 0.00 0.00 177.39 178.86 2tbd n MET 104 N -1.45 -0.02 0.00 1.96 1.56 -0.12 0.96 117.12 120.02 2tbd n MET 104 Ca 0.00 0.88 -0.10 0.00 -0.27 0.00 0.00 57.70 58.21 2tbd n MET 104 Cb 0.00 -1.86 -0.08 0.00 2.15 0.00 0.00 33.22 33.43 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 -0.11 -0.43 1.12 3.20 -1.37 -1.36 116.97 118.02 2tbd h TYR 105 Ca 0.68 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.63 2tbd h TYR 105 Cb 2.43 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 40.64 2tbd h TYR 105 CO -0.00 0.41 -0.24 1.03 -1.64 0.00 0.00 178.16 177.72 2tbd h SER 106 N -0.90 -0.81 0.33 -2.11 0.87 0.12 0.49 113.55 111.54 2tbd h SER 106 Ca -0.01 0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2tbd h SER 106 Cb 0.57 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2tbd h SER 106 CO 0.02 -0.26 -0.21 0.00 -0.53 0.00 0.00 176.83 175.85 2tbd h ALA 107 N 1.07 1.43 0.00 6.23 0.00 -1.43 -1.71 119.26 124.85 2tbd h ALA 107 Ca 0.20 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2tbd h ALA 107 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2tbd h ALA 107 CO -0.52 0.26 -0.35 -0.07 0.00 0.00 0.00 179.25 178.57 2tbd h LEU 108 N 0.00 0.00 0.00 0.00 3.38 0.11 -2.62 115.31 116.18 2tbd h LEU 108 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2tbd h LEU 108 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2tbd h LEU 108 CO 0.03 0.35 -0.94 0.71 0.09 0.00 0.00 178.44 178.68 2tbd h THR 109 N 0.00 0.20 -3.64 0.22 1.35 -0.24 -3.25 112.91 107.54 2tbd h THR 109 Ca -0.00 -1.37 -0.51 0.00 -0.55 0.00 0.00 66.41 63.98 2tbd h THR 109 Cb 0.66 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.84 2tbd h THR 109 CO 0.05 0.12 0.13 -0.60 -0.25 0.00 0.00 175.52 174.96 2tbd s ARG 110 N -3.19 4.22 0.68 4.72 6.06 -0.81 -4.43 118.95 126.19 2tbd s ARG 110 Ca 0.00 0.87 -0.17 0.00 -2.50 0.00 0.00 55.73 53.93 2tbd s ARG 110 Cb 0.09 -2.75 -0.02 0.00 0.06 0.00 0.00 34.95 32.32 2tbd s ARG 110 CO 0.78 0.32 0.87 -0.40 -2.50 0.00 0.00 175.30 174.37 2tbd n ASP 111 N 0.43 0.21 0.00 -2.12 5.68 -1.26 -0.28 116.55 119.20 2tbd n ASP 111 Ca -0.00 0.70 0.15 0.00 -0.50 0.00 0.00 54.79 55.13 2tbd n ASP 111 Cb 0.52 -1.36 0.88 0.00 -1.14 0.00 0.00 41.12 40.01 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 -1.32 0.94 -2.53 0.11 -0.04 -1.26 -4.99 135.00 125.90 2tbd n PRO 112 Ca 0.13 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.18 2tbd n PRO 112 Cb 0.49 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.00 2.28 0.56 0.54 0.08 0.61 -4.50 117.98 115.55 2tbd s PHE 113 Ca 0.44 -0.08 -0.02 0.00 0.12 0.00 0.00 56.93 57.39 2tbd s PHE 113 Cb 0.20 -4.62 0.02 0.00 -0.57 0.00 0.00 43.02 38.06 2tbd s PHE 113 CO 0.34 -2.08 0.82 -1.12 -0.10 0.00 0.00 175.22 173.08 2tbd s SER 114 N 3.96 5.43 0.00 1.36 0.01 -0.82 -2.47 113.70 121.17 2tbd s SER 114 Ca 0.37 0.33 -0.01 0.00 1.31 0.00 0.00 55.95 57.95 2tbd s SER 114 Cb -0.08 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 2tbd s SER 114 CO 0.13 -1.08 0.13 -0.69 0.41 0.00 0.00 173.24 172.15 2tbd s VAL 115 N -2.85 5.06 0.05 3.43 1.01 -1.26 -1.62 120.40 124.22 2tbd s VAL 115 Ca 0.54 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2tbd s VAL 115 Cb -0.10 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2tbd s VAL 115 CO 0.41 0.31 0.00 -0.38 0.00 0.00 0.00 175.10 175.44 2tbd n ILE 116 N 0.99 0.33 -4.45 2.22 5.41 -0.53 -4.88 119.36 118.46 2tbd n ILE 116 Ca -0.11 0.11 -0.22 0.00 1.00 0.00 0.00 62.75 63.53 2tbd n ILE 116 Cb 0.52 -0.99 -0.10 0.00 -0.71 0.00 0.00 39.64 38.36 2tbd n ILE 116 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2tbd s GLU 117 N -1.34 1.60 0.04 0.38 0.41 -1.03 -4.95 118.70 113.82 2tbd s GLU 117 Ca 0.00 -1.83 -0.28 0.00 -0.41 0.00 0.00 54.97 52.45 2tbd s GLU 117 Cb 0.00 -1.17 0.10 0.00 -1.78 0.00 0.00 34.13 31.28 2tbd s GLU 117 CO 0.00 0.00 1.20 -1.83 -0.49 0.00 0.00 175.26 174.14 2tbd s GLU 118 N -3.74 0.64 -0.04 1.61 4.04 -1.26 -0.82 118.70 119.14 2tbd s GLU 118 Ca 0.31 -0.37 0.07 0.00 0.04 0.00 0.00 54.97 55.02 2tbd s GLU 118 Cb 0.05 0.21 -0.11 0.00 0.02 0.00 0.00 34.13 34.30 2tbd s GLU 118 CO 0.13 -0.30 0.11 0.45 -1.84 0.00 0.00 175.26 173.81 2tbd n SER 119 N -0.59 3.23 -4.88 0.83 2.88 -1.12 -4.95 113.62 109.02 2tbd n SER 119 Ca -0.07 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.17 2tbd n SER 119 Cb 0.62 1.07 0.02 0.00 -0.75 0.00 0.00 64.21 65.16 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2tbd s LEU 120 N -3.96 3.13 0.11 2.46 1.43 -1.26 -4.98 118.68 115.60 2tbd s LEU 120 Ca -0.03 1.31 -0.02 0.00 -1.03 0.00 0.00 54.13 54.35 2tbd s LEU 120 Cb 0.04 -4.27 -0.18 0.00 0.03 0.00 0.00 46.19 41.80 2tbd s LEU 120 CO 0.31 -1.02 1.23 1.55 0.23 0.00 0.00 176.35 178.65 2tbd h PRO 121 N -0.42 0.27 0.00 1.29 0.13 -2.01 -3.37 132.00 127.90 2tbd h PRO 121 Ca -0.44 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2tbd h PRO 121 Cb 1.21 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2tbd h PRO 121 CO 0.63 1.13 -0.19 0.41 -0.23 0.00 0.00 178.00 179.75 2tbd n GLY 122 N 1.26 0.77 0.00 1.56 0.00 -1.26 -5.13 105.19 102.39 2tbd n GLY 122 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.11 -0.43 3.70 -0.02 0.00 -1.26 -4.92 105.19 103.36 2tbd n GLY 123 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 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 4.37 0.00 0.99 1.02 -1.26 -4.81 118.68 118.99 2tbd s LEU 124 Ca 0.00 2.54 0.00 0.00 0.02 0.00 0.00 54.13 56.69 2tbd s LEU 124 Cb 0.00 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.64 2tbd s LEU 124 CO 0.00 -0.87 0.00 1.17 0.02 0.00 0.00 176.35 176.67 2tbd n LYS 125 N 4.99 0.00 -0.50 1.70 3.00 -1.26 -4.95 118.16 121.14 2tbd n LYS 125 Ca 0.15 0.00 0.41 0.00 -0.00 0.00 0.00 58.31 58.87 2tbd n LYS 125 Cb 0.40 0.00 0.63 0.00 0.00 0.00 0.00 35.03 36.06 2tbd n LYS 125 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2tbd n GLU 126 N 0.00 0.00 0.00 1.64 1.02 -1.26 -1.90 120.64 120.15 2tbd n GLU 126 Ca 0.00 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 2tbd n GLU 126 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 2tbd n GLU 126 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2tbd n HIS 127 N -3.50 0.00 -2.75 -0.32 8.25 -1.26 -4.54 115.22 111.10 2tbd n HIS 127 Ca 0.34 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.72 2tbd n HIS 127 Cb 1.67 -0.36 0.05 0.00 1.12 0.00 0.00 29.99 32.47 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 -2.34 -2.81 0.22 0.41 -0.08 -0.80 -5.01 116.55 106.14 2tbd n ASP 128 Ca 0.00 -3.30 0.00 0.00 -1.51 0.00 0.00 54.79 49.98 2tbd n ASP 128 Cb 0.00 1.82 0.00 0.00 2.34 0.00 0.00 41.12 45.28 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2tbd n PHE 129 N 1.54 -4.51 -3.70 -0.67 3.72 -1.21 -4.92 117.46 107.70 2tbd n PHE 129 Ca 0.09 1.49 -0.38 0.00 -0.05 0.00 0.00 57.45 58.60 2tbd n PHE 129 Cb 0.64 3.68 -0.10 0.00 -0.94 0.00 0.00 39.48 42.76 2tbd n PHE 129 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2tbd s ASN 130 N -2.16 5.40 1.01 4.37 3.04 -1.26 -4.96 114.94 120.39 2tbd s ASN 130 Ca 0.00 -2.13 -0.03 0.00 0.04 0.00 0.00 52.86 50.74 2tbd s ASN 130 Cb 0.00 -1.89 0.04 0.00 -1.54 0.00 0.00 41.25 37.87 2tbd s ASN 130 CO 0.00 -0.56 0.23 -0.81 -3.04 0.00 0.00 177.10 172.92 2tbd n PRO 131 N 4.51 -0.50 -1.77 0.43 -0.04 -1.26 -4.38 135.00 131.99 2tbd n PRO 131 Ca -0.02 -0.36 -0.33 0.00 -0.04 0.00 0.00 63.50 62.74 2tbd n PRO 131 Cb 0.41 -0.26 -0.03 0.00 -0.04 0.00 0.00 33.50 33.58 2tbd n PRO 131 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2tbd n GLU 132 N -1.65 3.27 -2.97 0.54 4.07 -1.26 -4.85 120.64 117.79 2tbd n GLU 132 Ca 0.03 -2.97 -0.04 0.00 -0.06 0.00 0.00 57.16 54.12 2tbd n GLU 132 Cb 0.11 -2.31 0.00 0.00 -0.06 0.00 0.00 31.44 29.18 2tbd n GLU 132 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2tbd n SER 133 N 0.84 -7.30 0.00 4.31 2.88 -1.26 -5.33 113.62 107.77 2tbd n SER 133 Ca 0.53 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 2tbd n SER 133 Cb 0.41 -3.67 0.00 0.00 -0.75 0.00 0.00 64.21 60.20 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57