#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vnd n SER 2 N 0.00 1.13 -0.04 0.00 2.88 -1.26 -5.06 113.62 111.26 1vnd n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1vnd n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1vnd n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1vnd n ASP 3 N 0.00 0.00 0.00 -3.46 2.03 -1.26 -5.11 116.55 108.75 1vnd n ASP 3 Ca 0.00 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1vnd n ASP 3 Cb 0.00 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1vnd n ASP 3 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vnd n GLY 4 N 0.00 -0.53 0.73 0.27 0.00 -1.26 -5.07 105.19 99.32 1vnd n GLY 4 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1vnd n GLY 4 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1vnd n LEU 5 N 0.00 0.00 -3.59 0.99 -0.00 -1.26 -5.05 117.00 108.09 1vnd n LEU 5 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1vnd n LEU 5 Cb 0.00 0.17 0.01 0.00 -0.00 0.00 0.00 43.42 43.60 1vnd n LEU 5 CO 0.00 -0.18 1.93 -0.81 -0.00 0.00 0.00 177.39 178.33 1vnd n PRO 6 N -1.86 4.90 0.00 1.47 -0.04 -1.26 -2.43 135.00 135.78 1vnd n PRO 6 Ca 0.00 -4.01 0.00 0.00 -0.04 0.00 0.00 63.50 59.45 1vnd n PRO 6 Cb 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 1vnd n PRO 6 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1vnd n ASN 7 N 1.08 0.00 -0.08 3.54 5.15 -1.26 -4.83 115.26 118.86 1vnd n ASN 7 Ca 0.53 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 54.38 1vnd n ASN 7 Cb 0.26 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.37 1vnd n ASN 7 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1vnd n LYS 8 N -0.55 0.68 -3.32 1.20 4.01 -1.19 -4.80 118.16 114.18 1vnd n LYS 8 Ca 0.00 0.14 -0.11 0.00 -0.51 0.00 0.00 58.31 57.83 1vnd n LYS 8 Cb 0.00 -1.60 -0.07 0.00 -0.51 0.00 0.00 35.03 32.85 1vnd n LYS 8 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1vnd s LYS 9 N -2.53 0.42 0.00 1.97 2.20 -1.02 -4.82 119.74 115.96 1vnd s LYS 9 Ca -0.18 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 1vnd s LYS 9 Cb 0.07 -0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 1vnd s LYS 9 CO 0.75 -1.05 0.00 2.89 -0.36 0.00 0.00 175.35 177.58 1vnd n ARG 10 N 5.25 2.78 0.02 4.03 1.85 -1.26 -4.26 116.66 125.08 1vnd n ARG 10 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 1vnd n ARG 10 Cb 0.49 -0.30 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 1vnd n ARG 10 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1vnd n LYS 11 N -0.38 0.00 0.00 2.89 4.01 -1.26 -5.01 118.16 118.41 1vnd n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1vnd n LYS 11 Cb 0.00 -0.16 0.00 0.00 -0.51 0.00 0.00 35.03 34.36 1vnd n LYS 11 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1vnd n ARG 12 N -2.84 0.00 -0.85 1.97 1.74 -1.26 -4.66 116.66 110.76 1vnd n ARG 12 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1vnd n ARG 12 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1vnd n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1vnd n ARG 13 N 0.00 1.05 0.00 5.56 5.12 -1.26 -5.11 116.66 122.02 1vnd n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1vnd n ARG 13 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1vnd n ARG 13 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1vnd n VAL 14 N -1.01 0.00 -1.73 1.55 0.24 -1.26 -4.92 118.33 111.20 1vnd n VAL 14 Ca 0.00 0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 62.33 1vnd n VAL 14 Cb 0.00 -1.14 -0.00 0.00 -1.47 0.00 0.00 33.84 31.23 1vnd n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vnd n LEU 15 N -0.16 4.14 -4.90 1.34 -0.00 -1.26 -5.00 117.00 111.17 1vnd n LEU 15 Ca 0.00 1.20 -0.32 0.00 -0.00 0.00 0.00 56.01 56.90 1vnd n LEU 15 Cb 0.00 -1.54 -0.05 0.00 -0.00 0.00 0.00 43.42 41.83 1vnd n LEU 15 CO 0.00 -0.23 -0.02 -0.36 -0.00 0.00 0.00 177.39 176.78 1vnd s PHE 16 N -1.12 3.49 0.06 1.47 0.08 -1.26 -5.07 117.98 115.63 1vnd s PHE 16 Ca 0.55 0.49 0.01 0.00 0.12 0.00 0.00 56.93 58.10 1vnd s PHE 16 Cb -0.52 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 1vnd s PHE 16 CO 0.62 0.48 0.07 2.41 -0.10 0.00 0.00 175.22 178.71 1vnd n THR 17 N 0.21 0.00 0.76 0.64 -1.04 -1.26 -4.82 114.28 108.76 1vnd n THR 17 Ca -0.04 -0.22 0.11 0.00 -2.04 0.00 0.00 64.05 61.86 1vnd n THR 17 Cb 0.52 -0.79 0.47 0.00 -1.82 0.00 0.00 70.33 68.70 1vnd n THR 17 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1vnd n LYS 18 N -0.98 0.01 0.05 -2.82 -0.00 -1.26 -1.66 118.16 111.49 1vnd n LYS 18 Ca 0.01 0.12 -0.22 0.00 -0.00 0.00 0.00 58.31 58.23 1vnd n LYS 18 Cb 0.07 -1.50 -0.15 0.00 -0.00 0.00 0.00 35.03 33.45 1vnd n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vnd h ALA 19 N 2.76 0.06 -0.06 0.58 0.00 -1.99 -3.32 119.26 117.28 1vnd h ALA 19 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 54.91 53.86 1vnd h ALA 19 Cb 0.37 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1vnd h ALA 19 CO 0.00 0.73 -0.30 1.96 0.00 0.00 0.00 179.25 181.64 1vnd h GLN 20 N -0.18 0.30 -0.60 0.00 1.08 -1.85 -3.05 115.11 110.81 1vnd h GLN 20 Ca -0.27 -0.25 -0.09 0.00 -1.45 0.00 0.00 58.65 56.60 1vnd h GLN 20 Cb 1.85 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 29.31 1vnd h GLN 20 CO 0.13 0.90 0.03 1.79 -0.95 0.00 0.00 178.83 180.73 1vnd h THR 21 N -0.22 1.26 0.35 -0.54 1.35 -1.55 -3.02 112.91 110.55 1vnd h THR 21 Ca -0.02 -1.11 -0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1vnd h THR 21 Cb 0.96 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 1vnd h THR 21 CO 0.06 0.40 -0.35 0.22 -0.25 0.00 0.00 175.52 175.60 1vnd h TYR 22 N 0.95 -0.95 -0.32 4.73 3.20 -1.66 -3.01 116.97 119.90 1vnd h TYR 22 Ca 0.17 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 1vnd h TYR 22 Cb 0.52 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1vnd h TYR 22 CO 0.04 -0.49 -0.22 0.93 -1.64 0.00 0.00 178.16 176.78 1vnd h GLU 23 N -0.73 0.61 -0.46 1.82 4.39 -1.57 -2.91 114.58 115.74 1vnd h GLU 23 Ca -0.02 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 1vnd h GLU 23 Cb 0.66 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1vnd h GLU 23 CO -0.07 0.78 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.38 1vnd h LEU 24 N 0.54 0.85 -0.44 1.33 3.38 -1.57 -3.05 115.31 116.34 1vnd h LEU 24 Ca 0.08 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1vnd h LEU 24 Cb 0.67 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1vnd h LEU 24 CO 0.05 0.98 -0.69 -0.33 0.09 0.00 0.00 178.44 178.54 1vnd h GLU 25 N 0.77 0.00 0.01 1.13 5.08 -1.53 -2.98 114.58 117.06 1vnd h GLU 25 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1vnd h GLU 25 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1vnd h GLU 25 CO 0.04 0.69 -0.01 0.00 -1.00 0.00 0.00 179.01 178.73 1vnd h ARG 26 N 0.00 -0.02 -0.84 2.33 2.47 -1.47 -3.07 114.38 113.78 1vnd h ARG 26 Ca -0.01 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1vnd h ARG 26 Cb 1.32 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.61 1vnd h ARG 26 CO 0.09 0.22 0.55 0.00 0.56 0.00 0.00 179.97 181.39 1vnd h ARG 27 N -0.25 1.11 0.00 0.04 -0.00 -1.64 -3.24 114.38 110.40 1vnd h ARG 27 Ca -0.00 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.98 59.36 1vnd h ARG 27 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 1vnd h ARG 27 CO 0.00 0.74 -0.21 0.35 0.00 0.00 0.00 179.97 180.86 1vnd h PHE 28 N 1.14 0.00 -0.15 3.04 3.57 -1.51 -1.61 116.94 121.42 1vnd h PHE 28 Ca 0.31 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.63 1vnd h PHE 28 Cb -0.12 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 1vnd h PHE 28 CO 0.00 0.21 -0.64 0.00 -2.23 0.00 0.00 178.31 175.65 1vnd h ARG 29 N 0.00 0.56 0.00 1.11 2.47 -1.56 -3.37 114.38 113.60 1vnd h ARG 29 Ca -0.00 -0.40 -0.25 0.00 -1.26 0.00 0.00 59.98 58.07 1vnd h ARG 29 Cb 0.57 0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.91 1vnd h ARG 29 CO 0.03 1.02 -1.89 0.94 0.56 0.00 0.00 179.97 180.62 1vnd n GLN 30 N -3.92 0.65 -3.51 0.04 -0.06 -1.12 -5.05 117.38 104.41 1vnd n GLN 30 Ca -0.04 0.11 -0.09 0.00 -2.00 0.00 0.00 57.00 54.98 1vnd n GLN 30 Cb 0.66 -1.67 -0.02 0.00 -4.06 0.00 0.00 30.24 25.14 1vnd n GLN 30 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1vnd s GLN 31 N -2.76 0.78 -0.18 3.69 -2.07 -0.62 -5.06 119.66 113.43 1vnd s GLN 31 Ca -0.06 -0.24 0.04 0.00 -1.82 0.00 0.00 55.36 53.28 1vnd s GLN 31 Cb 0.08 0.36 -0.14 0.00 -1.09 0.00 0.00 33.01 32.22 1vnd s GLN 31 CO 0.83 -0.33 -0.11 0.54 -1.32 0.00 0.00 175.29 174.90 1vnd n ARG 32 N -0.12 0.75 -4.62 9.60 1.74 -1.26 -3.92 116.66 118.83 1vnd n ARG 32 Ca -0.09 0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1vnd n ARG 32 Cb 0.61 -1.38 -0.12 0.00 -1.02 0.00 0.00 32.46 30.55 1vnd n ARG 32 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1vnd s TYR 33 N -2.38 2.75 -0.23 -1.55 1.13 -1.26 -4.95 117.35 110.86 1vnd s TYR 33 Ca -0.21 -0.13 -0.09 0.00 -1.41 0.00 0.00 57.07 55.23 1vnd s TYR 33 Cb 0.06 -1.57 0.09 0.00 -1.10 0.00 0.00 41.96 39.44 1vnd s TYR 33 CO 0.49 0.29 0.51 -0.48 -2.51 0.00 0.00 175.55 173.85 1vnd s LEU 34 N -1.25 -0.70 0.64 -3.49 -0.00 -1.26 -5.17 118.68 107.44 1vnd s LEU 34 Ca 0.15 1.18 -0.10 0.00 -0.00 0.00 0.00 54.13 55.36 1vnd s LEU 34 Cb -0.11 1.71 -0.01 0.00 -0.00 0.00 0.00 46.19 47.79 1vnd s LEU 34 CO 0.05 -0.22 1.01 -0.44 -0.00 0.00 0.00 176.35 176.75 1vnd s SER 35 N 2.34 5.75 0.36 1.48 0.01 -1.26 -4.64 113.70 117.73 1vnd s SER 35 Ca -0.05 1.10 0.13 0.00 1.31 0.00 0.00 55.95 58.44 1vnd s SER 35 Cb -0.10 -2.05 0.95 0.00 0.21 0.00 0.00 66.02 65.03 1vnd s SER 35 CO -0.15 -1.10 1.79 0.00 0.41 0.00 0.00 173.24 174.20 1vnd h ALA 36 N -0.39 1.99 0.00 1.44 0.00 -2.02 -0.19 119.26 120.09 1vnd h ALA 36 Ca -0.45 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1vnd h ALA 36 Cb 1.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1vnd h ALA 36 CO 0.63 -0.36 -0.35 -1.35 0.00 0.00 0.00 179.25 177.82 1vnd h PRO 37 N 0.55 0.00 0.00 0.00 0.11 -2.00 -3.02 132.00 127.65 1vnd h PRO 37 Ca 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.65 1vnd h PRO 37 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1vnd h PRO 37 CO -0.30 0.35 -1.95 -0.85 -0.21 0.00 0.00 178.00 175.03 1vnd n GLU 38 N -4.07 0.63 0.08 1.05 0.28 -1.01 -4.19 120.64 113.41 1vnd n GLU 38 Ca -0.02 -0.18 -0.22 0.00 -0.16 0.00 0.00 57.16 56.58 1vnd n GLU 38 Cb 0.39 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.62 1vnd n GLU 38 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1vnd h ARG 39 N 0.00 0.38 0.00 3.44 2.43 -1.09 -3.02 114.38 116.52 1vnd h ARG 39 Ca -0.02 -0.65 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 1vnd h ARG 39 Cb 0.98 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1vnd h ARG 39 CO 0.00 1.31 -0.37 0.93 -1.51 0.00 0.00 179.97 180.33 1vnd h GLU 40 N -0.19 0.00 0.00 0.20 5.08 -1.78 -3.06 114.58 114.83 1vnd h GLU 40 Ca -0.20 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 1vnd h GLU 40 Cb 1.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 1vnd h GLU 40 CO 0.19 0.00 -0.80 1.25 -1.00 0.00 0.00 179.01 178.65 1vnd h HIS 41 N 0.00 0.00 -0.07 4.33 2.76 -1.73 -2.53 115.15 117.91 1vnd h HIS 41 Ca 0.00 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 1vnd h HIS 41 Cb 0.90 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1vnd h HIS 41 CO 0.00 0.34 -0.71 1.25 -1.30 0.00 0.00 177.93 177.52 1vnd h LEU 42 N 0.00 0.41 -0.34 0.26 7.12 -1.52 -2.83 115.31 118.41 1vnd h LEU 42 Ca -0.05 -0.27 -0.16 0.00 0.13 0.00 0.00 57.88 57.54 1vnd h LEU 42 Cb 1.31 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.29 1vnd h LEU 42 CO 0.04 0.99 -0.75 0.00 -0.13 0.00 0.00 178.44 178.59 1vnd h ALA 43 N 1.00 0.66 0.08 1.25 0.00 -1.56 -2.62 119.26 118.07 1vnd h ALA 43 Ca -0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 54.91 53.95 1vnd h ALA 43 Cb 1.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1vnd h ALA 43 CO 0.12 0.93 -1.23 0.77 0.00 0.00 0.00 179.25 179.84 1vnd h SER 44 N 0.00 0.25 1.18 0.00 0.02 -1.50 0.51 113.55 114.01 1vnd h SER 44 Ca -0.01 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.55 1vnd h SER 44 Cb 1.41 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 1vnd h SER 44 CO 0.10 1.23 -0.86 -0.07 -1.14 0.00 0.00 176.83 176.08 1vnd h LEU 45 N 0.04 0.00 0.00 5.07 3.38 -1.61 -3.34 115.31 118.85 1vnd h LEU 45 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1vnd h LEU 45 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1vnd h LEU 45 CO 0.17 0.42 -1.61 2.30 0.09 0.00 0.00 178.44 179.81 1vnd n ILE 46 N -3.02 0.22 -1.26 1.22 -5.35 -0.98 -5.04 119.36 105.14 1vnd n ILE 46 Ca -0.02 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1vnd n ILE 46 Cb 0.73 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 1vnd n ILE 46 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1vnd n ARG 47 N -2.38 0.00 -1.51 6.28 3.00 -0.71 -4.97 116.66 116.37 1vnd n ARG 47 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1vnd n ARG 47 Cb 0.55 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.48 1vnd n ARG 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1vnd n LEU 48 N -0.73 0.00 -4.84 6.15 4.77 0.09 -5.04 117.00 117.40 1vnd n LEU 48 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1vnd n LEU 48 Cb 0.33 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1vnd n LEU 48 CO 0.00 0.00 -0.20 0.42 -1.33 0.00 0.00 177.39 176.28 1vnd s THR 49 N -1.44 5.10 0.37 -5.08 -4.23 -1.26 -4.48 115.64 104.62 1vnd s THR 49 Ca 0.00 -0.26 0.38 0.00 -1.18 0.00 0.00 61.69 60.63 1vnd s THR 49 Cb 0.00 -3.35 0.38 0.00 1.34 0.00 0.00 72.50 70.87 1vnd s THR 49 CO 0.00 0.35 2.15 -0.65 -0.54 0.00 0.00 174.62 175.94 1vnd h PRO 50 N 4.02 0.00 0.00 3.99 0.11 -1.90 -3.01 132.00 135.21 1vnd h PRO 50 Ca -0.49 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.33 1vnd h PRO 50 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1vnd h PRO 50 CO 0.65 0.00 -1.65 0.00 -0.21 0.00 0.00 178.00 176.79 1vnd h THR 51 N 0.00 0.92 0.08 -1.15 1.03 -1.98 -3.02 112.91 108.79 1vnd h THR 51 Ca 0.00 -2.76 -0.26 0.00 -0.01 0.00 0.00 66.41 63.39 1vnd h THR 51 Cb 0.07 2.46 -0.01 0.00 -1.07 0.00 0.00 68.15 69.60 1vnd h THR 51 CO 0.00 0.53 -1.22 0.06 -0.01 0.00 0.00 175.52 174.89 1vnd h GLN 52 N 0.00 0.17 -0.36 0.00 3.07 -1.96 -2.85 115.11 113.18 1vnd h GLN 52 Ca -0.26 -0.28 -0.17 0.00 0.09 0.00 0.00 58.65 58.02 1vnd h GLN 52 Cb 1.99 0.11 -0.00 0.00 0.08 0.00 0.00 27.48 29.66 1vnd h GLN 52 CO 0.08 1.10 -0.43 -0.24 0.09 0.00 0.00 178.83 179.43 1vnd h VAL 53 N 0.05 1.27 -0.27 1.86 3.04 -1.68 -2.39 116.25 118.13 1vnd h VAL 53 Ca -0.11 -1.61 -0.05 0.00 -1.01 0.00 0.00 66.70 63.91 1vnd h VAL 53 Cb 1.91 1.45 -0.02 0.00 -2.01 0.00 0.00 31.29 32.62 1vnd h VAL 53 CO 0.17 0.54 -0.07 0.50 -1.01 0.00 0.00 177.57 177.70 1vnd h LYS 54 N 0.74 0.43 -0.00 4.17 3.11 -1.62 -2.45 116.57 120.96 1vnd h LYS 54 Ca 0.05 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1vnd h LYS 54 Cb 1.03 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1vnd h LYS 54 CO 0.10 0.51 -0.02 -0.89 -2.81 0.00 0.00 179.45 176.34 1vnd n ILE 55 N -4.26 0.00 0.04 2.00 2.08 -1.07 -2.56 119.36 115.59 1vnd n ILE 55 Ca 0.01 -0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.17 1vnd n ILE 55 Cb 0.27 -0.46 -0.04 0.00 -0.75 0.00 0.00 39.64 38.65 1vnd n ILE 55 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 1vnd h TRP 56 N 0.00 0.75 0.00 1.39 7.01 -0.95 -3.15 115.95 121.01 1vnd h TRP 56 Ca 0.00 -0.38 0.00 0.00 2.11 0.00 0.00 58.89 60.62 1vnd h TRP 56 Cb 0.49 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1vnd h TRP 56 CO 0.00 1.19 -0.31 1.19 -2.79 0.00 0.00 178.44 177.72 1vnd n PHE 57 N -3.82 0.35 -0.11 2.65 3.72 -1.07 -2.22 117.46 116.96 1vnd n PHE 57 Ca -0.07 0.10 -0.13 0.00 -0.05 0.00 0.00 57.45 57.30 1vnd n PHE 57 Cb 0.80 -0.57 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 1vnd n PHE 57 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1vnd h GLN 58 N 0.00 0.86 0.00 -1.08 4.15 -1.57 -3.38 115.11 114.09 1vnd h GLN 58 Ca 0.00 -0.47 -0.11 0.00 0.77 0.00 0.00 58.65 58.84 1vnd h GLN 58 Cb 0.62 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 1vnd h GLN 58 CO 0.00 1.11 -1.39 0.09 -1.93 0.00 0.00 178.83 176.71 1vnd n ASN 59 N -4.12 0.73 -0.16 -0.69 3.02 -1.19 -4.32 115.26 108.53 1vnd n ASN 59 Ca -0.03 0.30 -0.11 0.00 -0.03 0.00 0.00 54.58 54.72 1vnd n ASN 59 Cb 0.54 0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 40.18 1vnd n ASN 59 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 1vnd h HIS 60 N 0.00 0.99 -0.26 3.10 2.76 -1.62 -3.30 115.15 116.82 1vnd h HIS 60 Ca -0.12 -0.21 -0.17 0.00 -2.20 0.00 0.00 60.37 57.68 1vnd h HIS 60 Cb 1.38 -0.24 -0.08 0.00 1.55 0.00 0.00 27.41 30.02 1vnd h HIS 60 CO 0.00 0.97 0.21 2.89 -1.30 0.00 0.00 177.93 180.70 1vnd n ARG 61 N -4.26 1.41 0.00 5.26 -4.01 -1.26 -4.32 116.66 109.48 1vnd n ARG 61 Ca -0.00 -0.83 0.00 0.00 -1.04 0.00 0.00 57.85 55.98 1vnd n ARG 61 Cb 0.38 -1.32 0.00 0.00 -3.04 0.00 0.00 32.46 28.47 1vnd n ARG 61 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 1vnd n TYR 62 N 0.70 0.00 0.00 2.89 9.36 -1.24 -5.04 117.16 123.83 1vnd n TYR 62 Ca 0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1vnd n TYR 62 Cb 0.60 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 1vnd n TYR 62 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1vnd n LYS 63 N 0.00 0.00 0.00 2.98 4.76 -1.26 -4.82 118.16 119.82 1vnd n LYS 63 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1vnd n LYS 63 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1vnd n LYS 63 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1vnd n THR 64 N 0.00 0.00 -0.07 -0.18 5.66 -1.26 -4.65 114.28 113.78 1vnd n THR 64 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1vnd n THR 64 Cb 0.00 -0.56 -0.04 0.00 -1.55 0.00 0.00 70.33 68.18 1vnd n THR 64 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1vnd h LYS 65 N 0.00 0.00 -4.13 1.09 1.79 -2.02 -3.40 116.57 109.90 1vnd h LYS 65 Ca 0.00 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.75 1vnd h LYS 65 Cb 0.00 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.34 1vnd h LYS 65 CO 0.00 0.32 -0.36 0.50 -1.08 0.00 0.00 179.45 178.83 1vnd s ARG 66 N -2.06 2.55 -0.86 3.15 6.06 -1.26 -5.04 118.95 121.49 1vnd s ARG 66 Ca -0.14 -2.00 -0.14 0.00 -2.50 0.00 0.00 55.73 50.96 1vnd s ARG 66 Cb 0.02 -3.90 0.22 0.00 0.06 0.00 0.00 34.95 31.35 1vnd s ARG 66 CO 0.29 -1.19 0.82 0.00 -2.50 0.00 0.00 175.30 172.72 1vnd s ALA 67 N 0.93 4.11 0.00 6.12 0.00 -1.26 -4.85 121.76 126.80 1vnd s ALA 67 Ca 0.10 -3.35 0.00 0.00 0.00 0.00 0.00 51.96 48.71 1vnd s ALA 67 Cb -0.23 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1vnd s ALA 67 CO -0.03 -2.31 0.28 0.00 0.00 0.00 0.00 175.76 173.70 1vnd n GLN 68 N 3.98 0.00 0.00 0.00 10.64 -1.26 -4.73 117.38 126.01 1vnd n GLN 68 Ca 0.15 0.44 0.00 0.00 -1.83 0.00 0.00 57.00 55.76 1vnd n GLN 68 Cb 0.46 -1.09 0.00 0.00 -0.86 0.00 0.00 30.24 28.76 1vnd n GLN 68 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1vnd n ASN 69 N -1.82 0.39 -4.54 2.61 3.02 -1.26 -4.69 115.26 108.97 1vnd n ASN 69 Ca 0.00 -1.20 -0.41 0.00 -0.03 0.00 0.00 54.58 52.93 1vnd n ASN 69 Cb 0.00 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1vnd s GLU 70 N -1.36 3.32 0.94 3.52 2.02 -1.26 -4.81 118.70 121.07 1vnd s GLU 70 Ca 0.00 -0.60 -0.14 0.00 0.02 0.00 0.00 54.97 54.25 1vnd s GLU 70 Cb 0.00 -4.56 -0.02 0.00 0.10 0.00 0.00 34.13 29.65 1vnd s GLU 70 CO 0.00 -2.13 0.10 1.63 0.02 0.00 0.00 175.26 174.88 1vnd n LYS 71 N 9.02 -0.17 0.00 1.61 5.02 -1.26 -4.95 118.16 127.43 1vnd n LYS 71 Ca 0.12 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1vnd n LYS 71 Cb 0.49 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1vnd n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vnd n GLY 72 N 2.02 0.71 0.75 0.72 0.00 -1.26 -5.06 105.19 103.07 1vnd n GLY 72 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1vnd n GLY 72 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vnd n TYR 73 N 0.00 0.00 -3.59 1.61 4.19 -1.26 -4.43 117.16 113.68 1vnd n TYR 73 Ca 0.00 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 60.93 1vnd n TYR 73 Cb 0.00 -0.05 -0.11 0.00 0.49 0.00 0.00 39.34 39.67 1vnd n TYR 73 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1vnd s GLU 74 N -0.05 1.38 0.00 2.98 0.41 -1.26 -4.97 118.70 117.18 1vnd s GLU 74 Ca 0.00 -2.39 0.00 0.00 -0.41 0.00 0.00 54.97 52.17 1vnd s GLU 74 Cb 0.00 -2.11 0.00 0.00 -1.78 0.00 0.00 34.13 30.24 1vnd s GLU 74 CO 0.00 -1.31 0.00 0.41 -0.49 0.00 0.00 175.26 173.87 1vnd n GLY 75 N 2.78 1.08 3.63 -1.39 0.00 -1.26 -5.18 105.19 104.85 1vnd n GLY 75 Ca 0.23 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 1vnd n GLY 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vnd s HIS 76 N 0.00 -0.83 -2.00 1.61 5.04 -1.26 -4.73 115.29 113.12 1vnd s HIS 76 Ca 0.00 1.92 0.23 0.00 -1.54 0.00 0.00 55.06 55.67 1vnd s HIS 76 Cb 0.00 0.36 1.38 0.00 0.04 0.00 0.00 32.58 34.37 1vnd s HIS 76 CO 0.00 -0.40 1.75 -0.35 -2.34 0.00 0.00 174.74 173.40