#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 2.23 -3.72 0.00 3.41 -1.26 -4.72 113.62 109.55 1vnd n SER 2 Ca 0.00 -3.02 -0.13 0.00 -0.26 0.00 0.00 58.87 55.46 1vnd n SER 2 Cb 0.00 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 1vnd n SER 2 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vnd s ASP 3 N -2.76 -0.46 0.00 4.04 2.15 -1.26 -4.42 116.67 113.96 1vnd s ASP 3 Ca 0.30 0.87 0.00 0.00 0.43 0.00 0.00 52.55 54.15 1vnd s ASP 3 Cb 0.26 0.88 0.00 0.00 -0.30 0.00 0.00 42.92 43.76 1vnd s ASP 3 CO 0.03 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 1vnd n GLY 4 N 2.93 0.15 2.40 2.66 0.00 -1.26 -4.76 105.19 107.31 1vnd n GLY 4 Ca -0.14 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 1vnd n GLY 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vnd n LEU 5 N 0.00 2.36 -4.88 0.99 4.77 -1.26 -4.71 117.00 114.27 1vnd n LEU 5 Ca 0.00 -5.13 -0.30 0.00 -0.03 0.00 0.00 56.01 50.55 1vnd n LEU 5 Cb 0.00 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1vnd n LEU 5 CO 0.00 2.02 0.45 -2.16 -1.33 0.00 0.00 177.39 176.37 1vnd s PRO 6 N -1.85 3.72 0.00 3.23 0.04 -1.26 -5.07 135.00 133.81 1vnd s PRO 6 Ca 0.37 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1vnd s PRO 6 Cb 0.13 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1vnd s PRO 6 CO -0.07 -0.08 0.00 -1.71 0.04 0.00 0.00 177.00 175.18 1vnd n ASN 7 N -1.53 0.00 -4.14 6.66 5.15 -1.26 -4.14 115.26 116.00 1vnd n ASN 7 Ca 0.02 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.68 1vnd n ASN 7 Cb 0.54 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.63 1vnd n ASN 7 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1vnd s LYS 8 N 1.31 2.92 0.14 1.20 1.02 -1.26 -4.76 119.74 120.31 1vnd s LYS 8 Ca 0.00 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.20 1vnd s LYS 8 Cb 0.00 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1vnd s LYS 8 CO 0.00 -0.07 0.24 0.15 -0.92 0.00 0.00 175.35 174.75 1vnd s LYS 9 N 0.95 3.31 -0.00 1.68 1.02 -1.26 -5.02 119.74 120.41 1vnd s LYS 9 Ca -0.04 -0.64 0.15 0.00 0.02 0.00 0.00 55.97 55.45 1vnd s LYS 9 Cb -0.15 -2.90 -0.17 0.00 -0.52 0.00 0.00 37.83 34.09 1vnd s LYS 9 CO -0.05 0.52 0.57 0.54 -0.92 0.00 0.00 175.35 176.02 1vnd n ARG 10 N -0.38 1.86 -2.15 1.68 3.00 -1.26 -5.00 116.66 114.41 1vnd n ARG 10 Ca -0.07 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.85 57.65 1vnd n ARG 10 Cb 0.54 -1.22 0.02 0.00 0.00 0.00 0.00 32.46 31.79 1vnd n ARG 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1vnd n LYS 11 N -1.47 0.96 -0.06 5.56 2.85 -1.26 -5.03 118.16 119.72 1vnd n LYS 11 Ca 0.02 -1.42 0.01 0.00 -1.05 0.00 0.00 58.31 55.86 1vnd n LYS 11 Cb 0.26 0.01 0.03 0.00 -0.65 0.00 0.00 35.03 34.68 1vnd n LYS 11 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1vnd n ARG 12 N -1.34 1.24 0.00 -1.58 3.00 -1.26 -4.84 116.66 111.88 1vnd n ARG 12 Ca 0.04 -0.22 0.00 0.00 -0.01 0.00 0.00 57.85 57.66 1vnd n ARG 12 Cb 0.27 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.30 1vnd n ARG 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1vnd n ARG 13 N -0.06 0.00 -3.18 5.56 5.12 -1.26 -4.92 116.66 117.93 1vnd n ARG 13 Ca 0.02 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.55 1vnd n ARG 13 Cb 0.25 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.49 1vnd n ARG 13 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1vnd s VAL 14 N 0.00 4.83 -0.21 1.55 -7.23 -1.26 -5.07 120.40 113.00 1vnd s VAL 14 Ca 0.00 1.32 -0.08 0.00 -1.81 0.00 0.00 61.98 61.40 1vnd s VAL 14 Cb 0.00 -3.96 0.09 0.00 0.56 0.00 0.00 36.38 33.07 1vnd s VAL 14 CO 0.00 0.44 0.46 -1.48 -0.31 0.00 0.00 175.10 174.21 1vnd s LEU 15 N -0.38 -0.60 0.26 1.32 2.34 -1.26 -5.10 118.68 115.25 1vnd s LEU 15 Ca 0.32 1.06 -0.13 0.00 0.06 0.00 0.00 54.13 55.45 1vnd s LEU 15 Cb -0.19 1.51 -0.08 0.00 -0.56 0.00 0.00 46.19 46.87 1vnd s LEU 15 CO 0.19 -0.22 0.63 -0.36 -1.06 0.00 0.00 176.35 175.52 1vnd s PHE 16 N 2.35 3.43 0.24 3.48 0.08 -1.26 -5.12 117.98 121.19 1vnd s PHE 16 Ca -0.04 1.05 0.02 0.00 0.12 0.00 0.00 56.93 58.08 1vnd s PHE 16 Cb -0.11 -2.39 0.02 0.00 -0.57 0.00 0.00 43.02 39.97 1vnd s PHE 16 CO -0.14 0.22 0.17 2.41 -0.10 0.00 0.00 175.22 177.78 1vnd n THR 17 N -0.10 0.00 1.05 0.64 -1.04 -1.26 -4.82 114.28 108.75 1vnd n THR 17 Ca 0.01 -0.99 0.02 0.00 -2.04 0.00 0.00 64.05 61.05 1vnd n THR 17 Cb 0.53 -0.24 0.06 0.00 -1.82 0.00 0.00 70.33 68.86 1vnd n THR 17 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vnd n LYS 18 N -1.03 1.52 -0.09 -2.82 5.02 -1.26 -1.70 118.16 117.80 1vnd n LYS 18 Ca -0.02 -0.50 -0.17 0.00 -2.02 0.00 0.00 58.31 55.60 1vnd n LYS 18 Cb 0.28 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1vnd n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vnd h ALA 19 N 2.70 0.13 0.01 7.82 0.00 -1.99 -3.39 119.26 124.54 1vnd h ALA 19 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 1vnd h ALA 19 Cb 0.52 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1vnd h ALA 19 CO 0.05 0.38 -0.05 1.96 0.00 0.00 0.00 179.25 181.59 1vnd h GLN 20 N -1.00 0.02 -0.50 0.00 1.08 -1.76 -3.04 115.11 109.91 1vnd h GLN 20 Ca -0.17 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 56.94 1vnd h GLN 20 Cb 1.07 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 1vnd h GLN 20 CO -0.10 0.99 0.08 1.79 -0.95 0.00 0.00 178.83 180.63 1vnd h THR 21 N -0.93 1.23 0.91 -0.54 1.35 -1.63 -3.02 112.91 110.27 1vnd h THR 21 Ca -0.01 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 64.95 1vnd h THR 21 Cb 1.01 0.76 0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1vnd h THR 21 CO 0.01 0.31 -0.45 0.22 -0.25 0.00 0.00 175.52 175.36 1vnd h TYR 22 N 0.75 -1.16 -0.21 4.73 3.20 -1.76 -2.97 116.97 119.55 1vnd h TYR 22 Ca 0.16 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 1vnd h TYR 22 Cb 0.34 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1vnd h TYR 22 CO 0.02 -0.71 -0.32 0.93 -1.64 0.00 0.00 178.16 176.43 1vnd h GLU 23 N -1.23 0.43 -0.40 1.82 4.39 -1.57 -2.91 114.58 115.11 1vnd h GLU 23 Ca -0.12 -0.18 -0.12 0.00 0.34 0.00 0.00 59.36 59.28 1vnd h GLU 23 Cb 0.95 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1vnd h GLU 23 CO 0.20 0.71 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.46 1vnd h LEU 24 N 0.37 0.81 -0.39 1.33 3.38 -1.63 -3.02 115.31 116.16 1vnd h LEU 24 Ca 0.05 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1vnd h LEU 24 Cb 0.75 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1vnd h LEU 24 CO 0.06 1.01 -0.61 -0.33 0.09 0.00 0.00 178.44 178.65 1vnd h GLU 25 N 0.69 0.00 -0.18 1.13 4.39 -1.48 -2.78 114.58 116.35 1vnd h GLU 25 Ca 0.09 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.67 1vnd h GLU 25 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1vnd h GLU 25 CO 0.06 0.61 -0.37 0.00 -1.16 0.00 0.00 179.01 178.15 1vnd h ARG 26 N 0.00 0.56 0.00 2.33 3.08 -1.54 -2.85 114.38 115.97 1vnd h ARG 26 Ca -0.01 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 1vnd h ARG 26 Cb 1.30 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1vnd h ARG 26 CO 0.08 0.98 -0.17 0.00 -1.07 0.00 0.00 179.97 179.79 1vnd h ARG 27 N 0.22 0.00 0.00 0.04 2.47 -1.61 -2.94 114.38 112.56 1vnd h ARG 27 Ca 0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.63 1vnd h ARG 27 Cb 0.97 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 1vnd h ARG 27 CO 0.08 0.17 -0.46 0.35 0.56 0.00 0.00 179.97 180.67 1vnd h PHE 28 N 0.00 0.00 0.00 3.04 3.57 -1.48 -2.63 116.94 119.44 1vnd h PHE 28 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1vnd h PHE 28 Cb 0.71 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1vnd h PHE 28 CO 0.00 0.46 -0.12 0.00 -2.23 0.00 0.00 178.31 176.42 1vnd h ARG 29 N 0.00 0.00 0.01 1.11 2.47 -1.31 -3.30 114.38 113.35 1vnd h ARG 29 Ca -0.00 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.40 1vnd h ARG 29 Cb 0.86 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.13 1vnd h ARG 29 CO 0.06 0.12 -1.93 0.94 0.56 0.00 0.00 179.97 179.72 1vnd n GLN 30 N -3.13 0.65 -3.74 0.04 -0.06 -1.23 -5.07 117.38 104.84 1vnd n GLN 30 Ca 0.03 0.21 -0.00 0.00 -2.00 0.00 0.00 57.00 55.24 1vnd n GLN 30 Cb 0.58 -1.71 0.02 0.00 -4.06 0.00 0.00 30.24 25.06 1vnd n GLN 30 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1vnd n GLN 31 N -2.99 0.39 -0.08 3.69 10.64 -0.99 -5.08 117.38 122.96 1vnd n GLN 31 Ca -0.23 -1.04 -0.15 0.00 -1.83 0.00 0.00 57.00 53.75 1vnd n GLN 31 Cb 1.08 1.51 -0.05 0.00 -0.86 0.00 0.00 30.24 31.92 1vnd n GLN 31 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1vnd n ARG 32 N -0.75 0.39 -5.10 2.61 1.74 -1.26 -3.97 116.66 110.31 1vnd n ARG 32 Ca 0.01 0.17 -0.29 0.00 -0.77 0.00 0.00 57.85 56.96 1vnd n ARG 32 Cb 0.53 -1.16 -0.16 0.00 -1.02 0.00 0.00 32.46 30.66 1vnd n ARG 32 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1vnd s TYR 33 N -2.44 2.13 -0.04 -1.55 1.51 -1.26 -4.89 117.35 110.81 1vnd s TYR 33 Ca -0.24 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.40 1vnd s TYR 33 Cb 0.08 -1.35 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1vnd s TYR 33 CO 0.32 -0.00 0.07 -0.48 -1.11 0.00 0.00 175.55 174.34 1vnd s LEU 34 N -0.71 0.48 0.58 -1.29 -0.00 -1.26 -5.16 118.68 111.32 1vnd s LEU 34 Ca 0.09 0.11 -0.09 0.00 -0.00 0.00 0.00 54.13 54.24 1vnd s LEU 34 Cb -0.09 -0.04 -0.04 0.00 -0.00 0.00 0.00 46.19 46.02 1vnd s LEU 34 CO -0.00 -0.20 0.95 -0.44 -0.00 0.00 0.00 176.35 176.66 1vnd s SER 35 N 1.74 6.20 0.40 1.48 0.01 -1.26 -4.61 113.70 117.66 1vnd s SER 35 Ca -0.01 1.24 0.19 0.00 1.31 0.00 0.00 55.95 58.68 1vnd s SER 35 Cb -0.12 -2.36 1.12 0.00 0.21 0.00 0.00 66.02 64.86 1vnd s SER 35 CO -0.03 -0.80 1.76 0.00 0.41 0.00 0.00 173.24 174.58 1vnd h ALA 36 N -0.16 2.25 0.00 1.44 0.00 -2.02 -1.11 119.26 119.67 1vnd h ALA 36 Ca -0.45 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1vnd h ALA 36 Cb 1.20 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1vnd h ALA 36 CO 0.62 -0.67 -0.32 -1.35 0.00 0.00 0.00 179.25 177.53 1vnd h PRO 37 N 0.38 0.00 0.00 0.00 0.11 -1.99 -2.98 132.00 127.51 1vnd h PRO 37 Ca 0.61 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.67 1vnd h PRO 37 Cb 1.55 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.66 1vnd h PRO 37 CO -0.30 0.32 -1.79 -0.85 -0.21 0.00 0.00 178.00 175.17 1vnd n GLU 38 N -3.90 0.65 0.05 1.05 -0.00 -1.03 -4.22 120.64 113.24 1vnd n GLU 38 Ca -0.02 -0.13 -0.20 0.00 -0.00 0.00 0.00 57.16 56.82 1vnd n GLU 38 Cb 0.39 -1.38 -0.12 0.00 -0.00 0.00 0.00 31.44 30.32 1vnd n GLU 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1vnd h ARG 39 N 0.00 0.56 0.00 3.44 2.43 -1.28 -3.05 114.38 116.48 1vnd h ARG 39 Ca -0.06 -0.68 -0.02 0.00 -0.81 0.00 0.00 59.98 58.41 1vnd h ARG 39 Cb 0.92 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1vnd h ARG 39 CO 0.00 1.28 -0.26 0.93 -1.51 0.00 0.00 179.97 180.42 1vnd h GLU 40 N 0.14 0.00 0.00 0.20 4.39 -1.78 -3.11 114.58 114.41 1vnd h GLU 40 Ca -0.14 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.39 1vnd h GLU 40 Cb 1.67 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.30 1vnd h GLU 40 CO 0.19 0.07 -0.92 1.25 -1.16 0.00 0.00 179.01 178.45 1vnd h HIS 41 N 0.00 0.00 0.28 4.33 2.76 -1.73 -2.48 115.15 118.31 1vnd h HIS 41 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1vnd h HIS 41 Cb 1.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1vnd h HIS 41 CO 0.00 0.78 -0.14 1.25 -1.30 0.00 0.00 177.93 178.53 1vnd h LEU 42 N 0.00 -0.32 -1.68 0.26 7.12 -1.55 -2.72 115.31 116.42 1vnd h LEU 42 Ca -0.04 -0.12 -0.04 0.00 0.13 0.00 0.00 57.88 57.81 1vnd h LEU 42 Cb 1.64 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.84 1vnd h LEU 42 CO 0.10 -0.06 -0.19 0.00 -0.13 0.00 0.00 178.44 178.16 1vnd h ALA 43 N 0.07 1.55 0.00 1.25 0.00 -1.63 -1.59 119.26 118.92 1vnd h ALA 43 Ca -0.04 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1vnd h ALA 43 Cb 0.42 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1vnd h ALA 43 CO 0.06 0.23 -1.00 0.77 0.00 0.00 0.00 179.25 179.31 1vnd h SER 44 N 0.00 0.00 0.50 0.00 0.02 -1.51 0.13 113.55 112.69 1vnd h SER 44 Ca -0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1vnd h SER 44 Cb 0.36 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1vnd h SER 44 CO 0.02 0.70 -1.14 0.25 -1.14 0.00 0.00 176.83 175.52 1vnd h LEU 45 N 0.00 0.49 -1.36 5.07 5.85 -1.30 -3.36 115.31 120.69 1vnd h LEU 45 Ca -0.08 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1vnd h LEU 45 Cb 1.60 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1vnd h LEU 45 CO 0.08 1.32 -0.12 2.30 -0.34 0.00 0.00 178.44 181.68 1vnd n ILE 46 N -3.63 0.00 -2.26 4.05 -5.35 -0.61 -5.03 119.36 106.53 1vnd n ILE 46 Ca -0.08 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1vnd n ILE 46 Cb 0.96 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 40.14 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 0.54 0.00 -2.64 6.28 3.00 -0.87 -5.00 116.66 117.97 1vnd n ARG 47 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.86 1vnd n ARG 47 Cb 0.38 -2.37 -0.02 0.00 0.00 0.00 0.00 32.46 30.46 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 -0.57 0.00 -4.89 6.15 4.77 -0.02 -4.61 117.00 117.83 1vnd n LEU 48 Ca 0.00 -0.79 -0.33 0.00 -0.03 0.00 0.00 56.01 54.86 1vnd n LEU 48 Cb 0.47 0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 1vnd n LEU 48 CO 0.00 -0.12 0.02 0.42 -1.33 0.00 0.00 177.39 176.38 1vnd s THR 49 N -1.65 5.18 0.62 -5.08 -4.23 -1.26 -4.64 115.64 104.58 1vnd s THR 49 Ca 0.02 0.16 0.34 0.00 -1.18 0.00 0.00 61.69 61.03 1vnd s THR 49 Cb 0.00 -3.62 0.38 0.00 1.34 0.00 0.00 72.50 70.60 1vnd s THR 49 CO 0.02 0.18 2.22 -0.65 -0.54 0.00 0.00 174.62 175.85 1vnd h PRO 50 N 3.33 0.00 0.00 3.99 0.11 -1.93 -3.05 132.00 134.46 1vnd h PRO 50 Ca -0.48 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.35 1vnd h PRO 50 Cb 1.18 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1vnd h PRO 50 CO 0.70 0.00 -1.66 0.00 -0.21 0.00 0.00 178.00 176.83 1vnd h THR 51 N 0.00 0.91 0.10 -1.15 1.03 -1.96 -3.01 112.91 108.82 1vnd h THR 51 Ca 0.02 -2.75 -0.26 0.00 -0.01 0.00 0.00 66.41 63.42 1vnd h THR 51 Cb 0.18 2.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.71 1vnd h THR 51 CO -0.00 0.52 -1.17 0.06 -0.01 0.00 0.00 175.52 174.93 1vnd h GLN 52 N 0.00 0.25 -0.21 0.00 3.07 -1.70 -3.00 115.11 113.53 1vnd h GLN 52 Ca -0.27 -0.40 -0.05 0.00 0.09 0.00 0.00 58.65 58.03 1vnd h GLN 52 Cb 2.00 0.14 -0.01 0.00 0.08 0.00 0.00 27.48 29.70 1vnd h GLN 52 CO 0.08 1.17 -0.05 -0.24 0.09 0.00 0.00 178.83 179.89 1vnd h VAL 53 N 0.08 1.28 -0.63 1.86 3.04 -1.69 -2.39 116.25 117.81 1vnd h VAL 53 Ca -0.11 -1.03 0.01 0.00 -1.01 0.00 0.00 66.70 64.56 1vnd h VAL 53 Cb 1.88 1.54 -0.03 0.00 -2.01 0.00 0.00 31.29 32.67 1vnd h VAL 53 CO 0.19 0.31 0.41 0.50 -1.01 0.00 0.00 177.57 177.97 1vnd h LYS 54 N 0.12 0.83 -0.00 4.17 3.11 -1.63 -2.81 116.57 120.36 1vnd h LYS 54 Ca 0.05 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1vnd h LYS 54 Cb 0.49 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1vnd h LYS 54 CO 0.02 0.55 -0.16 -0.89 -2.81 0.00 0.00 179.45 176.17 1vnd n ILE 55 N -4.64 0.00 -0.06 2.00 5.41 -1.13 -2.50 119.36 118.43 1vnd n ILE 55 Ca 0.05 -0.05 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 1vnd n ILE 55 Cb 0.02 -0.07 -0.06 0.00 -0.71 0.00 0.00 39.64 38.82 1vnd n ILE 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1vnd h TRP 56 N 0.45 0.89 0.00 1.39 7.01 -1.17 -3.17 115.95 121.35 1vnd h TRP 56 Ca 0.00 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 60.67 1vnd h TRP 56 Cb 0.41 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1vnd h TRP 56 CO 0.00 1.12 -0.13 0.74 -2.79 0.00 0.00 178.44 177.38 1vnd h PHE 57 N 0.41 0.00 0.06 2.65 0.04 -1.51 -2.67 116.94 115.93 1vnd h PHE 57 Ca 0.00 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.51 1vnd h PHE 57 Cb 1.09 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.25 1vnd h PHE 57 CO 0.09 0.00 -1.10 0.37 -0.60 0.00 0.00 178.31 177.06 1vnd h GLN 58 N 0.00 0.46 0.00 1.51 4.15 -1.60 -3.36 115.11 116.28 1vnd h GLN 58 Ca 0.00 -0.58 -0.05 0.00 0.77 0.00 0.00 58.65 58.79 1vnd h GLN 58 Cb 0.86 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1vnd h GLN 58 CO 0.00 1.22 -1.18 0.09 -1.93 0.00 0.00 178.83 177.04 1vnd n ASN 59 N -3.72 0.80 0.15 -0.69 3.02 -1.20 -4.33 115.26 109.29 1vnd n ASN 59 Ca -0.09 0.32 0.12 0.00 -0.03 0.00 0.00 54.58 54.90 1vnd n ASN 59 Cb 0.92 0.46 0.15 0.00 -0.61 0.00 0.00 39.78 40.70 1vnd n ASN 59 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1vnd h HIS 60 N 0.00 0.00 -1.56 3.10 3.86 -1.62 -1.69 115.15 117.24 1vnd h HIS 60 Ca -0.05 0.00 -0.75 0.00 -1.16 0.00 0.00 60.37 58.41 1vnd h HIS 60 Cb 1.16 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.47 1vnd h HIS 60 CO 0.00 0.00 1.87 2.89 0.86 0.00 0.00 177.93 183.55 1vnd n ARG 61 N -2.72 3.55 -2.71 2.45 1.85 -1.26 -3.05 116.66 114.78 1vnd n ARG 61 Ca 0.03 -3.60 -0.07 0.00 -1.00 0.00 0.00 57.85 53.21 1vnd n ARG 61 Cb 0.51 -2.96 0.10 0.00 -1.05 0.00 0.00 32.46 29.06 1vnd n ARG 61 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1vnd n TYR 62 N 4.34 -2.42 -2.86 2.89 0.18 -1.14 -4.98 117.16 113.17 1vnd n TYR 62 Ca 0.39 -1.88 -0.39 0.00 1.88 0.00 0.00 57.90 57.91 1vnd n TYR 62 Cb 0.38 1.58 0.00 0.00 -0.38 0.00 0.00 39.34 40.92 1vnd n TYR 62 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1vnd n LYS 63 N -0.19 4.63 0.03 -3.48 5.02 -0.65 -4.94 118.16 118.58 1vnd n LYS 63 Ca -0.01 -4.66 0.02 0.00 -2.02 0.00 0.00 58.31 51.64 1vnd n LYS 63 Cb 0.78 -2.44 0.10 0.00 -0.02 0.00 0.00 35.03 33.46 1vnd n LYS 63 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1vnd n THR 64 N 0.43 1.50 0.00 -0.18 -1.04 -1.17 -4.49 114.28 109.33 1vnd n THR 64 Ca 0.37 0.55 0.00 0.00 -2.04 0.00 0.00 64.05 62.93 1vnd n THR 64 Cb 0.31 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 1vnd n THR 64 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vnd n LYS 65 N -1.58 0.00 0.00 -2.82 5.02 -1.26 -5.03 118.16 112.49 1vnd n LYS 65 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vnd n LYS 65 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1vnd n LYS 65 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1vnd n ARG 66 N 0.00 0.00 -3.67 1.97 1.85 -1.26 -5.01 116.66 110.54 1vnd n ARG 66 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 1vnd n ARG 66 Cb 0.00 -0.13 -0.10 0.00 -1.05 0.00 0.00 32.46 31.18 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vnd s ALA 67 N -1.00 3.59 -0.76 2.89 0.00 -1.26 -5.05 121.76 120.17 1vnd s ALA 67 Ca 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1vnd s ALA 67 Cb 0.00 -2.31 0.20 0.00 0.00 0.00 0.00 23.12 21.01 1vnd s ALA 67 CO 0.00 -0.21 0.65 -0.65 0.00 0.00 0.00 175.76 175.55 1vnd s GLN 68 N 1.09 3.20 -0.65 0.00 -0.21 -1.26 -4.90 119.66 116.93 1vnd s GLN 68 Ca 0.07 -2.54 0.02 0.00 0.02 0.00 0.00 55.36 52.94 1vnd s GLN 68 Cb -0.14 -4.15 0.38 0.00 1.00 0.00 0.00 33.01 30.10 1vnd s GLN 68 CO 0.05 -1.24 1.44 0.27 -2.12 0.00 0.00 175.29 173.68 1vnd n ASN 69 N 3.70 5.80 -4.62 5.90 6.94 -1.26 -4.96 115.26 126.76 1vnd n ASN 69 Ca 0.12 -3.75 -0.49 0.00 -0.02 0.00 0.00 54.58 50.44 1vnd n ASN 69 Cb 0.43 -0.73 -0.05 0.00 -2.36 0.00 0.00 39.78 37.07 1vnd n ASN 69 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1vnd n GLU 70 N -0.42 1.56 -3.27 -3.83 1.02 -1.26 -2.87 120.64 111.58 1vnd n GLU 70 Ca 0.43 0.56 -0.35 0.00 -0.02 0.00 0.00 57.16 57.78 1vnd n GLU 70 Cb 0.45 -2.25 -0.06 0.00 -0.02 0.00 0.00 31.44 29.56 1vnd n GLU 70 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1vnd s LYS 71 N 0.59 4.05 0.00 3.49 3.01 -1.26 -5.01 119.74 124.62 1vnd s LYS 71 Ca 0.81 0.60 0.00 0.00 -1.01 0.00 0.00 55.97 56.38 1vnd s LYS 71 Cb -0.84 -2.87 0.00 0.00 -1.01 0.00 0.00 37.83 33.12 1vnd s LYS 71 CO 0.44 0.42 0.00 0.41 0.51 0.00 0.00 175.35 177.13 1vnd n GLY 72 N 0.66 0.76 0.11 -3.33 0.00 -1.25 -4.48 105.19 97.66 1vnd n GLY 72 Ca -0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1vnd n GLY 72 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1vnd h TYR 73 N 0.00 -0.14 -1.21 1.61 -0.00 -1.85 -2.40 116.97 112.98 1vnd h TYR 73 Ca 0.00 -0.00 -0.69 0.00 0.00 0.00 0.00 58.73 58.04 1vnd h TYR 73 Cb 0.59 0.05 -0.15 0.00 0.00 0.00 0.00 36.73 37.22 1vnd h TYR 73 CO 0.00 0.30 1.83 -0.85 -0.00 0.00 0.00 178.16 179.43 1vnd n GLU 74 N -4.85 4.10 0.00 0.10 0.28 -1.26 -4.78 120.64 114.23 1vnd n GLU 74 Ca -0.07 -3.27 0.00 0.00 -0.16 0.00 0.00 57.16 53.67 1vnd n GLU 74 Cb 0.25 -2.50 0.00 0.00 1.43 0.00 0.00 31.44 30.62 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vnd n GLY 75 N 1.38 1.27 3.13 -1.84 0.00 -1.25 -5.12 105.19 102.75 1vnd n GLY 75 Ca 0.58 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 46.48 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 1.51 3.12 -2.00 1.61 2.46 -1.24 -5.08 115.29 115.68 1vnd s HIS 76 Ca 0.00 -1.94 0.27 0.00 0.47 0.00 0.00 55.06 53.87 1vnd s HIS 76 Cb 0.00 -1.98 1.63 0.00 -0.13 0.00 0.00 32.58 32.10 1vnd s HIS 76 CO 0.00 -0.82 1.98 -0.35 -2.47 0.00 0.00 174.74 173.08