#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 0.41 -3.57 0.00 7.64 -1.26 -3.49 113.62 113.35 1vnd n SER 2 Ca 0.00 -2.15 -0.00 0.00 1.01 0.00 0.00 58.87 57.73 1vnd n SER 2 Cb 0.00 -0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1vnd n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vnd s ASP 3 N -1.37 -1.13 0.00 6.43 2.15 -1.19 -4.75 116.67 116.81 1vnd s ASP 3 Ca 0.09 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.50 1vnd s ASP 3 Cb 0.09 2.24 0.00 0.00 -0.30 0.00 0.00 42.92 44.95 1vnd s ASP 3 CO -0.02 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 1vnd n GLY 4 N 5.41 -0.66 3.37 2.66 0.00 -1.12 -4.83 105.19 110.01 1vnd n GLY 4 Ca -0.11 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1vnd n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vnd s LEU 5 N 0.00 2.46 -0.52 0.99 1.43 -1.26 -4.61 118.68 117.17 1vnd s LEU 5 Ca 0.00 -0.89 -0.28 0.00 -1.03 0.00 0.00 54.13 51.93 1vnd s LEU 5 Cb 0.00 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.33 1vnd s LEU 5 CO 0.00 -0.00 1.10 -2.16 0.23 0.00 0.00 176.35 175.52 1vnd s PRO 6 N -2.91 3.58 0.19 1.29 0.04 -1.26 -3.74 135.00 132.19 1vnd s PRO 6 Ca 0.19 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1vnd s PRO 6 Cb -0.06 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1vnd s PRO 6 CO 0.08 -1.47 0.00 -1.71 0.04 0.00 0.00 177.00 173.95 1vnd n ASN 7 N 7.89 -0.24 -4.75 6.66 5.15 -1.26 -5.05 115.26 123.66 1vnd n ASN 7 Ca 0.09 0.32 -0.23 0.00 -0.60 0.00 0.00 54.58 54.16 1vnd n ASN 7 Cb 0.49 0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 40.05 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 -2.00 2.34 -0.58 1.20 1.02 -1.26 -5.05 119.74 115.41 1vnd s LYS 8 Ca 0.00 -1.63 0.01 0.00 0.02 0.00 0.00 55.97 54.38 1vnd s LYS 8 Cb 0.00 -2.14 0.43 0.00 -0.52 0.00 0.00 37.83 35.60 1vnd s LYS 8 CO 0.00 0.02 1.69 1.63 -0.92 0.00 0.00 175.35 177.77 1vnd n LYS 9 N -1.21 3.04 -1.00 1.68 5.02 -1.26 -3.20 118.16 121.23 1vnd n LYS 9 Ca -0.02 -3.73 0.04 0.00 -2.02 0.00 0.00 58.31 52.57 1vnd n LYS 9 Cb 0.62 -2.28 0.05 0.00 -0.02 0.00 0.00 35.03 33.40 1vnd n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vnd n ARG 10 N -0.72 0.30 0.00 1.97 5.12 -1.26 -4.79 116.66 117.27 1vnd n ARG 10 Ca 0.53 -1.93 0.00 0.00 -1.93 0.00 0.00 57.85 54.52 1vnd n ARG 10 Cb 0.64 -0.45 0.00 0.00 -1.16 0.00 0.00 32.46 31.49 1vnd n ARG 10 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1vnd n LYS 11 N 0.01 0.00 -0.81 5.56 4.81 -1.23 -4.00 118.16 122.51 1vnd n LYS 11 Ca 0.07 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.17 1vnd n LYS 11 Cb 0.93 -0.01 0.12 0.00 0.02 0.00 0.00 35.03 36.09 1vnd n LYS 11 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1vnd n ARG 12 N -1.43 -0.41 -2.98 1.64 0.00 -1.19 -2.81 116.66 109.48 1vnd n ARG 12 Ca 0.00 -0.09 -0.40 0.00 -0.00 0.00 0.00 57.85 57.36 1vnd n ARG 12 Cb 0.00 -1.72 -0.05 0.00 -0.00 0.00 0.00 32.46 30.69 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1vnd s ARG 13 N -3.40 4.47 -0.10 2.89 1.81 -1.26 -3.17 118.95 120.20 1vnd s ARG 13 Ca 0.54 1.01 -0.29 0.00 -1.72 0.00 0.00 55.73 55.27 1vnd s ARG 13 Cb -0.19 -3.42 -0.01 0.00 -0.45 0.00 0.00 34.95 30.87 1vnd s ARG 13 CO 0.69 0.11 0.98 0.14 -0.68 0.00 0.00 175.30 176.54 1vnd s VAL 14 N 0.58 4.81 -0.00 3.52 -7.23 -1.26 -4.85 120.40 115.96 1vnd s VAL 14 Ca 0.40 1.99 0.05 0.00 -1.81 0.00 0.00 61.98 62.60 1vnd s VAL 14 Cb -0.19 -4.29 -0.01 0.00 0.56 0.00 0.00 36.38 32.45 1vnd s VAL 14 CO 0.21 0.03 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.12 1vnd s LEU 15 N 1.89 2.05 -0.24 1.32 2.01 -1.26 -5.14 118.68 119.30 1vnd s LEU 15 Ca 0.47 -0.29 -0.07 0.00 0.01 0.00 0.00 54.13 54.25 1vnd s LEU 15 Cb -0.18 -0.73 -0.03 0.00 0.01 0.00 0.00 46.19 45.26 1vnd s LEU 15 CO 0.18 0.16 0.07 -0.36 1.01 0.00 0.00 176.35 177.41 1vnd s PHE 16 N -0.40 3.10 0.10 0.29 0.40 -1.26 -5.09 117.98 115.12 1vnd s PHE 16 Ca 0.05 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 1vnd s PHE 16 Cb -0.06 -2.22 0.01 0.00 0.51 0.00 0.00 43.02 41.25 1vnd s PHE 16 CO -0.00 -0.30 0.04 2.41 0.70 0.00 0.00 175.22 178.07 1vnd n THR 17 N 4.78 0.00 1.45 0.64 -1.04 -1.26 -4.96 114.28 113.88 1vnd n THR 17 Ca -0.16 -0.45 0.04 0.00 -2.04 0.00 0.00 64.05 61.45 1vnd n THR 17 Cb 0.52 -0.18 0.16 0.00 -1.82 0.00 0.00 70.33 69.01 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 -0.52 1.42 -0.05 -2.82 -0.00 -1.26 -2.57 118.16 112.36 1vnd n LYS 18 Ca -0.02 -0.65 -0.19 0.00 -0.00 0.00 0.00 58.31 57.44 1vnd n LYS 18 Cb 0.12 -1.19 -0.13 0.00 -0.00 0.00 0.00 35.03 33.84 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 3.45 0.14 0.07 0.58 0.00 -1.99 -3.38 119.26 118.13 1vnd h ALA 19 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 54.91 53.97 1vnd h ALA 19 Cb 0.25 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1vnd h ALA 19 CO 0.00 0.53 -0.04 1.96 0.00 0.00 0.00 179.25 181.70 1vnd h GLN 20 N -0.72 -0.10 -0.26 0.00 1.08 -1.86 -3.03 115.11 110.22 1vnd h GLN 20 Ca -0.22 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 56.87 1vnd h GLN 20 Cb 1.40 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.84 1vnd h GLN 20 CO -0.04 0.43 -0.30 1.79 -0.95 0.00 0.00 178.83 179.76 1vnd h THR 21 N -0.71 1.28 0.33 -0.54 1.35 -1.79 -3.02 112.91 109.81 1vnd h THR 21 Ca -0.01 -1.39 -0.02 0.00 -0.55 0.00 0.00 66.41 64.45 1vnd h THR 21 Cb 0.57 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1vnd h THR 21 CO 0.02 0.44 -0.16 0.22 -0.25 0.00 0.00 175.52 175.79 1vnd h TYR 22 N 0.47 -0.41 -0.51 4.73 3.20 -1.74 -2.97 116.97 119.72 1vnd h TYR 22 Ca 0.06 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 1vnd h TYR 22 Cb 0.76 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1vnd h TYR 22 CO 0.03 -0.16 -0.15 0.93 -1.64 0.00 0.00 178.16 177.17 1vnd h GLU 23 N -0.60 1.00 -0.32 1.82 4.39 -1.59 -2.93 114.58 116.36 1vnd h GLU 23 Ca -0.05 -0.40 -0.10 0.00 0.34 0.00 0.00 59.36 59.16 1vnd h GLU 23 Cb 0.44 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1vnd h GLU 23 CO 0.07 1.08 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.73 1vnd h LEU 24 N 0.87 0.60 -0.23 1.33 3.38 -1.62 -3.00 115.31 116.64 1vnd h LEU 24 Ca 0.13 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1vnd h LEU 24 Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1vnd h LEU 24 CO 0.06 0.80 -0.48 -0.33 0.09 0.00 0.00 178.44 178.58 1vnd h GLU 25 N 0.54 0.00 0.01 1.13 4.39 -1.56 -2.54 114.58 116.55 1vnd h GLU 25 Ca 0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1vnd h GLU 25 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1vnd h GLU 25 CO 0.05 0.48 -0.01 0.00 -1.16 0.00 0.00 179.01 178.38 1vnd h ARG 26 N 0.00 -0.01 -0.11 2.33 2.47 -1.47 -3.05 114.38 114.54 1vnd h ARG 26 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1vnd h ARG 26 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1vnd h ARG 26 CO 0.06 0.39 0.00 2.89 0.56 0.00 0.00 179.97 183.87 1vnd n ARG 27 N -4.90 1.37 0.01 0.04 0.00 -1.14 -2.51 116.66 109.53 1vnd n ARG 27 Ca -0.08 -0.56 -0.11 0.00 -0.00 0.00 0.00 57.85 57.09 1vnd n ARG 27 Cb 0.21 -1.27 -0.14 0.00 -0.00 0.00 0.00 32.46 31.26 1vnd n ARG 27 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1vnd h PHE 28 N 1.06 0.12 0.20 2.89 3.57 -1.48 -3.35 116.94 119.95 1vnd h PHE 28 Ca 0.00 -0.09 -0.29 0.00 3.53 0.00 0.00 57.97 61.12 1vnd h PHE 28 Cb 0.24 -0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.99 1vnd h PHE 28 CO 0.07 1.14 -1.35 0.00 -2.23 0.00 0.00 178.31 175.95 1vnd h ARG 29 N 0.02 0.42 0.00 1.11 2.47 -1.39 -3.40 114.38 113.61 1vnd h ARG 29 Ca -0.25 -0.71 -0.09 0.00 -1.26 0.00 0.00 59.98 57.68 1vnd h ARG 29 Cb 1.98 0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 30.54 1vnd h ARG 29 CO 0.10 1.34 -1.28 0.94 0.56 0.00 0.00 179.97 181.63 1vnd n GLN 30 N -3.83 0.62 -3.73 0.04 -0.06 -1.04 -4.79 117.38 104.59 1vnd n GLN 30 Ca -0.19 0.15 -0.11 0.00 -2.00 0.00 0.00 57.00 54.85 1vnd n GLN 30 Cb 1.00 -1.79 -0.06 0.00 -4.06 0.00 0.00 30.24 25.32 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 -3.15 0.89 -0.18 3.69 -2.07 -1.26 -5.08 119.66 112.51 1vnd s GLN 31 Ca -0.02 -0.60 0.04 0.00 -1.82 0.00 0.00 55.36 52.96 1vnd s GLN 31 Cb 0.09 0.39 -0.14 0.00 -1.09 0.00 0.00 33.01 32.27 1vnd s GLN 31 CO 0.81 -0.31 -0.12 0.54 -1.32 0.00 0.00 175.29 174.89 1vnd n ARG 32 N 0.28 0.69 0.00 9.60 1.74 -1.26 -3.98 116.66 123.72 1vnd n ARG 32 Ca -0.17 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1vnd n ARG 32 Cb 0.61 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1vnd n ARG 32 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1vnd n TYR 33 N -2.95 0.00 -4.28 -1.55 4.19 -1.26 -5.01 117.16 106.29 1vnd n TYR 33 Ca -0.32 0.00 -0.16 0.00 3.31 0.00 0.00 57.90 60.73 1vnd n TYR 33 Cb 0.88 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 40.61 1vnd n TYR 33 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1vnd s LEU 34 N -0.57 2.53 0.55 2.98 2.01 -1.26 -5.09 118.68 119.83 1vnd s LEU 34 Ca 0.00 -1.00 -0.17 0.00 0.01 0.00 0.00 54.13 52.97 1vnd s LEU 34 Cb 0.00 -0.48 -0.05 0.00 0.01 0.00 0.00 46.19 45.66 1vnd s LEU 34 CO 0.00 -0.26 1.05 -0.94 1.01 0.00 0.00 176.35 177.21 1vnd s SER 35 N -3.16 6.01 0.29 2.29 1.04 -1.26 -4.81 113.70 114.10 1vnd s SER 35 Ca 0.18 1.85 -0.02 0.00 0.48 0.00 0.00 55.95 58.44 1vnd s SER 35 Cb 0.01 -2.54 0.41 0.00 0.10 0.00 0.00 66.02 64.00 1vnd s SER 35 CO 0.03 -1.01 1.89 0.00 0.98 0.00 0.00 173.24 175.13 1vnd h ALA 36 N 0.84 1.29 0.00 5.32 0.00 -2.01 -1.68 119.26 123.03 1vnd h ALA 36 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1vnd h ALA 36 Cb 1.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1vnd h ALA 36 CO 0.58 0.54 0.00 -1.35 0.00 0.00 0.00 179.25 179.03 1vnd h PRO 37 N 0.95 0.00 0.00 0.00 0.11 -2.00 -3.02 132.00 128.04 1vnd h PRO 37 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1vnd h PRO 37 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1vnd h PRO 37 CO -0.03 0.00 -1.16 -0.85 -0.21 0.00 0.00 178.00 175.75 1vnd n GLU 38 N -2.75 1.36 0.01 1.05 0.28 -1.07 -4.15 120.64 115.35 1vnd n GLU 38 Ca 0.01 -0.07 -0.18 0.00 -0.16 0.00 0.00 57.16 56.76 1vnd n GLU 38 Cb 0.24 -1.27 -0.14 0.00 1.43 0.00 0.00 31.44 31.70 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 0.20 0.00 3.44 2.43 -1.27 -3.06 114.38 116.12 1vnd h ARG 39 Ca 0.00 -0.33 -0.16 0.00 -0.81 0.00 0.00 59.98 58.68 1vnd h ARG 39 Cb 0.51 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1vnd h ARG 39 CO 0.00 1.15 -0.74 0.93 -1.51 0.00 0.00 179.97 179.80 1vnd h GLU 40 N -0.57 0.00 0.00 0.20 4.39 -1.80 -3.06 114.58 113.74 1vnd h GLU 40 Ca -0.09 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.47 1vnd h GLU 40 Cb 1.40 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 1vnd h GLU 40 CO 0.10 0.74 -0.87 1.25 -1.16 0.00 0.00 179.01 179.07 1vnd h HIS 41 N 0.00 0.00 -0.23 4.33 2.76 -1.73 -2.73 115.15 117.55 1vnd h HIS 41 Ca -0.01 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.03 1vnd h HIS 41 Cb 1.54 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.49 1vnd h HIS 41 CO 0.00 0.58 -0.40 1.25 -1.30 0.00 0.00 177.93 178.05 1vnd h LEU 42 N 0.00 0.58 -0.68 0.26 7.12 -1.57 -1.91 115.31 119.10 1vnd h LEU 42 Ca -0.06 -0.25 -0.13 0.00 0.13 0.00 0.00 57.88 57.57 1vnd h LEU 42 Cb 1.49 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 41.44 1vnd h LEU 42 CO 0.06 0.92 -0.61 0.00 -0.13 0.00 0.00 178.44 178.68 1vnd h ALA 43 N 1.11 0.90 0.01 1.25 0.00 -1.50 -2.54 119.26 118.49 1vnd h ALA 43 Ca 0.04 -0.55 -0.26 0.00 0.00 0.00 0.00 54.91 54.14 1vnd h ALA 43 Cb 0.90 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1vnd h ALA 43 CO 0.08 0.76 -1.38 0.77 0.00 0.00 0.00 179.25 179.48 1vnd h SER 44 N 0.00 0.04 0.54 0.00 0.02 -1.51 -0.03 113.55 112.61 1vnd h SER 44 Ca -0.01 -0.05 -0.25 0.00 -0.84 0.00 0.00 61.79 60.64 1vnd h SER 44 Cb 1.14 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1vnd h SER 44 CO 0.08 1.04 -1.10 0.25 -1.14 0.00 0.00 176.83 175.96 1vnd h LEU 45 N 0.01 0.43 0.00 5.07 7.12 -1.38 -3.34 115.31 123.21 1vnd h LEU 45 Ca -0.16 -0.41 -0.05 0.00 0.13 0.00 0.00 57.88 57.39 1vnd h LEU 45 Cb 1.90 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.89 1vnd h LEU 45 CO 0.11 1.27 -2.02 2.30 -0.13 0.00 0.00 178.44 179.97 1vnd n ILE 46 N -3.61 0.18 -1.04 4.05 -5.35 -0.96 -5.05 119.36 107.58 1vnd n ILE 46 Ca -0.07 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1vnd n ILE 46 Cb 0.94 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 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 -2.30 0.00 -0.72 6.28 3.00 -1.06 -4.95 116.66 116.91 1vnd n ARG 47 Ca -0.08 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1vnd n ARG 47 Cb 0.63 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 32.05 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 -0.83 0.00 -4.79 6.15 4.77 -0.05 -4.61 117.00 117.65 1vnd n LEU 48 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1vnd n LEU 48 Cb 0.35 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1vnd n LEU 48 CO 0.00 0.00 -0.25 0.42 -1.33 0.00 0.00 177.39 176.23 1vnd s THR 49 N -0.91 4.64 0.66 -5.08 -4.23 -1.26 -4.63 115.64 104.83 1vnd s THR 49 Ca 0.00 -0.63 0.44 0.00 -1.18 0.00 0.00 61.69 60.32 1vnd s THR 49 Cb 0.00 -3.20 0.45 0.00 1.34 0.00 0.00 72.50 71.08 1vnd s THR 49 CO 0.00 0.20 2.37 -0.65 -0.54 0.00 0.00 174.62 176.00 1vnd h PRO 50 N 3.54 0.00 0.00 3.99 0.11 -1.94 -3.04 132.00 134.66 1vnd h PRO 50 Ca -0.47 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.37 1vnd h PRO 50 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1vnd h PRO 50 CO 0.65 0.00 -1.49 0.00 -0.21 0.00 0.00 178.00 176.95 1vnd h THR 51 N 0.00 1.11 0.02 -1.15 1.03 -1.99 -3.00 112.91 108.93 1vnd h THR 51 Ca -0.00 -2.92 -0.25 0.00 -0.01 0.00 0.00 66.41 63.22 1vnd h THR 51 Cb 0.01 2.55 -0.03 0.00 -1.07 0.00 0.00 68.15 69.60 1vnd h THR 51 CO 0.00 0.63 -1.33 0.06 -0.01 0.00 0.00 175.52 174.87 1vnd h GLN 52 N 0.00 0.03 -0.52 0.00 3.07 -1.97 -2.97 115.11 112.75 1vnd h GLN 52 Ca -0.20 -0.06 -0.11 0.00 0.09 0.00 0.00 58.65 58.37 1vnd h GLN 52 Cb 1.94 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 29.50 1vnd h GLN 52 CO 0.09 0.83 -0.11 -0.24 0.09 0.00 0.00 178.83 179.49 1vnd h VAL 53 N 0.01 1.27 -0.17 1.86 3.04 -1.68 -2.44 116.25 118.13 1vnd h VAL 53 Ca -0.14 -1.26 0.05 0.00 -1.01 0.00 0.00 66.70 64.34 1vnd h VAL 53 Cb 1.89 0.98 -0.06 0.00 -2.01 0.00 0.00 31.29 32.10 1vnd h VAL 53 CO 0.12 0.44 -0.23 0.50 -1.01 0.00 0.00 177.57 177.39 1vnd h LYS 54 N 0.88 -0.26 -0.00 4.17 3.11 -1.60 -2.97 116.57 119.90 1vnd h LYS 54 Ca 0.14 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1vnd h LYS 54 Cb 0.67 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1vnd h LYS 54 CO 0.05 -0.17 -0.14 -0.89 -2.81 0.00 0.00 179.45 175.49 1vnd n ILE 55 N -5.36 0.00 -0.00 2.00 5.41 -1.12 -2.36 119.36 117.92 1vnd n ILE 55 Ca -0.02 -0.06 -0.18 0.00 1.00 0.00 0.00 62.75 63.50 1vnd n ILE 55 Cb 0.28 -0.07 -0.10 0.00 -0.71 0.00 0.00 39.64 39.04 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 0.54 0.81 0.00 1.39 7.01 -1.37 -3.11 115.95 121.21 1vnd h TRP 56 Ca 0.00 -0.40 0.00 0.00 2.11 0.00 0.00 58.89 60.60 1vnd h TRP 56 Cb 0.39 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 1vnd h TRP 56 CO 0.00 1.21 -0.24 1.19 -2.79 0.00 0.00 178.44 177.81 1vnd n PHE 57 N -4.10 0.23 0.10 2.65 3.01 -1.13 -2.07 117.46 116.14 1vnd n PHE 57 Ca -0.09 0.07 -0.16 0.00 1.01 0.00 0.00 57.45 58.27 1vnd n PHE 57 Cb 0.71 -0.52 -0.14 0.00 -0.01 0.00 0.00 39.48 39.52 1vnd n PHE 57 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1vnd h GLN 58 N 0.00 0.28 0.10 -1.08 4.15 -1.59 -3.41 115.11 113.57 1vnd h GLN 58 Ca 0.00 -0.48 -0.32 0.00 0.77 0.00 0.00 58.65 58.62 1vnd h GLN 58 Cb 0.57 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 1vnd h GLN 58 CO 0.00 1.21 -1.71 -0.91 -1.93 0.00 0.00 178.83 175.49 1vnd h ASN 59 N 0.08 0.34 0.71 -0.69 2.35 -1.53 -3.40 115.58 113.44 1vnd h ASN 59 Ca -0.16 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 54.75 1vnd h ASN 59 Cb 1.99 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.25 1vnd h ASN 59 CO 0.20 1.73 0.00 -0.74 -1.65 0.00 0.00 177.43 176.97 1vnd h HIS 60 N -0.22 0.00 -0.71 1.19 2.76 -1.64 -3.38 115.15 113.15 1vnd h HIS 60 Ca -0.38 0.00 -0.72 0.00 -2.20 0.00 0.00 60.37 57.07 1vnd h HIS 60 Cb 1.83 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 30.72 1vnd h HIS 60 CO 0.09 0.00 2.81 2.89 -1.30 0.00 0.00 177.93 182.43 1vnd n ARG 61 N -2.85 3.80 0.00 5.26 1.85 -1.26 -4.69 116.66 118.78 1vnd n ARG 61 Ca 0.00 -3.01 0.00 0.00 -1.00 0.00 0.00 57.85 53.85 1vnd n ARG 61 Cb 0.23 -2.87 0.00 0.00 -1.05 0.00 0.00 32.46 28.77 1vnd n ARG 61 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1vnd n TYR 62 N 3.54 0.00 0.00 2.89 9.36 -1.26 -3.97 117.16 127.71 1vnd n TYR 62 Ca 0.59 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.81 1vnd n TYR 62 Cb 0.30 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 1vnd n TYR 62 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1vnd n LYS 63 N 0.00 0.00 -2.24 2.98 2.85 -1.26 -4.32 118.16 116.17 1vnd n LYS 63 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1vnd n LYS 63 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vnd n LYS 63 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1vnd n THR 64 N 0.00 3.79 -0.41 0.58 -2.24 -1.26 -4.87 114.28 109.87 1vnd n THR 64 Ca 0.00 -3.72 0.00 0.00 -2.27 0.00 0.00 64.05 58.06 1vnd n THR 64 Cb 0.00 -2.46 0.00 0.00 -2.10 0.00 0.00 70.33 65.77 1vnd n THR 64 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1vnd n LYS 65 N 7.00 0.00 0.00 -0.78 2.85 -1.26 -2.82 118.16 123.14 1vnd n LYS 65 Ca 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.75 1vnd n LYS 65 Cb 0.42 -0.48 0.00 0.00 -0.65 0.00 0.00 35.03 34.33 1vnd n LYS 65 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1vnd n ARG 66 N 1.53 0.00 -3.23 -1.58 1.85 -1.26 -4.97 116.66 109.00 1vnd n ARG 66 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.40 1vnd n ARG 66 Cb 0.08 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.44 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 -0.76 3.48 -0.57 2.89 0.00 -1.13 -5.03 121.76 120.65 1vnd s ALA 67 Ca 0.00 -2.11 -0.13 0.00 0.00 0.00 0.00 51.96 49.73 1vnd s ALA 67 Cb 0.00 -3.32 0.14 0.00 0.00 0.00 0.00 23.12 19.94 1vnd s ALA 67 CO 0.00 -2.04 0.49 -0.65 0.00 0.00 0.00 175.76 173.55 1vnd s GLN 68 N 2.23 2.88 -0.41 0.00 -0.21 -1.26 -4.48 119.66 118.42 1vnd s GLN 68 Ca 0.09 -1.89 0.08 0.00 0.02 0.00 0.00 55.36 53.66 1vnd s GLN 68 Cb -0.24 -4.16 0.25 0.00 1.00 0.00 0.00 33.01 29.86 1vnd s GLN 68 CO 0.07 -1.27 0.60 -1.71 -2.12 0.00 0.00 175.29 170.87 1vnd n ASN 69 N 4.84 -0.51 -0.29 5.90 5.15 -1.26 -5.09 115.26 124.00 1vnd n ASN 69 Ca -0.06 -2.83 0.10 0.00 -0.60 0.00 0.00 54.58 51.19 1vnd n ASN 69 Cb 0.41 -0.09 0.26 0.00 -0.53 0.00 0.00 39.78 39.83 1vnd n ASN 69 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1vnd h GLU 70 N 4.00 0.34 -5.21 1.20 9.09 -1.99 -3.28 114.58 118.72 1vnd h GLU 70 Ca 0.02 -0.02 -0.66 0.00 0.05 0.00 0.00 59.36 58.75 1vnd h GLU 70 Cb 0.91 -0.08 -0.29 0.00 -1.65 0.00 0.00 28.75 27.65 1vnd h GLU 70 CO 0.43 0.22 -0.79 0.15 0.05 0.00 0.00 179.01 179.08 1vnd s LYS 71 N -5.95 3.27 0.00 1.06 1.02 -1.26 -4.65 119.74 113.23 1vnd s LYS 71 Ca -0.12 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1vnd s LYS 71 Cb 0.24 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1vnd s LYS 71 CO 0.77 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.66 1vnd n GLY 72 N 3.98 3.66 0.05 -3.33 0.00 -1.26 -4.93 105.19 103.37 1vnd n GLY 72 Ca -0.19 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 0.42 -1.57 1.61 9.36 -1.24 -3.74 117.16 122.00 1vnd n TYR 73 Ca 0.00 0.14 -0.36 0.00 3.32 0.00 0.00 57.90 61.00 1vnd n TYR 73 Cb 0.00 -0.72 -0.04 0.00 -0.63 0.00 0.00 39.34 37.95 1vnd n TYR 73 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1vnd n GLU 74 N -1.86 3.80 0.00 2.98 1.02 -1.26 -4.47 120.64 120.84 1vnd n GLU 74 Ca 0.05 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 1vnd n GLU 74 Cb 0.31 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vnd n GLY 75 N 2.50 -1.10 2.73 0.62 0.00 -1.26 -4.94 105.19 103.75 1vnd n GLY 75 Ca 0.66 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.80 1vnd n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vnd s HIS 76 N 0.00 1.48 -2.00 1.61 3.76 -1.26 -4.90 115.29 113.98 1vnd s HIS 76 Ca 0.00 -1.46 0.22 0.00 -0.15 0.00 0.00 55.06 53.67 1vnd s HIS 76 Cb 0.00 -1.48 1.31 0.00 1.11 0.00 0.00 32.58 33.52 1vnd s HIS 76 CO 0.00 -0.80 1.69 -0.35 -0.85 0.00 0.00 174.74 174.43