#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 0.21 -3.66 0.00 2.88 -1.26 -5.07 113.62 106.73 1vnd n SER 2 Ca 0.00 -1.86 -0.14 0.00 -1.33 0.00 0.00 58.87 55.53 1vnd n SER 2 Cb 0.00 -0.16 -0.08 0.00 -0.75 0.00 0.00 64.21 63.22 1vnd n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1vnd s ASP 3 N -1.16 -0.58 0.00 -3.46 2.15 -1.26 -5.15 116.67 107.20 1vnd s ASP 3 Ca 0.10 1.01 0.00 0.00 0.43 0.00 0.00 52.55 54.09 1vnd s ASP 3 Cb 0.12 1.02 0.00 0.00 -0.30 0.00 0.00 42.92 43.75 1vnd s ASP 3 CO -0.05 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 1vnd n GLY 4 N 2.35 2.10 2.53 2.66 0.00 -1.26 -5.11 105.19 108.47 1vnd n GLY 4 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.67 -4.45 0.99 -0.00 -1.26 -5.08 117.00 105.52 1vnd n LEU 5 Ca 0.00 -3.80 -0.44 0.00 -0.00 0.00 0.00 56.01 51.77 1vnd n LEU 5 Cb 0.00 0.64 -0.01 0.00 -0.00 0.00 0.00 43.42 44.05 1vnd n LEU 5 CO 0.00 1.90 1.26 -2.16 -0.00 0.00 0.00 177.39 178.39 1vnd s PRO 6 N 0.35 3.98 0.09 1.47 0.04 -1.26 -5.00 135.00 134.67 1vnd s PRO 6 Ca 0.32 -2.42 0.03 0.00 0.04 0.00 0.00 61.00 58.97 1vnd s PRO 6 Cb 0.03 -5.00 -0.04 0.00 0.04 0.00 0.00 34.50 29.53 1vnd s PRO 6 CO -0.14 -1.74 0.08 0.54 0.04 0.00 0.00 177.00 175.78 1vnd s ASN 7 N 2.94 5.52 -0.83 6.66 4.22 -1.26 -5.05 114.94 127.14 1vnd s ASN 7 Ca 0.40 -0.02 0.01 0.00 -2.14 0.00 0.00 52.86 51.10 1vnd s ASN 7 Cb -0.04 -1.48 0.34 0.00 1.28 0.00 0.00 41.25 41.35 1vnd s ASN 7 CO -0.03 0.16 1.58 0.29 -2.04 0.00 0.00 177.10 177.07 1vnd n LYS 8 N 0.39 4.26 0.00 3.55 4.01 -1.26 -4.32 118.16 124.79 1vnd n LYS 8 Ca -0.09 -4.51 0.00 0.00 -0.51 0.00 0.00 58.31 53.21 1vnd n LYS 8 Cb 0.52 -2.36 0.00 0.00 -0.51 0.00 0.00 35.03 32.68 1vnd n LYS 8 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1vnd n LYS 9 N -0.23 3.74 -0.09 1.97 5.02 -1.26 -4.56 118.16 122.76 1vnd n LYS 9 Ca 0.43 -0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 56.53 1vnd n LYS 9 Cb 0.32 -0.54 -0.16 0.00 -0.02 0.00 0.00 35.03 34.63 1vnd n LYS 9 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1vnd n ARG 10 N -0.57 0.68 0.00 1.97 1.85 -1.26 -4.93 116.66 114.41 1vnd n ARG 10 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1vnd n ARG 10 Cb 0.01 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 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 -2.72 0.00 -3.41 2.89 5.02 -1.26 -4.86 118.16 113.82 1vnd n LYS 11 Ca -0.29 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.71 1vnd n LYS 11 Cb 1.09 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 36.13 1vnd n LYS 11 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1vnd n ARG 12 N 0.00 -1.56 -3.43 1.97 1.85 -1.26 -4.64 116.66 109.59 1vnd n ARG 12 Ca 0.00 1.30 -0.21 0.00 -1.00 0.00 0.00 57.85 57.94 1vnd n ARG 12 Cb 0.00 -1.91 -0.00 0.00 -1.05 0.00 0.00 32.46 29.50 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1vnd s ARG 13 N -2.10 2.48 -0.01 2.89 1.81 -1.26 -4.88 118.95 117.88 1vnd s ARG 13 Ca 0.29 -1.61 -0.01 0.00 -1.72 0.00 0.00 55.73 52.68 1vnd s ARG 13 Cb -0.03 -2.44 0.01 0.00 -0.45 0.00 0.00 34.95 32.04 1vnd s ARG 13 CO 0.66 -0.42 0.03 0.14 -0.68 0.00 0.00 175.30 175.03 1vnd s VAL 14 N -2.55 -0.01 -0.02 3.52 -7.23 -1.26 -5.12 120.40 107.73 1vnd s VAL 14 Ca 0.49 0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 1vnd s VAL 14 Cb -0.05 -0.05 0.00 0.00 0.56 0.00 0.00 36.38 36.85 1vnd s VAL 14 CO 0.30 0.01 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.26 1vnd s LEU 15 N 0.14 1.81 -0.58 1.32 2.01 -1.26 -5.10 118.68 117.02 1vnd s LEU 15 Ca -0.01 -0.14 -0.09 0.00 0.01 0.00 0.00 54.13 53.89 1vnd s LEU 15 Cb -0.02 -0.43 0.15 0.00 0.01 0.00 0.00 46.19 45.90 1vnd s LEU 15 CO -0.00 0.05 0.46 -0.36 1.01 0.00 0.00 176.35 177.51 1vnd s PHE 16 N 0.15 3.48 0.00 0.29 0.08 -1.26 -4.95 117.98 115.77 1vnd s PHE 16 Ca -0.02 -2.04 0.00 0.00 0.12 0.00 0.00 56.93 55.00 1vnd s PHE 16 Cb -0.07 -3.52 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 1vnd s PHE 16 CO 0.00 -0.96 0.00 2.41 -0.10 0.00 0.00 175.22 176.57 1vnd n THR 17 N 4.46 0.00 0.69 0.64 -1.04 -1.26 -5.02 114.28 112.76 1vnd n THR 17 Ca -0.01 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.12 1vnd n THR 17 Cb 0.41 -0.18 0.47 0.00 -1.82 0.00 0.00 70.33 69.21 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 -0.12 0.08 0.12 -2.82 -0.00 -1.26 -2.86 118.16 111.29 1vnd n LYS 18 Ca 0.00 0.18 -0.19 0.00 -0.00 0.00 0.00 58.31 58.29 1vnd n LYS 18 Cb 0.00 -1.62 -0.14 0.00 -0.00 0.00 0.00 35.03 33.27 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 2.65 0.02 -0.01 0.58 0.00 -1.99 -3.24 119.26 117.27 1vnd h ALA 19 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 54.91 53.89 1vnd h ALA 19 Cb 0.46 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1vnd h ALA 19 CO 0.00 0.84 -0.65 1.96 0.00 0.00 0.00 179.25 181.41 1vnd h GLN 20 N 0.13 0.46 -0.05 0.00 1.08 -1.89 -3.02 115.11 111.82 1vnd h GLN 20 Ca -0.18 -0.48 -0.16 0.00 -1.45 0.00 0.00 58.65 56.38 1vnd h GLN 20 Cb 2.01 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 29.56 1vnd h GLN 20 CO 0.23 1.13 -0.70 1.79 -0.95 0.00 0.00 178.83 180.33 1vnd h THR 21 N -0.01 1.42 0.03 -0.54 1.35 -1.72 -2.98 112.91 110.45 1vnd h THR 21 Ca -0.08 -2.18 -0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1vnd h THR 21 Cb 1.34 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1vnd h THR 21 CO 0.13 0.64 -0.01 0.22 -0.25 0.00 0.00 175.52 176.25 1vnd h TYR 22 N 0.17 -0.04 -0.08 4.73 3.20 -1.63 -3.03 116.97 120.29 1vnd h TYR 22 Ca -0.02 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.66 1vnd h TYR 22 Cb 1.24 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.52 1vnd h TYR 22 CO 0.03 0.18 -0.75 0.93 -1.64 0.00 0.00 178.16 176.90 1vnd h GLU 23 N -0.25 0.45 -0.26 1.82 4.39 -1.60 -2.82 114.58 116.31 1vnd h GLU 23 Ca -0.00 -0.37 -0.13 0.00 0.34 0.00 0.00 59.36 59.19 1vnd h GLU 23 Cb 0.23 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1vnd h GLU 23 CO 0.01 1.01 -0.34 -0.07 -1.16 0.00 0.00 179.01 178.46 1vnd h LEU 24 N 0.30 0.75 -0.91 1.33 3.38 -1.63 -2.94 115.31 115.59 1vnd h LEU 24 Ca -0.04 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.33 1vnd h LEU 24 Cb 1.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1vnd h LEU 24 CO 0.13 1.10 -0.36 -0.33 0.09 0.00 0.00 178.44 179.07 1vnd h GLU 25 N 0.41 0.35 0.00 1.13 5.08 -1.64 -2.81 114.58 117.10 1vnd h GLU 25 Ca 0.03 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 1vnd h GLU 25 Cb 0.92 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1vnd h GLU 25 CO 0.08 0.67 -0.65 0.07 -1.00 0.00 0.00 179.01 178.18 1vnd h ARG 26 N 0.30 0.00 0.01 2.33 0.11 -1.52 -2.44 114.38 113.18 1vnd h ARG 26 Ca 0.03 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.91 1vnd h ARG 26 Cb 0.78 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.84 1vnd h ARG 26 CO 0.06 0.65 -0.94 0.00 0.10 0.00 0.00 179.97 179.84 1vnd h ARG 27 N 0.00 0.07 0.00 0.08 2.47 -1.62 -3.37 114.38 112.00 1vnd h ARG 27 Ca -0.01 -0.09 -0.06 0.00 -1.26 0.00 0.00 59.98 58.56 1vnd h ARG 27 Cb 1.43 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.77 1vnd h ARG 27 CO 0.08 0.96 -0.29 0.35 0.56 0.00 0.00 179.97 181.63 1vnd h PHE 28 N 0.03 0.00 0.17 3.04 3.57 -1.32 -2.38 116.94 120.05 1vnd h PHE 28 Ca -0.03 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.17 1vnd h PHE 28 Cb 1.64 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.40 1vnd h PHE 28 CO 0.01 0.29 -1.32 0.00 -2.23 0.00 0.00 178.31 175.06 1vnd h ARG 29 N 0.00 0.46 0.00 1.11 2.47 -1.60 -3.37 114.38 113.45 1vnd h ARG 29 Ca -0.00 -0.73 -0.15 0.00 -1.26 0.00 0.00 59.98 57.84 1vnd h ARG 29 Cb 0.76 0.26 -0.03 0.00 -1.65 0.00 0.00 29.97 29.31 1vnd h ARG 29 CO 0.04 1.34 -1.45 0.94 0.56 0.00 0.00 179.97 181.39 1vnd n GLN 30 N -3.67 0.62 -3.49 0.04 -0.06 -1.23 -4.99 117.38 104.60 1vnd n GLN 30 Ca -0.13 0.18 -0.15 0.00 -2.00 0.00 0.00 57.00 54.90 1vnd n GLN 30 Cb 1.04 -1.78 -0.04 0.00 -4.06 0.00 0.00 30.24 25.39 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 -2.98 1.14 -0.17 3.69 -2.07 -0.90 -5.07 119.66 113.30 1vnd s GLN 31 Ca -0.03 -0.05 0.07 0.00 -1.82 0.00 0.00 55.36 53.52 1vnd s GLN 31 Cb 0.09 0.53 -0.15 0.00 -1.09 0.00 0.00 33.01 32.39 1vnd s GLN 31 CO 0.81 -0.42 -0.07 0.54 -1.32 0.00 0.00 175.29 174.83 1vnd n ARG 32 N 0.39 0.94 -5.06 9.60 1.74 -1.26 -3.88 116.66 119.13 1vnd n ARG 32 Ca -0.18 0.06 -0.32 0.00 -0.77 0.00 0.00 57.85 56.64 1vnd n ARG 32 Cb 0.60 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.38 2.57 -0.18 -1.55 1.51 -1.26 -5.03 117.35 111.03 1vnd s TYR 33 Ca -0.18 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.43 1vnd s TYR 33 Cb 0.06 -1.62 0.09 0.00 -0.11 0.00 0.00 41.96 40.38 1vnd s TYR 33 CO 0.52 -0.00 0.30 -0.48 -1.11 0.00 0.00 175.55 174.78 1vnd s LEU 34 N -0.45 -0.39 0.61 -1.29 -0.00 -1.26 -5.17 118.68 110.74 1vnd s LEU 34 Ca 0.05 0.44 0.05 0.00 -0.00 0.00 0.00 54.13 54.67 1vnd s LEU 34 Cb -0.12 0.83 0.09 0.00 -0.00 0.00 0.00 46.19 46.99 1vnd s LEU 34 CO 0.01 -0.27 0.85 -0.55 -0.00 0.00 0.00 176.35 176.40 1vnd s SER 35 N 2.46 4.87 0.00 1.48 0.15 -1.26 -4.68 113.70 116.72 1vnd s SER 35 Ca 0.04 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1vnd s SER 35 Cb -0.13 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1vnd s SER 35 CO -0.11 -1.48 0.00 0.00 1.20 0.00 0.00 173.24 172.85 1vnd n ALA 36 N -2.44 0.00 -0.00 5.45 0.00 -1.26 -1.76 120.51 120.50 1vnd n ALA 36 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.40 1vnd n ALA 36 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 1vnd n ALA 36 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1vnd h PRO 37 N 0.00 0.75 0.00 0.00 0.13 -2.00 -2.96 132.00 127.92 1vnd h PRO 37 Ca 0.00 -0.67 -0.11 0.00 -0.87 0.00 0.00 66.00 64.35 1vnd h PRO 37 Cb 0.00 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1vnd h PRO 37 CO 0.00 1.27 -0.60 1.05 -0.23 0.00 0.00 178.00 179.49 1vnd h GLU 38 N 0.46 0.00 0.16 0.86 4.11 -1.97 -3.29 114.58 114.91 1vnd h GLU 38 Ca -0.08 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.04 1vnd h GLU 38 Cb 1.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.74 1vnd h GLU 38 CO 0.17 0.47 -1.48 0.07 0.07 0.00 0.00 179.01 178.32 1vnd h ARG 39 N 0.00 0.34 0.00 1.06 0.11 -1.19 -3.07 114.38 111.64 1vnd h ARG 39 Ca -0.02 -0.59 0.00 0.00 0.10 0.00 0.00 59.98 59.47 1vnd h ARG 39 Cb 1.40 0.22 0.00 0.00 1.11 0.00 0.00 29.97 32.70 1vnd h ARG 39 CO 0.06 1.25 -0.49 0.93 0.10 0.00 0.00 179.97 181.82 1vnd h GLU 40 N 0.09 0.00 0.00 0.08 5.08 -1.73 -3.18 114.58 114.92 1vnd h GLU 40 Ca -0.23 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1vnd h GLU 40 Cb 2.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 1vnd h GLU 40 CO 0.20 0.00 -0.48 1.25 -1.00 0.00 0.00 179.01 178.98 1vnd h HIS 41 N 0.00 0.00 -0.31 4.33 2.76 -1.66 -2.21 115.15 118.06 1vnd h HIS 41 Ca 0.00 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 1vnd h HIS 41 Cb 0.96 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1vnd h HIS 41 CO 0.00 0.34 -0.27 1.25 -1.30 0.00 0.00 177.93 177.94 1vnd h LEU 42 N 0.00 0.79 -0.96 0.26 7.12 -1.56 -2.89 115.31 118.06 1vnd h LEU 42 Ca -0.02 -0.46 -0.11 0.00 0.13 0.00 0.00 57.88 57.43 1vnd h LEU 42 Cb 1.27 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 41.17 1vnd h LEU 42 CO 0.04 1.08 -0.42 0.00 -0.13 0.00 0.00 178.44 179.01 1vnd h ALA 43 N 0.73 1.12 0.07 1.25 0.00 -1.55 -2.76 119.26 118.12 1vnd h ALA 43 Ca 0.06 -0.41 -0.28 0.00 0.00 0.00 0.00 54.91 54.27 1vnd h ALA 43 Cb 0.84 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1vnd h ALA 43 CO 0.07 0.59 -1.41 0.77 0.00 0.00 0.00 179.25 179.27 1vnd h SER 44 N 0.18 0.23 1.20 0.00 0.02 -1.46 0.36 113.55 114.08 1vnd h SER 44 Ca 0.02 -0.31 -0.12 0.00 -0.84 0.00 0.00 61.79 60.54 1vnd h SER 44 Cb 0.82 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1vnd h SER 44 CO 0.06 1.26 -0.84 -0.07 -1.14 0.00 0.00 176.83 176.10 1vnd h LEU 45 N 0.04 0.00 0.00 5.07 3.38 -1.62 -3.34 115.31 118.84 1vnd h LEU 45 Ca -0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1vnd h LEU 45 Cb 1.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1vnd h LEU 45 CO 0.14 0.48 -1.63 2.30 0.09 0.00 0.00 178.44 179.82 1vnd n ILE 46 N -3.07 0.55 -1.09 1.22 -5.35 -1.04 -5.04 119.36 105.54 1vnd n ILE 46 Ca -0.02 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1vnd n ILE 46 Cb 0.75 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 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 -2.55 0.00 -3.05 6.28 0.00 -0.83 -4.97 116.66 111.53 1vnd n ARG 47 Ca -0.07 0.13 -0.09 0.00 -0.00 0.00 0.00 57.85 57.82 1vnd n ARG 47 Cb 0.68 -1.09 -0.04 0.00 0.00 0.00 0.00 32.46 32.01 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 -0.96 0.00 -4.89 6.15 4.77 0.06 -4.93 117.00 117.19 1vnd n LEU 48 Ca 0.00 -1.48 -0.32 0.00 -0.03 0.00 0.00 56.01 54.18 1vnd n LEU 48 Cb 0.36 0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 42.16 1vnd n LEU 48 CO 0.00 -0.24 0.01 0.42 -1.33 0.00 0.00 177.39 176.25 1vnd s THR 49 N -2.60 5.19 0.62 -5.08 -4.23 -1.26 -4.50 115.64 103.78 1vnd s THR 49 Ca 0.18 0.09 0.42 0.00 -1.18 0.00 0.00 61.69 61.20 1vnd s THR 49 Cb 0.01 -3.62 0.43 0.00 1.34 0.00 0.00 72.50 70.66 1vnd s THR 49 CO 0.13 0.13 2.33 -0.65 -0.54 0.00 0.00 174.62 176.01 1vnd h PRO 50 N 3.13 0.00 0.00 3.99 0.11 -1.93 -3.01 132.00 134.29 1vnd h PRO 50 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 1vnd h PRO 50 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1vnd h PRO 50 CO 0.71 0.00 -1.38 0.00 -0.21 0.00 0.00 178.00 177.12 1vnd h THR 51 N 0.00 0.96 0.00 -1.15 1.03 -1.99 -3.03 112.91 108.73 1vnd h THR 51 Ca -0.00 -2.66 -0.24 0.00 -0.01 0.00 0.00 66.41 63.51 1vnd h THR 51 Cb 0.04 2.42 -0.04 0.00 -1.07 0.00 0.00 68.15 69.51 1vnd h THR 51 CO 0.00 0.55 -1.25 0.06 -0.01 0.00 0.00 175.52 174.87 1vnd h GLN 52 N 0.00 0.00 -0.42 0.00 3.07 -1.96 -2.84 115.11 112.96 1vnd h GLN 52 Ca -0.17 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.44 1vnd h GLN 52 Cb 1.81 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.36 1vnd h GLN 52 CO 0.08 0.79 -0.23 -0.24 0.09 0.00 0.00 178.83 179.32 1vnd h VAL 53 N 0.00 1.28 -0.31 1.86 3.04 -1.67 -2.57 116.25 117.88 1vnd h VAL 53 Ca -0.11 -1.39 -0.07 0.00 -1.01 0.00 0.00 66.70 64.12 1vnd h VAL 53 Cb 1.85 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 32.38 1vnd h VAL 53 CO 0.11 0.47 -0.10 0.11 -1.01 0.00 0.00 177.57 177.15 1vnd h LYS 54 N 0.72 0.52 0.00 4.17 1.79 -1.62 -2.80 116.57 119.34 1vnd h LYS 54 Ca 0.09 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1vnd h LYS 54 Cb 0.81 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1vnd h LYS 54 CO 0.07 0.62 0.00 0.82 -1.08 0.00 0.00 179.45 179.88 1vnd h ILE 55 N 0.48 0.00 -0.14 1.86 1.08 -1.52 -3.01 117.51 116.27 1vnd h ILE 55 Ca 0.09 -0.47 -0.19 0.00 -0.39 0.00 0.00 64.86 63.89 1vnd h ILE 55 Cb 0.47 1.41 0.01 0.00 -3.07 0.00 0.00 36.82 35.64 1vnd h ILE 55 CO 0.03 0.00 -0.67 -0.25 -0.69 0.00 0.00 178.15 176.56 1vnd h TRP 56 N 0.00 0.94 0.00 1.37 7.01 -1.20 -2.88 115.95 121.20 1vnd h TRP 56 Ca 0.00 -0.41 0.00 0.00 2.11 0.00 0.00 58.89 60.59 1vnd h TRP 56 Cb 0.67 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1vnd h TRP 56 CO 0.00 1.23 -0.22 1.19 -2.79 0.00 0.00 178.44 177.85 1vnd n PHE 57 N -4.05 0.40 -0.04 2.65 3.01 -1.12 -3.05 117.46 115.27 1vnd n PHE 57 Ca -0.08 0.12 -0.15 0.00 1.01 0.00 0.00 57.45 58.35 1vnd n PHE 57 Cb 0.69 -0.63 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 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 0.49 0.00 -1.08 4.15 -1.59 -3.41 115.11 113.68 1vnd h GLN 58 Ca 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1vnd h GLN 58 Cb 0.63 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1vnd h GLN 58 CO 0.00 1.00 -0.85 0.09 -1.93 0.00 0.00 178.83 177.14 1vnd n ASN 59 N -4.29 0.63 0.03 -0.69 4.13 -1.09 -4.22 115.26 109.77 1vnd n ASN 59 Ca -0.08 -0.17 -0.01 0.00 1.68 0.00 0.00 54.58 56.00 1vnd n ASN 59 Cb 0.55 0.57 -0.01 0.00 -1.54 0.00 0.00 39.78 39.36 1vnd n ASN 59 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1vnd h HIS 60 N 0.00 -0.08 0.00 3.10 2.76 -1.77 -3.47 115.15 115.69 1vnd h HIS 60 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1vnd h HIS 60 Cb 0.69 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.68 1vnd h HIS 60 CO 0.00 -0.05 0.00 2.89 -1.30 0.00 0.00 177.93 179.47 1vnd n ARG 61 N -2.48 0.00 0.00 5.26 -4.01 -1.26 -4.40 116.66 109.77 1vnd n ARG 61 Ca -0.01 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 1vnd n ARG 61 Cb 0.04 -0.20 0.00 0.00 -3.04 0.00 0.00 32.46 29.26 1vnd n ARG 61 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 1vnd n TYR 62 N 0.40 0.00 -0.00 2.89 4.02 -1.26 -5.08 117.16 118.13 1vnd n TYR 62 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 1vnd n TYR 62 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.18 1vnd n TYR 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1vnd n LYS 63 N 0.00 0.75 0.30 -0.72 -0.00 -1.26 -4.98 118.16 112.25 1vnd n LYS 63 Ca 0.00 0.29 0.05 0.00 -0.00 0.00 0.00 58.31 58.65 1vnd n LYS 63 Cb 0.00 -1.72 0.26 0.00 -0.00 0.00 0.00 35.03 33.57 1vnd n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vnd h THR 64 N -0.01 0.00 -0.49 0.58 1.03 -1.98 -3.40 112.91 108.65 1vnd h THR 64 Ca -0.42 0.00 0.09 0.00 -0.01 0.00 0.00 66.41 66.07 1vnd h THR 64 Cb 1.98 0.21 -0.09 0.00 -1.07 0.00 0.00 68.15 69.19 1vnd h THR 64 CO 0.07 0.00 -0.15 2.29 -0.01 0.00 0.00 175.52 177.72 1vnd n LYS 65 N -2.50 -0.08 -4.13 0.00 -0.00 -1.26 -4.47 118.16 105.73 1vnd n LYS 65 Ca -0.01 0.76 -0.30 0.00 -0.00 0.00 0.00 58.31 58.76 1vnd n LYS 65 Cb 0.75 -1.13 -0.08 0.00 -0.00 0.00 0.00 35.03 34.57 1vnd n LYS 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1vnd s ARG 66 N -5.54 2.57 -0.44 -1.58 3.52 -1.26 -5.10 118.95 111.11 1vnd s ARG 66 Ca -0.07 -0.83 -0.18 0.00 -0.13 0.00 0.00 55.73 54.52 1vnd s ARG 66 Cb 0.12 -2.55 0.03 0.00 -1.56 0.00 0.00 34.95 30.98 1vnd s ARG 66 CO 0.37 0.54 0.51 0.00 -0.81 0.00 0.00 175.30 175.91 1vnd s ALA 67 N -1.31 3.41 -0.78 6.12 0.00 -1.26 -5.02 121.76 122.92 1vnd s ALA 67 Ca 0.26 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 1vnd s ALA 67 Cb -0.12 -3.16 0.20 0.00 0.00 0.00 0.00 23.12 20.05 1vnd s ALA 67 CO 0.18 -1.71 0.72 -0.65 0.00 0.00 0.00 175.76 174.30 1vnd s GLN 68 N 2.33 3.47 -0.45 0.00 -0.21 -1.26 -4.80 119.66 118.75 1vnd s GLN 68 Ca 0.14 -2.36 0.07 0.00 0.02 0.00 0.00 55.36 53.23 1vnd s GLN 68 Cb -0.17 -4.38 0.28 0.00 1.00 0.00 0.00 33.01 29.74 1vnd s GLN 68 CO 0.14 -1.29 0.87 -1.71 -2.12 0.00 0.00 175.29 171.18 1vnd n ASN 69 N 4.13 -1.78 -4.58 5.90 5.15 -1.26 -5.08 115.26 117.74 1vnd n ASN 69 Ca 0.10 -3.27 -0.36 0.00 -0.60 0.00 0.00 54.58 50.44 1vnd n ASN 69 Cb 0.46 1.14 -0.03 0.00 -0.53 0.00 0.00 39.78 40.81 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1vnd s GLU 70 N -0.11 3.31 0.00 1.20 8.01 -1.26 -3.56 118.70 126.29 1vnd s GLU 70 Ca 0.31 -1.47 0.00 0.00 0.01 0.00 0.00 54.97 53.82 1vnd s GLU 70 Cb 0.25 -5.38 0.00 0.00 -4.31 0.00 0.00 34.13 24.69 1vnd s GLU 70 CO -0.15 -2.94 0.00 1.63 0.01 0.00 0.00 175.26 173.81 1vnd n LYS 71 N 8.46 0.00 -0.29 1.61 4.76 -1.26 -5.02 118.16 126.41 1vnd n LYS 71 Ca 0.45 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 1vnd n LYS 71 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1vnd n LYS 71 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vnd n GLY 72 N 0.00 0.72 0.16 0.72 0.00 -1.25 -4.19 105.19 101.35 1vnd n GLY 72 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.31 -1.62 1.61 -0.00 -1.89 -3.36 116.97 111.40 1vnd h TYR 73 Ca 0.00 -0.01 -0.72 0.00 -0.00 0.00 0.00 58.73 58.00 1vnd h TYR 73 Cb 0.17 0.10 -0.27 0.00 -0.00 0.00 0.00 36.73 36.73 1vnd h TYR 73 CO 0.00 -0.20 0.97 -0.85 -0.00 0.00 0.00 178.16 178.09 1vnd n GLU 74 N -4.43 2.70 -1.06 0.10 0.28 -1.26 -4.93 120.64 112.03 1vnd n GLU 74 Ca -0.04 -3.37 0.00 0.00 -0.16 0.00 0.00 57.16 53.59 1vnd n GLU 74 Cb 0.13 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 30.74 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 -0.59 -0.71 3.69 -1.84 0.00 -1.26 -5.16 105.19 99.32 1vnd n GLY 75 Ca 0.56 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1vnd n GLY 75 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vnd s HIS 76 N -3.65 3.04 -2.00 1.61 -3.43 -1.26 -4.86 115.29 104.73 1vnd s HIS 76 Ca 0.00 0.02 0.12 0.00 -0.80 0.00 0.00 55.06 54.40 1vnd s HIS 76 Cb 0.00 -1.60 0.71 0.00 -1.43 0.00 0.00 32.58 30.26 1vnd s HIS 76 CO 0.00 0.47 1.14 -2.30 -2.00 0.00 0.00 174.74 172.05