#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 0.95 -3.75 0.00 7.64 -1.26 -2.95 113.62 114.26 1vnd n SER 2 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1vnd n SER 2 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1vnd n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1vnd s ASP 3 N -3.61 4.03 0.00 6.43 1.01 -1.26 -4.70 116.67 118.57 1vnd s ASP 3 Ca 0.00 -1.63 0.00 0.00 0.71 0.00 0.00 52.55 51.63 1vnd s ASP 3 Cb 0.00 -0.89 0.00 0.00 1.01 0.00 0.00 42.92 43.04 1vnd s ASP 3 CO 0.00 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 175.58 1vnd n GLY 4 N 4.83 1.81 0.99 0.21 0.00 -1.26 -5.07 105.19 106.69 1vnd n GLY 4 Ca -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.10 -4.71 0.99 4.77 -1.26 -4.97 117.00 111.92 1vnd n LEU 5 Ca 0.00 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1vnd n LEU 5 Cb 0.00 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1vnd n LEU 5 CO 0.00 -0.04 0.77 -2.16 -1.33 0.00 0.00 177.39 174.62 1vnd s PRO 6 N -2.01 4.51 0.00 3.23 0.04 -1.26 -5.03 135.00 134.49 1vnd s PRO 6 Ca -0.01 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1vnd s PRO 6 Cb 0.00 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1vnd s PRO 6 CO 0.01 -0.13 0.00 -1.71 0.04 0.00 0.00 177.00 175.21 1vnd n ASN 7 N 3.85 0.00 0.00 6.66 5.15 -1.26 -2.14 115.26 127.51 1vnd n ASN 7 Ca 0.07 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 1vnd n ASN 7 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 1vnd n ASN 7 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1vnd n LYS 8 N 0.00 0.18 -3.48 1.20 4.81 -1.15 -4.80 118.16 114.92 1vnd n LYS 8 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1vnd n LYS 8 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1vnd n LYS 8 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1vnd n LYS 9 N 0.00 2.77 0.04 1.64 3.00 -1.26 -4.54 118.16 119.80 1vnd n LYS 9 Ca 0.00 -4.58 0.00 0.00 -0.00 0.00 0.00 58.31 53.73 1vnd n LYS 9 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 35.03 32.69 1vnd n LYS 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vnd n ARG 10 N 1.43 0.00 -3.86 1.64 1.74 -1.26 -4.96 116.66 111.40 1vnd n ARG 10 Ca 0.26 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 57.01 1vnd n ARG 10 Cb 0.38 -0.03 -0.12 0.00 -1.02 0.00 0.00 32.46 31.67 1vnd n ARG 10 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1vnd s LYS 11 N -2.00 2.14 -0.04 5.56 1.02 -1.26 -5.07 119.74 120.09 1vnd s LYS 11 Ca 0.00 -2.42 -0.29 0.00 0.02 0.00 0.00 55.97 53.27 1vnd s LYS 11 Cb 0.00 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 33.75 1vnd s LYS 11 CO 0.00 -1.11 2.04 0.50 -0.92 0.00 0.00 175.35 175.86 1vnd s ARG 12 N 0.07 3.85 0.07 1.68 3.52 -1.26 -4.84 118.95 122.04 1vnd s ARG 12 Ca 0.15 2.45 0.01 0.00 -0.13 0.00 0.00 55.73 58.21 1vnd s ARG 12 Cb -0.23 -4.23 0.01 0.00 -1.56 0.00 0.00 34.95 28.95 1vnd s ARG 12 CO -0.03 -1.29 0.07 0.54 -0.81 0.00 0.00 175.30 173.79 1vnd n ARG 13 N 7.90 1.19 -0.82 5.12 5.12 -1.26 -5.03 116.66 128.87 1vnd n ARG 13 Ca 0.23 -0.42 0.03 0.00 -1.93 0.00 0.00 57.85 55.77 1vnd n ARG 13 Cb 0.42 0.01 0.34 0.00 -1.16 0.00 0.00 32.46 32.07 1vnd n ARG 13 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1vnd n VAL 14 N -0.89 2.48 -2.76 1.55 0.31 -1.26 -4.93 118.33 112.82 1vnd n VAL 14 Ca 0.01 -1.27 -0.43 0.00 -0.01 0.00 0.00 64.34 62.64 1vnd n VAL 14 Cb 0.08 -0.33 -0.03 0.00 -0.91 0.00 0.00 33.84 32.64 1vnd n VAL 14 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1vnd s LEU 15 N -2.47 3.94 0.13 7.52 2.34 -1.26 -5.04 118.68 123.84 1vnd s LEU 15 Ca 0.48 0.56 0.04 0.00 0.06 0.00 0.00 54.13 55.27 1vnd s LEU 15 Cb 0.37 -3.32 -0.04 0.00 -0.56 0.00 0.00 46.19 42.64 1vnd s LEU 15 CO 0.13 -0.94 0.12 -0.36 -1.06 0.00 0.00 176.35 174.25 1vnd s PHE 16 N 3.66 3.19 0.01 3.48 0.08 -1.26 -5.11 117.98 122.03 1vnd s PHE 16 Ca 0.40 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.49 1vnd s PHE 16 Cb -0.11 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1vnd s PHE 16 CO 0.21 0.52 0.00 2.41 -0.10 0.00 0.00 175.22 178.27 1vnd n THR 17 N -0.02 0.00 1.06 0.64 -1.04 -1.26 -5.00 114.28 108.66 1vnd n THR 17 Ca -0.08 -0.02 0.13 0.00 -2.04 0.00 0.00 64.05 62.03 1vnd n THR 17 Cb 0.53 -0.40 0.60 0.00 -1.82 0.00 0.00 70.33 69.24 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 -0.42 0.19 0.10 -2.82 -0.00 -1.26 -2.80 118.16 111.16 1vnd n LYS 18 Ca -0.00 0.05 -0.21 0.00 -0.00 0.00 0.00 58.31 58.15 1vnd n LYS 18 Cb 0.01 -1.50 -0.15 0.00 -0.00 0.00 0.00 35.03 33.39 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 3.06 0.07 0.10 0.58 0.00 -1.99 -3.31 119.26 117.76 1vnd h ALA 19 Ca 0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 54.91 53.68 1vnd h ALA 19 Cb 0.34 0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.41 1vnd h ALA 19 CO 0.00 0.94 -0.94 1.96 0.00 0.00 0.00 179.25 181.21 1vnd h GLN 20 N 0.11 0.46 -0.31 0.00 1.08 -1.91 -3.02 115.11 111.52 1vnd h GLN 20 Ca -0.26 -0.63 -0.12 0.00 -1.45 0.00 0.00 58.65 56.19 1vnd h GLN 20 Cb 2.09 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 29.71 1vnd h GLN 20 CO 0.21 1.26 -0.30 1.79 -0.95 0.00 0.00 178.83 180.84 1vnd h THR 21 N -0.03 1.28 0.16 -0.54 1.35 -1.74 -3.02 112.91 110.37 1vnd h THR 21 Ca -0.14 -1.42 -0.01 0.00 -0.55 0.00 0.00 66.41 64.29 1vnd h THR 21 Cb 1.67 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1vnd h THR 21 CO 0.18 0.46 -0.08 0.22 -0.25 0.00 0.00 175.52 176.05 1vnd h TYR 22 N 0.56 -0.20 -0.08 4.73 3.20 -1.65 -3.03 116.97 120.49 1vnd h TYR 22 Ca 0.07 -0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.75 1vnd h TYR 22 Cb 0.79 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1vnd h TYR 22 CO 0.04 0.01 -0.71 0.93 -1.64 0.00 0.00 178.16 176.79 1vnd h GLU 23 N -0.39 0.39 -0.29 1.82 4.39 -1.59 -2.80 114.58 116.11 1vnd h GLU 23 Ca -0.02 -0.31 -0.11 0.00 0.34 0.00 0.00 59.36 59.26 1vnd h GLU 23 Cb 0.30 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1vnd h GLU 23 CO 0.04 0.95 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.53 1vnd h LEU 24 N 0.27 0.71 -0.87 1.33 3.38 -1.63 -2.94 115.31 115.56 1vnd h LEU 24 Ca -0.03 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 1vnd h LEU 24 Cb 1.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1vnd h LEU 24 CO 0.12 1.01 -0.47 -0.33 0.09 0.00 0.00 178.44 178.86 1vnd h GLU 25 N 0.42 0.21 0.00 1.13 4.39 -1.62 -3.06 114.58 116.06 1vnd h GLU 25 Ca 0.05 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 1vnd h GLU 25 Cb 0.78 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1vnd h GLU 25 CO 0.06 0.64 -0.77 0.07 -1.16 0.00 0.00 179.01 177.85 1vnd h ARG 26 N 0.17 0.00 0.00 2.33 0.11 -1.53 -2.95 114.38 112.51 1vnd h ARG 26 Ca 0.01 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.96 1vnd h ARG 26 Cb 0.90 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.96 1vnd h ARG 26 CO 0.07 0.77 -0.62 0.00 0.10 0.00 0.00 179.97 180.28 1vnd h ARG 27 N 0.00 0.00 -0.17 0.08 2.47 -1.62 -3.35 114.38 111.79 1vnd h ARG 27 Ca -0.01 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 1vnd h ARG 27 Cb 1.59 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.90 1vnd h ARG 27 CO 0.10 0.62 -0.39 0.35 0.56 0.00 0.00 179.97 181.22 1vnd h PHE 28 N 0.00 0.43 0.00 3.04 3.57 -1.41 -2.74 116.94 119.83 1vnd h PHE 28 Ca -0.01 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1vnd h PHE 28 Cb 1.22 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1vnd h PHE 28 CO 0.00 0.71 -0.13 0.00 -2.23 0.00 0.00 178.31 176.65 1vnd h ARG 29 N 0.31 0.00 0.00 1.11 2.47 -1.65 -3.29 114.38 113.33 1vnd h ARG 29 Ca 0.03 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.43 1vnd h ARG 29 Cb 0.82 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.08 1vnd h ARG 29 CO 0.07 0.00 -2.04 1.04 0.56 0.00 0.00 179.97 179.60 1vnd n GLN 30 N -2.31 0.66 -3.52 0.04 1.13 -1.22 -5.05 117.38 107.11 1vnd n GLN 30 Ca 0.05 0.14 -0.12 0.00 -1.94 0.00 0.00 57.00 55.13 1vnd n GLN 30 Cb 0.44 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 29.10 1vnd n GLN 30 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1vnd s GLN 31 N -2.57 0.87 -0.19 -1.09 -2.07 -1.03 -5.07 119.66 108.50 1vnd s GLN 31 Ca -0.07 -0.06 0.09 0.00 -1.82 0.00 0.00 55.36 53.51 1vnd s GLN 31 Cb 0.07 0.41 -0.18 0.00 -1.09 0.00 0.00 33.01 32.21 1vnd s GLN 31 CO 0.83 -0.33 -0.06 0.54 -1.32 0.00 0.00 175.29 174.96 1vnd n ARG 32 N 0.31 0.89 -4.79 9.60 1.74 -1.26 -3.82 116.66 119.33 1vnd n ARG 32 Ca -0.13 0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.69 1vnd n ARG 32 Cb 0.60 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.43 2.61 -0.17 -1.55 -0.85 -1.26 -5.00 117.35 108.70 1vnd s TYR 33 Ca -0.18 -0.22 -0.07 0.00 -0.52 0.00 0.00 57.07 56.08 1vnd s TYR 33 Cb 0.06 -1.54 0.08 0.00 0.38 0.00 0.00 41.96 40.94 1vnd s TYR 33 CO 0.62 0.21 0.37 -0.48 -1.52 0.00 0.00 175.55 174.75 1vnd s LEU 34 N -1.10 -0.44 0.62 -3.49 -0.00 -1.26 -5.14 118.68 107.87 1vnd s LEU 34 Ca 0.13 0.86 -0.05 0.00 -0.00 0.00 0.00 54.13 55.07 1vnd s LEU 34 Cb -0.11 1.16 0.03 0.00 -0.00 0.00 0.00 46.19 47.28 1vnd s LEU 34 CO 0.03 -0.23 0.92 -0.94 -0.00 0.00 0.00 176.35 176.13 1vnd s SER 35 N 2.34 5.26 0.41 1.48 1.04 -1.26 -4.63 113.70 118.34 1vnd s SER 35 Ca -0.02 0.49 0.18 0.00 0.48 0.00 0.00 55.95 57.08 1vnd s SER 35 Cb -0.11 -1.35 1.10 0.00 0.10 0.00 0.00 66.02 65.75 1vnd s SER 35 CO -0.11 -1.26 1.81 0.00 0.98 0.00 0.00 173.24 174.65 1vnd h ALA 36 N -0.28 2.24 -0.06 5.32 0.00 -2.02 -0.04 119.26 124.42 1vnd h ALA 36 Ca -0.45 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1vnd h ALA 36 Cb 1.28 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1vnd h ALA 36 CO 0.59 -0.58 -0.36 -1.35 0.00 0.00 0.00 179.25 177.55 1vnd h PRO 37 N 0.40 0.11 0.00 0.00 0.11 -1.99 -3.00 132.00 127.62 1vnd h PRO 37 Ca 0.53 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.55 1vnd h PRO 37 Cb 1.36 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1vnd h PRO 37 CO -0.23 0.46 -2.04 -0.85 -0.21 0.00 0.00 178.00 175.13 1vnd n GLU 38 N -4.09 0.66 0.10 1.05 0.28 -0.95 -4.09 120.64 113.61 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 0.42 -1.52 -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 0.45 0.00 3.44 2.43 -1.09 -3.04 114.38 116.57 1vnd h ARG 39 Ca -0.07 -0.74 -0.01 0.00 -0.81 0.00 0.00 59.98 58.35 1vnd h ARG 39 Cb 1.15 0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1vnd h ARG 39 CO 0.00 1.35 -0.18 0.93 -1.51 0.00 0.00 179.97 180.56 1vnd h GLU 40 N -0.05 0.00 0.00 0.20 4.39 -1.77 -2.97 114.58 114.37 1vnd h GLU 40 Ca -0.20 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.34 1vnd h GLU 40 Cb 1.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.53 1vnd h GLU 40 CO 0.22 0.04 -0.84 1.25 -1.16 0.00 0.00 179.01 178.51 1vnd h HIS 41 N 0.00 0.00 -0.01 4.33 2.76 -1.71 -2.61 115.15 117.91 1vnd h HIS 41 Ca -0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 1vnd h HIS 41 Cb 1.03 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 1vnd h HIS 41 CO 0.00 0.72 -0.81 1.25 -1.30 0.00 0.00 177.93 177.79 1vnd h LEU 42 N 0.00 0.20 0.00 0.26 7.12 -1.51 -2.50 115.31 118.88 1vnd h LEU 42 Ca -0.04 -0.15 -0.13 0.00 0.13 0.00 0.00 57.88 57.69 1vnd h LEU 42 Cb 1.58 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.63 1vnd h LEU 42 CO 0.09 0.92 -0.70 0.00 -0.13 0.00 0.00 178.44 178.62 1vnd h ALA 43 N 1.07 0.62 0.00 1.25 0.00 -1.56 -2.72 119.26 117.92 1vnd h ALA 43 Ca -0.03 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 1vnd h ALA 43 Cb 1.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1vnd h ALA 43 CO 0.12 0.77 -1.11 0.77 0.00 0.00 0.00 179.25 179.80 1vnd h SER 44 N 0.00 0.00 -0.18 0.00 0.02 -1.54 0.21 113.55 112.05 1vnd h SER 44 Ca -0.03 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.72 1vnd h SER 44 Cb 1.48 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.02 1vnd h SER 44 CO 0.07 0.71 -0.69 0.25 -1.14 0.00 0.00 176.83 176.04 1vnd h LEU 45 N 0.00 0.92 0.00 5.07 6.46 -1.50 -3.37 115.31 122.89 1vnd h LEU 45 Ca -0.11 -0.61 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1vnd h LEU 45 Cb 1.63 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 1vnd h LEU 45 CO 0.07 1.37 -1.43 2.30 -0.62 0.00 0.00 178.44 180.14 1vnd n ILE 46 N -3.99 0.00 -0.66 4.05 -5.35 -1.02 -5.06 119.36 107.32 1vnd n ILE 46 Ca -0.07 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1vnd n ILE 46 Cb 0.70 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 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 -1.85 0.00 -1.62 6.28 3.00 -0.82 -5.00 116.66 116.67 1vnd n ARG 47 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1vnd n ARG 47 Cb 0.35 -0.66 0.00 0.00 0.00 0.00 0.00 32.46 32.15 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 -0.62 0.00 -4.90 6.15 4.77 -0.00 -5.03 117.00 117.37 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 0.22 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1vnd n LEU 48 CO 0.00 0.00 -0.09 0.42 -1.33 0.00 0.00 177.39 176.39 1vnd s THR 49 N -1.32 5.33 0.33 -5.08 -4.23 -1.26 -4.76 115.64 104.64 1vnd s THR 49 Ca 0.00 -0.09 0.37 0.00 -1.18 0.00 0.00 61.69 60.79 1vnd s THR 49 Cb 0.00 -3.59 0.38 0.00 1.34 0.00 0.00 72.50 70.62 1vnd s THR 49 CO 0.00 0.22 2.12 -0.65 -0.54 0.00 0.00 174.62 175.77 1vnd h PRO 50 N 3.44 0.00 0.01 3.99 0.11 -1.97 -3.06 132.00 134.52 1vnd h PRO 50 Ca -0.47 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.35 1vnd h PRO 50 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1vnd h PRO 50 CO 0.71 0.00 -1.60 0.00 -0.21 0.00 0.00 178.00 176.90 1vnd h THR 51 N 0.00 0.99 0.03 -1.15 1.03 -1.99 -2.95 112.91 108.87 1vnd h THR 51 Ca 0.00 -2.80 -0.25 0.00 -0.01 0.00 0.00 66.41 63.34 1vnd h THR 51 Cb 0.08 2.51 -0.03 0.00 -1.07 0.00 0.00 68.15 69.65 1vnd h THR 51 CO 0.00 0.60 -1.28 0.06 -0.01 0.00 0.00 175.52 174.89 1vnd h GLN 52 N 0.01 0.07 -0.42 0.00 3.07 -1.97 -2.97 115.11 112.90 1vnd h GLN 52 Ca -0.25 -0.11 -0.10 0.00 0.09 0.00 0.00 58.65 58.28 1vnd h GLN 52 Cb 1.98 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 29.57 1vnd h GLN 52 CO 0.09 0.92 -0.13 -0.24 0.09 0.00 0.00 178.83 179.56 1vnd h VAL 53 N 0.02 1.28 -0.35 1.86 3.04 -1.69 -2.71 116.25 117.70 1vnd h VAL 53 Ca -0.13 -1.24 0.06 0.00 -1.01 0.00 0.00 66.70 64.38 1vnd h VAL 53 Cb 1.89 1.21 -0.05 0.00 -2.01 0.00 0.00 31.29 32.32 1vnd h VAL 53 CO 0.13 0.42 0.03 0.11 -1.01 0.00 0.00 177.57 177.25 1vnd h LYS 54 N 0.64 0.13 -0.00 4.17 1.79 -1.60 -3.00 116.57 118.71 1vnd h LYS 54 Ca 0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1vnd h LYS 54 Cb 0.67 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1vnd h LYS 54 CO 0.05 0.09 -0.28 -0.89 -1.08 0.00 0.00 179.45 177.34 1vnd n ILE 55 N -5.14 0.00 -0.01 1.86 5.41 -1.12 -2.38 119.36 117.98 1vnd n ILE 55 Ca 0.01 -0.02 -0.17 0.00 1.00 0.00 0.00 62.75 63.57 1vnd n ILE 55 Cb 0.17 0.02 -0.09 0.00 -0.71 0.00 0.00 39.64 39.03 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 0.24 0.79 0.00 1.39 7.01 -1.42 -3.19 115.95 120.76 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 0.47 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1vnd h TRP 56 CO 0.00 1.18 -0.20 1.19 -2.79 0.00 0.00 178.44 177.82 1vnd n PHE 57 N -4.13 0.14 0.04 2.65 3.72 -1.14 -2.30 117.46 116.43 1vnd n PHE 57 Ca -0.09 0.04 -0.20 0.00 -0.05 0.00 0.00 57.45 57.16 1vnd n PHE 57 Cb 0.68 -0.48 -0.12 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.54 0.00 -1.08 4.15 -1.58 -3.37 115.11 113.77 1vnd h GLN 58 Ca 0.00 -0.63 -0.10 0.00 0.77 0.00 0.00 58.65 58.70 1vnd h GLN 58 Cb 0.54 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 1vnd h GLN 58 CO 0.00 1.24 -1.37 0.09 -1.93 0.00 0.00 178.83 176.86 1vnd n ASN 59 N -4.01 0.72 0.10 -0.69 3.02 -1.21 -4.37 115.26 108.82 1vnd n ASN 59 Ca -0.12 0.30 0.12 0.00 -0.03 0.00 0.00 54.58 54.85 1vnd n ASN 59 Cb 0.81 0.51 0.15 0.00 -0.61 0.00 0.00 39.78 40.65 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 -1.39 3.10 3.86 -1.65 -3.24 115.15 115.82 1vnd h HIS 60 Ca -0.10 0.00 -0.76 0.00 -1.16 0.00 0.00 60.37 58.35 1vnd h HIS 60 Cb 1.33 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.64 1vnd h HIS 60 CO 0.00 0.00 2.03 2.89 0.86 0.00 0.00 177.93 183.71 1vnd n ARG 61 N -2.43 3.69 -3.25 2.45 1.85 -1.26 -3.79 116.66 113.92 1vnd n ARG 61 Ca 0.03 -3.54 0.04 0.00 -1.00 0.00 0.00 57.85 53.37 1vnd n ARG 61 Cb 0.48 -2.90 -0.02 0.00 -1.05 0.00 0.00 32.46 28.97 1vnd n ARG 61 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 1vnd s TYR 62 N 0.23 -0.76 0.36 2.89 -0.85 -1.23 -5.00 117.35 112.99 1vnd s TYR 62 Ca 0.40 0.99 0.13 0.00 -0.52 0.00 0.00 57.07 58.07 1vnd s TYR 62 Cb 0.10 0.34 0.68 0.00 0.38 0.00 0.00 41.96 43.46 1vnd s TYR 62 CO 0.00 -0.40 1.80 0.87 -1.52 0.00 0.00 175.55 176.30 1vnd h LYS 63 N 7.81 0.00 0.00 -3.49 1.79 -1.65 -3.49 116.57 117.53 1vnd h LYS 63 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1vnd h LYS 63 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1vnd h LYS 63 CO 0.03 0.40 0.00 0.25 -1.08 0.00 0.00 179.45 179.05 1vnd n THR 64 N -4.05 0.00 -2.98 -0.16 -2.24 -1.26 -4.88 114.28 98.71 1vnd n THR 64 Ca -0.02 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.32 1vnd n THR 64 Cb 0.43 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 1vnd n THR 64 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1vnd s LYS 65 N 1.12 3.53 -0.27 -0.78 -2.85 -1.26 -4.99 119.74 114.24 1vnd s LYS 65 Ca 0.00 -1.75 -0.33 0.00 -1.00 0.00 0.00 55.97 52.89 1vnd s LYS 65 Cb 0.00 -4.78 -0.09 0.00 -2.06 0.00 0.00 37.83 30.90 1vnd s LYS 65 CO 0.00 -1.71 2.17 0.54 0.10 0.00 0.00 175.35 176.45 1vnd n ARG 66 N 6.33 1.51 -3.56 1.78 5.12 -1.26 -4.98 116.66 121.59 1vnd n ARG 66 Ca 0.19 0.43 -0.39 0.00 -1.93 0.00 0.00 57.85 56.15 1vnd n ARG 66 Cb 0.48 -2.76 -0.11 0.00 -1.16 0.00 0.00 32.46 28.91 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vnd s ALA 67 N 7.33 3.50 -0.80 7.54 0.00 -1.26 -5.04 121.76 133.03 1vnd s ALA 67 Ca 1.05 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 1vnd s ALA 67 Cb -0.65 -2.57 0.21 0.00 0.00 0.00 0.00 23.12 20.11 1vnd s ALA 67 CO 0.44 -0.78 0.72 -0.65 0.00 0.00 0.00 175.76 175.50 1vnd s GLN 68 N 1.73 3.47 -0.18 0.00 -1.52 -1.26 -4.83 119.66 117.08 1vnd s GLN 68 Ca 0.06 -2.45 0.13 0.00 -1.95 0.00 0.00 55.36 51.16 1vnd s GLN 68 Cb -0.17 -4.35 0.39 0.00 -0.22 0.00 0.00 33.01 28.66 1vnd s GLN 68 CO 0.10 -1.28 1.20 0.27 -0.25 0.00 0.00 175.29 175.33 1vnd n ASN 69 N 3.96 1.74 -4.79 5.90 6.94 -1.26 -4.89 115.26 122.86 1vnd n ASN 69 Ca 0.12 -3.58 -0.39 0.00 -0.02 0.00 0.00 54.58 50.72 1vnd n ASN 69 Cb 0.46 -0.49 -0.06 0.00 -2.36 0.00 0.00 39.78 37.33 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1vnd s GLU 70 N -2.87 4.44 -0.18 -3.83 -1.05 -1.26 -2.80 118.70 111.16 1vnd s GLU 70 Ca 0.36 1.03 -0.15 0.00 -0.15 0.00 0.00 54.97 56.05 1vnd s GLU 70 Cb 0.35 -3.18 -0.04 0.00 -0.44 0.00 0.00 34.13 30.81 1vnd s GLU 70 CO -0.06 0.55 0.36 -1.59 0.95 0.00 0.00 175.26 175.47 1vnd s LYS 71 N -1.30 4.23 0.00 -4.83 -2.85 -1.26 -5.03 119.74 108.70 1vnd s LYS 71 Ca 0.36 0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.51 1vnd s LYS 71 Cb -0.21 -3.48 0.00 0.00 -2.06 0.00 0.00 37.83 32.08 1vnd s LYS 71 CO 0.24 0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.20 1vnd n GLY 72 N 3.64 -1.99 0.21 0.59 0.00 -1.24 -4.58 105.19 101.82 1vnd n GLY 72 Ca -0.10 0.66 0.13 0.00 0.00 0.00 0.00 46.02 46.71 1vnd n GLY 72 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1vnd h TYR 73 N 0.00 0.00 -2.45 1.61 0.05 -1.85 -3.22 116.97 111.10 1vnd h TYR 73 Ca 0.00 0.00 -0.80 0.00 0.05 0.00 0.00 58.73 57.98 1vnd h TYR 73 Cb 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.46 1vnd h TYR 73 CO 0.00 0.00 0.88 0.39 -1.05 0.00 0.00 178.16 178.38 1vnd n GLU 74 N -2.88 5.04 0.00 4.88 4.71 -1.26 -4.90 120.64 126.22 1vnd n GLU 74 Ca 0.03 -4.64 0.00 0.00 -0.01 0.00 0.00 57.16 52.54 1vnd n GLU 74 Cb 0.44 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.40 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vnd n GLY 75 N 0.37 1.25 3.08 0.62 0.00 -1.26 -4.97 105.19 104.28 1vnd n GLY 75 Ca 0.40 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 0.40 -2.00 1.61 3.76 -1.22 -4.95 115.29 112.89 1vnd s HIS 76 Ca 0.00 -0.86 0.22 0.00 -0.15 0.00 0.00 55.06 54.28 1vnd s HIS 76 Cb 0.00 -0.30 1.33 0.00 1.11 0.00 0.00 32.58 34.73 1vnd s HIS 76 CO 0.00 -0.35 1.71 -0.35 -0.85 0.00 0.00 174.74 174.90