#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 0.00 -3.27 0.00 3.41 -1.26 -4.97 113.62 107.53 1vnd n SER 2 Ca 0.00 -1.07 -0.25 0.00 -0.26 0.00 0.00 58.87 57.28 1vnd n SER 2 Cb 0.00 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 1vnd n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vnd n ASP 3 N 0.00 2.60 -0.10 4.04 8.00 -1.26 -5.01 116.55 124.82 1vnd n ASP 3 Ca 0.00 -3.23 0.00 0.00 0.71 0.00 0.00 54.79 52.27 1vnd n ASP 3 Cb 0.51 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1vnd n ASP 3 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vnd n GLY 4 N 0.82 -1.26 2.97 0.44 0.00 -1.26 -4.93 105.19 101.97 1vnd n GLY 4 Ca 0.27 -1.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 1vnd n GLY 4 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1vnd s LEU 5 N -0.36 -1.16 0.42 0.99 2.34 -1.26 -4.25 118.68 115.40 1vnd s LEU 5 Ca 0.00 -0.83 -0.21 0.00 0.06 0.00 0.00 54.13 53.14 1vnd s LEU 5 Cb 0.00 1.50 -0.11 0.00 -0.56 0.00 0.00 46.19 47.02 1vnd s LEU 5 CO 0.00 -0.10 0.96 -2.16 -1.06 0.00 0.00 176.35 173.99 1vnd s PRO 6 N 1.58 4.22 -0.65 1.48 0.04 -1.26 -5.10 135.00 135.30 1vnd s PRO 6 Ca 0.19 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1vnd s PRO 6 Cb -0.00 -2.24 0.45 0.00 0.04 0.00 0.00 34.50 32.75 1vnd s PRO 6 CO -0.08 -0.04 1.99 -1.71 0.04 0.00 0.00 177.00 177.20 1vnd n ASN 7 N -0.54 7.57 0.00 6.66 5.15 -1.26 -4.73 115.26 128.10 1vnd n ASN 7 Ca 0.07 -3.79 0.00 0.00 -0.60 0.00 0.00 54.58 50.26 1vnd n ASN 7 Cb 0.53 -0.95 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 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 -0.90 0.00 -3.57 1.20 5.02 -1.26 -5.11 118.16 113.55 1vnd n LYS 8 Ca 0.62 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.78 1vnd n LYS 8 Cb 0.67 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.63 1vnd n LYS 8 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1vnd s LYS 9 N 3.39 1.08 -0.05 1.97 0.00 -1.26 -5.09 119.74 119.78 1vnd s LYS 9 Ca 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 55.97 55.61 1vnd s LYS 9 Cb 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 37.83 38.30 1vnd s LYS 9 CO 0.00 -0.42 -0.18 1.03 0.00 0.00 0.00 175.35 175.78 1vnd s ARG 10 N -3.04 2.50 -0.21 1.78 1.81 -1.26 -5.03 118.95 115.50 1vnd s ARG 10 Ca -0.02 -0.77 0.01 0.00 -1.72 0.00 0.00 55.73 53.23 1vnd s ARG 10 Cb -0.00 -2.30 -0.14 0.00 -0.45 0.00 0.00 34.95 32.06 1vnd s ARG 10 CO -0.07 0.54 -0.19 0.36 -0.68 0.00 0.00 175.30 175.27 1vnd n LYS 11 N 2.53 0.52 0.00 3.54 0.00 -1.26 -4.98 118.16 118.51 1vnd n LYS 11 Ca -0.17 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1vnd n LYS 11 Cb 0.52 -1.41 0.00 0.00 -0.00 0.00 0.00 35.03 34.14 1vnd n LYS 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1vnd n ARG 12 N -3.15 0.00 -2.32 -1.58 0.63 -1.26 -4.87 116.66 104.11 1vnd n ARG 12 Ca -0.37 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.31 1vnd n ARG 12 Cb 0.89 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.88 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1vnd s ARG 13 N 0.00 2.05 -0.12 -0.14 1.81 -1.26 -4.96 118.95 116.33 1vnd s ARG 13 Ca 0.00 -0.50 -0.07 0.00 -1.72 0.00 0.00 55.73 53.44 1vnd s ARG 13 Cb 0.00 -2.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.23 1vnd s ARG 13 CO 0.00 -1.27 0.13 0.14 -0.68 0.00 0.00 175.30 173.63 1vnd s VAL 14 N -3.19 5.46 -0.05 3.52 -7.23 -1.26 -4.98 120.40 112.66 1vnd s VAL 14 Ca 0.62 0.19 -0.05 0.00 -1.81 0.00 0.00 61.98 60.93 1vnd s VAL 14 Cb -0.09 -3.38 0.02 0.00 0.56 0.00 0.00 36.38 33.48 1vnd s VAL 14 CO 0.44 0.61 0.14 -0.76 -0.31 0.00 0.00 175.10 175.22 1vnd s LEU 15 N -0.93 1.41 -0.54 1.32 1.02 -1.26 -5.11 118.68 114.58 1vnd s LEU 15 Ca 0.14 0.28 -0.09 0.00 0.02 0.00 0.00 54.13 54.48 1vnd s LEU 15 Cb -0.12 0.47 0.14 0.00 0.02 0.00 0.00 46.19 46.69 1vnd s LEU 15 CO 0.04 -0.06 0.42 -0.36 0.02 0.00 0.00 176.35 176.41 1vnd s PHE 16 N 0.17 3.45 0.00 0.29 0.08 -1.26 -4.93 117.98 115.78 1vnd s PHE 16 Ca -0.01 -1.95 0.00 0.00 0.12 0.00 0.00 56.93 55.09 1vnd s PHE 16 Cb -0.02 -3.53 0.00 0.00 -0.57 0.00 0.00 43.02 38.91 1vnd s PHE 16 CO -0.00 -0.98 0.00 2.41 -0.10 0.00 0.00 175.22 176.55 1vnd n THR 17 N 4.65 0.00 0.54 0.64 -1.04 -1.26 -5.04 114.28 112.77 1vnd n THR 17 Ca -0.04 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.09 1vnd n THR 17 Cb 0.41 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 69.37 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 0.00 0.16 0.09 -2.82 -0.00 -1.26 -2.78 118.16 111.56 1vnd n LYS 18 Ca 0.00 0.29 -0.14 0.00 -0.00 0.00 0.00 58.31 58.46 1vnd n LYS 18 Cb 0.00 -1.75 -0.11 0.00 -0.00 0.00 0.00 35.03 33.17 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 2.45 0.20 0.12 0.58 0.00 -1.98 -3.20 119.26 117.42 1vnd h ALA 19 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 54.91 53.82 1vnd h ALA 19 Cb 0.46 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.26 1vnd h ALA 19 CO 0.00 0.95 -1.06 1.96 0.00 0.00 0.00 179.25 181.11 1vnd h GLN 20 N 0.10 0.51 -0.01 0.00 1.08 -1.88 -3.03 115.11 111.89 1vnd h GLN 20 Ca -0.11 -0.70 -0.16 0.00 -1.45 0.00 0.00 58.65 56.23 1vnd h GLN 20 Cb 1.85 0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 29.49 1vnd h GLN 20 CO 0.19 1.31 -0.74 1.79 -0.95 0.00 0.00 178.83 180.42 1vnd h THR 21 N 0.05 1.50 0.06 -0.54 1.35 -1.72 -3.00 112.91 110.62 1vnd h THR 21 Ca -0.17 -2.46 -0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1vnd h THR 21 Cb 1.77 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 70.52 1vnd h THR 21 CO 0.20 0.71 -0.03 0.22 -0.25 0.00 0.00 175.52 176.37 1vnd h TYR 22 N 0.04 -0.07 -0.03 4.73 3.20 -1.62 -3.03 116.97 120.19 1vnd h TYR 22 Ca -0.01 -0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.64 1vnd h TYR 22 Cb 1.31 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.60 1vnd h TYR 22 CO 0.01 0.15 -0.87 0.93 -1.64 0.00 0.00 178.16 176.73 1vnd h GLU 23 N -0.29 0.42 -0.25 1.82 4.39 -1.60 -2.82 114.58 116.24 1vnd h GLU 23 Ca -0.01 -0.41 -0.11 0.00 0.34 0.00 0.00 59.36 59.17 1vnd h GLU 23 Cb 0.26 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1vnd h GLU 23 CO 0.01 1.07 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.61 1vnd h LEU 24 N 0.25 0.66 -0.88 1.33 3.38 -1.64 -2.97 115.31 115.44 1vnd h LEU 24 Ca -0.06 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.31 1vnd h LEU 24 Cb 1.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1vnd h LEU 24 CO 0.15 1.00 -0.49 -0.33 0.09 0.00 0.00 178.44 178.86 1vnd h GLU 25 N 0.33 0.17 0.00 1.13 5.08 -1.65 -2.87 114.58 116.77 1vnd h GLU 25 Ca 0.04 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1vnd h GLU 25 Cb 0.82 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1vnd h GLU 25 CO 0.06 0.62 -0.82 0.07 -1.00 0.00 0.00 179.01 177.95 1vnd h ARG 26 N 0.14 0.00 0.00 2.33 0.11 -1.54 -2.88 114.38 112.54 1vnd h ARG 26 Ca 0.01 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 1vnd h ARG 26 Cb 0.92 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.98 1vnd h ARG 26 CO 0.07 0.82 -0.49 0.00 0.10 0.00 0.00 179.97 180.47 1vnd h ARG 27 N 0.00 0.00 -0.16 0.08 2.47 -1.62 -3.39 114.38 111.76 1vnd h ARG 27 Ca -0.01 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 1vnd h ARG 27 Cb 1.51 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.82 1vnd h ARG 27 CO 0.11 0.49 -0.10 0.35 0.56 0.00 0.00 179.97 181.38 1vnd h PHE 28 N 0.00 0.42 -0.07 3.04 3.57 -1.35 -2.45 116.94 120.09 1vnd h PHE 28 Ca -0.00 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.41 1vnd h PHE 28 Cb 1.26 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 1vnd h PHE 28 CO 0.00 0.69 0.08 0.00 -2.23 0.00 0.00 178.31 176.85 1vnd h ARG 29 N 0.02 0.00 0.00 1.11 2.47 -1.70 -3.05 114.38 113.24 1vnd h ARG 29 Ca 0.03 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.40 1vnd h ARG 29 Cb 0.60 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.85 1vnd h ARG 29 CO 0.03 0.00 -2.25 0.94 0.56 0.00 0.00 179.97 179.25 1vnd n GLN 30 N -3.87 0.68 -3.59 0.04 -0.06 -1.22 -5.06 117.38 104.29 1vnd n GLN 30 Ca -0.01 0.06 -0.09 0.00 -2.00 0.00 0.00 57.00 54.96 1vnd n GLN 30 Cb 0.18 -1.58 -0.05 0.00 -4.06 0.00 0.00 30.24 24.74 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 -2.51 0.48 -0.21 3.69 -2.07 -0.92 -5.07 119.66 113.04 1vnd s GLN 31 Ca -0.10 0.10 0.11 0.00 -1.82 0.00 0.00 55.36 53.65 1vnd s GLN 31 Cb 0.06 0.23 -0.21 0.00 -1.09 0.00 0.00 33.01 32.01 1vnd s GLN 31 CO 0.82 -0.15 -0.05 0.54 -1.32 0.00 0.00 175.29 175.12 1vnd n ARG 32 N 0.64 0.75 -5.09 9.60 1.74 -1.26 -3.89 116.66 119.15 1vnd n ARG 32 Ca -0.08 0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.74 1vnd n ARG 32 Cb 0.58 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.48 2.55 -0.09 -1.55 1.51 -1.26 -4.92 117.35 111.11 1vnd s TYR 33 Ca -0.19 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1vnd s TYR 33 Cb 0.07 -1.62 0.05 0.00 -0.11 0.00 0.00 41.96 40.35 1vnd s TYR 33 CO 0.70 -0.05 0.18 -0.48 -1.11 0.00 0.00 175.55 174.79 1vnd s LEU 34 N -0.36 -0.00 0.64 -1.29 -0.00 -1.26 -5.17 118.68 111.23 1vnd s LEU 34 Ca 0.03 0.39 -0.08 0.00 -0.00 0.00 0.00 54.13 54.47 1vnd s LEU 34 Cb -0.12 0.39 0.01 0.00 -0.00 0.00 0.00 46.19 46.47 1vnd s LEU 34 CO 0.02 -0.23 0.98 -0.94 -0.00 0.00 0.00 176.35 176.18 1vnd s SER 35 N 2.13 5.50 0.31 1.48 1.04 -1.26 -4.60 113.70 118.31 1vnd s SER 35 Ca 0.01 0.86 0.04 0.00 0.48 0.00 0.00 55.95 57.34 1vnd s SER 35 Cb -0.12 -1.76 0.83 0.00 0.10 0.00 0.00 66.02 65.07 1vnd s SER 35 CO -0.06 -1.19 1.59 0.00 0.98 0.00 0.00 173.24 174.55 1vnd h ALA 36 N -0.37 1.33 0.00 5.32 0.00 -2.02 -0.38 119.26 123.14 1vnd h ALA 36 Ca -0.45 0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1vnd h ALA 36 Cb 1.26 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1vnd h ALA 36 CO 0.62 -0.61 -0.58 -1.00 0.00 0.00 0.00 179.25 177.68 1vnd h PRO 37 N 0.04 0.00 0.00 0.00 0.13 -2.00 -3.00 132.00 127.18 1vnd h PRO 37 Ca 0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.76 1vnd h PRO 37 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1vnd h PRO 37 CO -0.85 0.58 -1.35 -0.85 -0.23 0.00 0.00 178.00 175.30 1vnd n GLU 38 N -3.83 0.54 0.12 0.86 0.28 -0.95 -3.89 120.64 113.77 1vnd n GLU 38 Ca -0.01 -0.02 -0.24 0.00 -0.16 0.00 0.00 57.16 56.73 1vnd n GLU 38 Cb 0.59 -1.66 -0.16 0.00 1.43 0.00 0.00 31.44 31.64 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 0.49 0.00 3.44 2.43 -1.12 -3.03 114.38 116.60 1vnd h ARG 39 Ca 0.00 -0.84 0.00 0.00 -0.81 0.00 0.00 59.98 58.33 1vnd h ARG 39 Cb 0.93 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1vnd h ARG 39 CO 0.00 1.40 -0.42 0.93 -1.51 0.00 0.00 179.97 180.38 1vnd h GLU 40 N 0.10 0.00 0.00 0.20 5.08 -1.75 -3.19 114.58 115.02 1vnd h GLU 40 Ca -0.27 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1vnd h GLU 40 Cb 2.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.35 1vnd h GLU 40 CO 0.24 0.00 -0.60 1.25 -1.00 0.00 0.00 179.01 178.90 1vnd h HIS 41 N 0.00 0.00 0.03 4.33 2.76 -1.68 -2.56 115.15 118.03 1vnd h HIS 41 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1vnd h HIS 41 Cb 0.88 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.84 1vnd h HIS 41 CO 0.00 0.43 -0.01 1.25 -1.30 0.00 0.00 177.93 178.29 1vnd h LEU 42 N 0.00 -0.03 -1.35 0.26 7.12 -1.55 -2.64 115.31 117.11 1vnd h LEU 42 Ca -0.03 -0.21 -0.06 0.00 0.13 0.00 0.00 57.88 57.71 1vnd h LEU 42 Cb 1.35 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.48 1vnd h LEU 42 CO 0.05 0.19 -0.17 0.00 -0.13 0.00 0.00 178.44 178.38 1vnd h ALA 43 N 0.70 1.47 0.00 1.25 0.00 -1.61 -2.56 119.26 118.51 1vnd h ALA 43 Ca -0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 1vnd h ALA 43 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1vnd h ALA 43 CO 0.01 0.38 -1.11 0.77 0.00 0.00 0.00 179.25 179.30 1vnd h SER 44 N 0.21 0.00 0.55 0.00 0.02 -1.53 -0.51 113.55 112.29 1vnd h SER 44 Ca 0.04 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.77 1vnd h SER 44 Cb 0.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1vnd h SER 44 CO 0.03 0.71 -0.98 0.25 -1.14 0.00 0.00 176.83 175.69 1vnd h LEU 45 N 0.00 0.36 0.00 5.07 5.85 -1.45 -3.37 115.31 121.77 1vnd h LEU 45 Ca -0.10 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 1vnd h LEU 45 Cb 1.63 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1vnd h LEU 45 CO 0.07 1.15 -1.82 2.30 -0.34 0.00 0.00 178.44 179.81 1vnd n ILE 46 N -3.64 0.19 -1.13 4.05 -5.35 -0.97 -5.07 119.36 107.45 1vnd n ILE 46 Ca -0.05 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1vnd n ILE 46 Cb 0.87 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 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 -2.17 0.00 -1.31 6.28 3.00 -0.83 -4.98 116.66 116.66 1vnd n ARG 47 Ca -0.07 0.38 0.00 0.00 -0.00 0.00 0.00 57.85 58.15 1vnd n ARG 47 Cb 0.54 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.87 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 -0.75 0.00 -4.89 6.15 4.77 -0.26 -4.77 117.00 117.25 1vnd n LEU 48 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1vnd n LEU 48 Cb 0.37 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1vnd n LEU 48 CO 0.00 0.00 -0.11 0.42 -1.33 0.00 0.00 177.39 176.37 1vnd s THR 49 N -1.65 5.38 0.43 -5.08 -4.23 -1.26 -4.63 115.64 104.60 1vnd s THR 49 Ca 0.00 0.05 0.39 0.00 -1.18 0.00 0.00 61.69 60.95 1vnd s THR 49 Cb 0.00 -3.53 0.40 0.00 1.34 0.00 0.00 72.50 70.70 1vnd s THR 49 CO 0.00 0.39 2.20 -0.65 -0.54 0.00 0.00 174.62 176.01 1vnd h PRO 50 N 4.06 0.00 0.02 3.99 0.11 -1.92 -2.97 132.00 135.28 1vnd h PRO 50 Ca -0.50 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.34 1vnd h PRO 50 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1vnd h PRO 50 CO 0.66 0.00 -1.42 0.00 -0.21 0.00 0.00 178.00 177.03 1vnd h THR 51 N 0.00 1.21 0.06 -1.15 1.03 -1.99 -2.95 112.91 109.12 1vnd h THR 51 Ca 0.00 -2.98 -0.26 0.00 -0.01 0.00 0.00 66.41 63.16 1vnd h THR 51 Cb 0.06 2.63 -0.02 0.00 -1.07 0.00 0.00 68.15 69.75 1vnd h THR 51 CO 0.00 0.72 -1.26 0.06 -0.01 0.00 0.00 175.52 175.04 1vnd h GLN 52 N 0.01 0.12 -0.22 0.00 3.07 -1.95 -3.00 115.11 113.14 1vnd h GLN 52 Ca -0.18 -0.20 -0.16 0.00 0.09 0.00 0.00 58.65 58.20 1vnd h GLN 52 Cb 1.92 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 29.55 1vnd h GLN 52 CO 0.11 1.01 -0.50 -0.24 0.09 0.00 0.00 178.83 179.30 1vnd h VAL 53 N 0.03 1.31 -0.32 1.86 3.04 -1.68 -2.31 116.25 118.18 1vnd h VAL 53 Ca -0.12 -1.72 0.03 0.00 -1.01 0.00 0.00 66.70 63.87 1vnd h VAL 53 Cb 1.90 1.68 -0.03 0.00 -2.01 0.00 0.00 31.29 32.83 1vnd h VAL 53 CO 0.15 0.54 0.14 0.50 -1.01 0.00 0.00 177.57 177.89 1vnd h LYS 54 N 0.48 0.28 -0.00 4.17 1.63 -1.60 -2.88 116.57 118.65 1vnd h LYS 54 Ca 0.02 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1vnd h LYS 54 Cb 1.05 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 1vnd h LYS 54 CO 0.10 0.19 -0.13 -0.89 -3.45 0.00 0.00 179.45 175.27 1vnd n ILE 55 N -4.98 0.00 -0.01 2.00 5.41 -1.13 -2.44 119.36 118.21 1vnd n ILE 55 Ca -0.00 -0.05 -0.17 0.00 1.00 0.00 0.00 62.75 63.53 1vnd n ILE 55 Cb 0.09 -0.12 -0.09 0.00 -0.71 0.00 0.00 39.64 38.81 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 0.44 0.81 0.00 1.39 7.01 -1.29 -3.13 115.95 121.18 1vnd h TRP 56 Ca 0.00 -0.39 0.00 0.00 2.11 0.00 0.00 58.89 60.61 1vnd h TRP 56 Cb 0.38 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 1vnd h TRP 56 CO 0.00 1.20 -0.27 1.19 -2.79 0.00 0.00 178.44 177.77 1vnd n PHE 57 N -4.11 0.31 0.10 2.65 3.72 -1.10 -1.84 117.46 117.19 1vnd n PHE 57 Ca -0.09 0.09 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1vnd n PHE 57 Cb 0.70 -0.56 -0.12 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.27 0.12 -1.08 4.15 -1.60 -3.39 115.11 113.58 1vnd h GLN 58 Ca 0.00 -0.43 -0.36 0.00 0.77 0.00 0.00 58.65 58.63 1vnd h GLN 58 Cb 0.60 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 1vnd h GLN 58 CO 0.00 1.19 -1.98 0.09 -1.93 0.00 0.00 178.83 176.20 1vnd n ASN 59 N -3.56 2.12 0.06 -0.69 3.02 -1.18 -4.60 115.26 110.44 1vnd n ASN 59 Ca -0.08 0.21 0.13 0.00 -0.03 0.00 0.00 54.58 54.82 1vnd n ASN 59 Cb 0.99 -0.87 0.47 0.00 -0.61 0.00 0.00 39.78 39.76 1vnd n ASN 59 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1vnd n HIS 60 N -3.52 0.57 -2.93 3.10 -0.00 -0.77 -2.17 115.22 109.51 1vnd n HIS 60 Ca -0.32 0.17 -0.44 0.00 0.46 0.00 0.00 57.72 57.59 1vnd n HIS 60 Cb 1.03 -0.76 -0.00 0.00 -0.12 0.00 0.00 29.99 30.14 1vnd n HIS 60 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1vnd s ARG 61 N -3.07 4.04 -0.42 1.57 1.70 -1.26 -3.15 118.95 118.37 1vnd s ARG 61 Ca 0.12 -2.48 0.08 0.00 -0.47 0.00 0.00 55.73 52.98 1vnd s ARG 61 Cb 0.15 -5.07 0.29 0.00 -0.57 0.00 0.00 34.95 29.75 1vnd s ARG 61 CO 0.58 -1.79 0.77 2.48 -1.08 0.00 0.00 175.30 176.26 1vnd n TYR 62 N 5.85 -1.27 -2.91 5.89 0.18 -1.17 -4.97 117.16 118.75 1vnd n TYR 62 Ca 0.36 -3.01 -0.39 0.00 1.88 0.00 0.00 57.90 56.74 1vnd n TYR 62 Cb 0.43 0.39 -0.00 0.00 -0.38 0.00 0.00 39.34 39.78 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 0.92 4.49 -0.02 -3.48 4.76 -0.92 -4.91 118.16 118.99 1vnd n LYS 63 Ca 0.17 -4.65 0.00 0.00 -2.87 0.00 0.00 58.31 50.96 1vnd n LYS 63 Cb 0.62 -2.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.37 1vnd n LYS 63 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1vnd n THR 64 N 0.59 0.79 -0.43 -0.18 -1.04 -1.23 -4.64 114.28 108.14 1vnd n THR 64 Ca 0.35 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1vnd n THR 64 Cb 0.32 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1vnd n THR 64 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1vnd n LYS 65 N 0.66 0.00 -2.72 -2.82 -0.00 -1.26 -4.87 118.16 107.15 1vnd n LYS 65 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1vnd n LYS 65 Cb 0.38 -0.44 0.01 0.00 -0.00 0.00 0.00 35.03 34.98 1vnd n LYS 65 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1vnd n ARG 66 N 1.52 4.66 -0.47 -1.58 1.85 -1.26 -4.84 116.66 116.53 1vnd n ARG 66 Ca 0.00 -4.35 0.11 0.00 -1.00 0.00 0.00 57.85 52.61 1vnd n ARG 66 Cb 0.10 -2.57 0.34 0.00 -1.05 0.00 0.00 32.46 29.29 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vnd n ALA 67 N 1.31 2.65 -0.31 2.89 0.00 -1.26 -3.01 120.51 122.78 1vnd n ALA 67 Ca 0.37 -1.42 0.09 0.00 0.00 0.00 0.00 53.44 52.48 1vnd n ALA 67 Cb 0.31 -0.97 0.25 0.00 0.00 0.00 0.00 19.45 19.03 1vnd n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vnd n GLN 68 N 1.50 2.85 0.00 0.00 10.64 -1.26 -4.75 117.38 126.36 1vnd n GLN 68 Ca 0.25 -2.40 0.00 0.00 -1.83 0.00 0.00 57.00 53.02 1vnd n GLN 68 Cb 0.73 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.66 1vnd n GLN 68 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1vnd n ASN 69 N 1.08 0.00 -4.67 2.61 5.15 -1.26 -5.12 115.26 113.05 1vnd n ASN 69 Ca 0.19 0.00 -0.56 0.00 -0.60 0.00 0.00 54.58 53.61 1vnd n ASN 69 Cb 0.55 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.73 1vnd n ASN 69 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1vnd n GLU 70 N 0.00 1.23 -1.58 1.20 1.02 -1.16 -3.01 120.64 118.34 1vnd n GLU 70 Ca 0.00 0.44 -0.54 0.00 -0.02 0.00 0.00 57.16 57.03 1vnd n GLU 70 Cb 0.00 -2.19 -0.07 0.00 -0.02 0.00 0.00 31.44 29.15 1vnd n GLU 70 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1vnd n LYS 71 N 5.95 1.13 -1.50 3.49 2.85 -1.26 -4.00 118.16 124.81 1vnd n LYS 71 Ca 0.29 0.37 0.00 0.00 -1.05 0.00 0.00 58.31 57.92 1vnd n LYS 71 Cb 0.15 -2.24 0.00 0.00 -0.65 0.00 0.00 35.03 32.30 1vnd n LYS 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vnd n GLY 72 N 5.35 0.49 0.09 2.58 0.00 -1.16 -5.06 105.19 107.48 1vnd n GLY 72 Ca 0.34 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1vnd n GLY 72 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1vnd h TYR 73 N 0.00 -0.09 -1.94 1.61 3.20 -1.68 -3.38 116.97 114.70 1vnd h TYR 73 Ca 0.00 -0.00 -0.55 0.00 3.14 0.00 0.00 58.73 61.31 1vnd h TYR 73 Cb 0.76 0.03 -0.42 0.00 1.54 0.00 0.00 36.73 38.65 1vnd h TYR 73 CO 0.00 0.39 -0.80 0.39 -1.64 0.00 0.00 178.16 176.51 1vnd n GLU 74 N -4.79 2.77 0.00 1.82 1.02 -1.26 -4.90 120.64 115.29 1vnd n GLU 74 Ca -0.06 -4.41 0.00 0.00 -0.02 0.00 0.00 57.16 52.67 1vnd n GLU 74 Cb 0.26 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.21 -1.58 2.05 0.62 0.00 -1.26 -5.08 105.19 99.74 1vnd n GLY 75 Ca 0.30 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.29 1vnd n GLY 75 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1vnd n HIS 76 N 0.00 -2.76 1.42 1.61 -0.00 -1.26 -4.53 115.22 109.70 1vnd n HIS 76 Ca 0.00 0.65 0.11 0.00 -0.00 0.00 0.00 57.72 58.48 1vnd n HIS 76 Cb 0.00 1.35 0.68 0.00 -0.00 0.00 0.00 29.99 32.02 1vnd n HIS 76 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99