#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 4.16 0.00 0.00 3.41 -1.26 -4.56 113.62 115.36 1vnd n SER 2 Ca 0.00 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 1vnd n SER 2 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1vnd n SER 2 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vnd n ASP 3 N -0.08 0.00 -3.83 4.04 5.75 -1.26 -4.39 116.55 116.78 1vnd n ASP 3 Ca 0.22 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.70 1vnd n ASP 3 Cb 0.89 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.85 1vnd n ASP 3 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1vnd s GLY 4 N -3.48 1.79 -0.22 6.12 0.00 -1.26 -4.50 107.32 105.77 1vnd s GLY 4 Ca 0.00 -2.56 -0.34 0.00 0.00 0.00 0.00 44.72 41.81 1vnd s GLY 4 CO 0.00 1.32 1.24 0.48 0.00 0.00 0.00 173.10 176.14 1vnd s LEU 5 N 0.55 -0.12 -0.31 0.66 0.05 -1.26 -3.58 118.68 114.67 1vnd s LEU 5 Ca 0.15 0.03 -0.25 0.00 0.05 0.00 0.00 54.13 54.11 1vnd s LEU 5 Cb -0.22 1.31 0.00 0.00 -2.05 0.00 0.00 46.19 45.24 1vnd s LEU 5 CO -0.06 -0.18 0.85 -2.16 -0.55 0.00 0.00 176.35 174.25 1vnd s PRO 6 N -2.04 3.97 0.00 1.48 0.04 -1.26 -4.89 135.00 132.30 1vnd s PRO 6 Ca 0.09 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1vnd s PRO 6 Cb -0.01 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1vnd s PRO 6 CO -0.04 -0.74 0.00 -1.71 0.04 0.00 0.00 177.00 174.55 1vnd n ASN 7 N 6.36 0.00 -3.79 6.66 5.15 -1.26 -5.16 115.26 123.22 1vnd n ASN 7 Ca 0.05 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.91 1vnd n ASN 7 Cb 0.48 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.61 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 3.03 0.24 -0.92 1.20 1.02 -1.26 -4.86 119.74 118.19 1vnd s LYS 8 Ca 0.00 0.34 -0.05 0.00 0.02 0.00 0.00 55.97 56.27 1vnd s LYS 8 Cb 0.00 0.08 0.23 0.00 -0.52 0.00 0.00 37.83 37.62 1vnd s LYS 8 CO 0.00 -0.05 0.84 0.15 -0.92 0.00 0.00 175.35 175.36 1vnd s LYS 9 N 0.32 3.51 0.00 1.68 1.02 -1.26 -4.19 119.74 120.82 1vnd s LYS 9 Ca -0.02 -3.08 0.00 0.00 0.02 0.00 0.00 55.97 52.89 1vnd s LYS 9 Cb -0.03 -4.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 1vnd s LYS 9 CO -0.01 -1.25 0.00 0.54 -0.92 0.00 0.00 175.35 173.71 1vnd n ARG 10 N 2.77 0.00 -0.03 1.68 1.74 -1.26 -4.82 116.66 116.74 1vnd n ARG 10 Ca 0.20 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.09 1vnd n ARG 10 Cb 0.39 -0.35 -0.13 0.00 -1.02 0.00 0.00 32.46 31.35 1vnd n ARG 10 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1vnd h LYS 11 N 0.00 0.12 -5.47 5.56 2.10 -2.04 -3.43 116.57 113.42 1vnd h LYS 11 Ca 0.00 -0.21 -0.69 0.00 -2.00 0.00 0.00 60.65 57.75 1vnd h LYS 11 Cb 0.45 0.08 -0.09 0.00 -0.90 0.00 0.00 32.23 31.77 1vnd h LYS 11 CO 0.00 1.10 2.17 0.54 -2.00 0.00 0.00 179.45 181.26 1vnd n ARG 12 N -4.30 3.20 -3.60 0.07 1.74 -1.26 -4.98 116.66 107.53 1vnd n ARG 12 Ca -0.19 -3.30 -0.20 0.00 -0.77 0.00 0.00 57.85 53.39 1vnd n ARG 12 Cb 0.70 -3.40 -0.03 0.00 -1.02 0.00 0.00 32.46 28.71 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1vnd s ARG 13 N 3.67 2.70 0.08 5.56 1.81 -1.26 -4.56 118.95 126.95 1vnd s ARG 13 Ca 0.51 -1.35 0.04 0.00 -1.72 0.00 0.00 55.73 53.21 1vnd s ARG 13 Cb 0.04 -2.50 -0.03 0.00 -0.45 0.00 0.00 34.95 32.01 1vnd s ARG 13 CO 0.05 -0.05 -0.10 0.14 -0.68 0.00 0.00 175.30 174.66 1vnd s VAL 14 N -2.36 0.87 -0.75 3.52 -7.23 -1.26 -4.89 120.40 108.29 1vnd s VAL 14 Ca 0.45 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1vnd s VAL 14 Cb -0.06 -1.13 0.19 0.00 0.56 0.00 0.00 36.38 35.94 1vnd s VAL 14 CO 0.28 -0.46 0.59 -0.76 -0.31 0.00 0.00 175.10 174.44 1vnd s LEU 15 N -2.11 5.26 0.16 1.32 1.43 -1.26 -5.05 118.68 118.44 1vnd s LEU 15 Ca 0.00 -3.41 0.05 0.00 -1.03 0.00 0.00 54.13 49.74 1vnd s LEU 15 Cb -0.06 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1vnd s LEU 15 CO 0.00 -0.23 0.14 -0.36 0.23 0.00 0.00 176.35 176.13 1vnd s PHE 16 N -0.88 3.16 0.56 0.29 0.08 -1.26 -5.16 117.98 114.78 1vnd s PHE 16 Ca 0.23 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.28 1vnd s PHE 16 Cb -0.12 -1.51 0.11 0.00 -0.57 0.00 0.00 43.02 40.92 1vnd s PHE 16 CO -0.09 0.52 0.77 2.41 -0.10 0.00 0.00 175.22 178.73 1vnd n THR 17 N -0.36 0.00 1.78 0.64 -1.04 -1.26 -4.81 114.28 109.23 1vnd n THR 17 Ca -0.08 -1.37 0.10 0.00 -2.04 0.00 0.00 64.05 60.65 1vnd n THR 17 Cb 0.55 -0.87 0.57 0.00 -1.82 0.00 0.00 70.33 68.75 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 -2.38 0.89 -0.07 -2.82 -0.00 -1.26 -1.92 118.16 110.59 1vnd n LYS 18 Ca 0.14 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.26 1vnd n LYS 18 Cb 0.49 -1.34 -0.12 0.00 -0.00 0.00 0.00 35.03 34.06 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 0.00 0.58 0.00 -1.99 -3.37 119.26 118.08 1vnd h ALA 19 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 54.91 53.85 1vnd h ALA 19 Cb 0.00 0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1vnd h ALA 19 CO 0.00 0.43 -0.61 1.96 0.00 0.00 0.00 179.25 181.03 1vnd h GLN 20 N -0.90 0.41 0.00 0.00 1.08 -1.82 -3.03 115.11 110.85 1vnd h GLN 20 Ca -0.20 -0.45 -0.14 0.00 -1.45 0.00 0.00 58.65 56.41 1vnd h GLN 20 Cb 1.25 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.78 1vnd h GLN 20 CO -0.08 1.11 -0.68 1.79 -0.95 0.00 0.00 178.83 180.01 1vnd h THR 21 N -0.10 1.39 -0.01 -0.54 1.35 -1.66 -3.01 112.91 110.33 1vnd h THR 21 Ca -0.08 -2.42 -0.00 0.00 -0.55 0.00 0.00 66.41 63.36 1vnd h THR 21 Cb 1.33 2.34 -0.00 0.00 -1.73 0.00 0.00 68.15 70.09 1vnd h THR 21 CO 0.12 0.67 0.00 0.22 -0.25 0.00 0.00 175.52 176.28 1vnd h TYR 22 N 0.00 0.02 -0.13 4.73 3.20 -1.72 -3.02 116.97 120.04 1vnd h TYR 22 Ca -0.01 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 1vnd h TYR 22 Cb 1.29 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.55 1vnd h TYR 22 CO 0.00 0.32 -0.70 0.93 -1.64 0.00 0.00 178.16 177.07 1vnd h GLU 23 N -0.29 0.57 -0.28 1.82 4.39 -1.58 -2.83 114.58 116.37 1vnd h GLU 23 Ca 0.00 -0.43 -0.14 0.00 0.34 0.00 0.00 59.36 59.13 1vnd h GLU 23 Cb 0.31 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1vnd h GLU 23 CO 0.00 1.06 -0.38 -0.07 -1.16 0.00 0.00 179.01 178.46 1vnd h LEU 24 N 0.40 0.82 -0.70 1.33 3.38 -1.64 -3.02 115.31 115.88 1vnd h LEU 24 Ca -0.03 -0.50 -0.14 0.00 0.09 0.00 0.00 57.88 57.30 1vnd h LEU 24 Cb 1.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1vnd h LEU 24 CO 0.13 1.16 -0.58 -0.33 0.09 0.00 0.00 178.44 178.91 1vnd h GLU 25 N 0.51 0.23 -0.01 1.13 4.39 -1.64 -2.89 114.58 116.30 1vnd h GLU 25 Ca 0.03 -0.15 -0.24 0.00 0.34 0.00 0.00 59.36 59.35 1vnd h GLU 25 Cb 0.97 0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1vnd h GLU 25 CO 0.09 0.74 -0.91 0.07 -1.16 0.00 0.00 179.01 177.84 1vnd h ARG 26 N 0.17 0.63 -0.13 2.33 0.11 -1.55 -2.95 114.38 112.99 1vnd h ARG 26 Ca -0.00 -0.67 0.00 0.00 0.10 0.00 0.00 59.98 59.41 1vnd h ARG 26 Cb 1.07 0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1vnd h ARG 26 CO 0.09 1.27 0.00 2.89 0.10 0.00 0.00 179.97 184.32 1vnd n ARG 27 N -3.96 1.49 0.11 0.08 1.85 -1.14 -3.01 116.66 112.08 1vnd n ARG 27 Ca -0.11 -0.74 -0.22 0.00 -1.00 0.00 0.00 57.85 55.79 1vnd n ARG 27 Cb 0.82 -1.32 -0.15 0.00 -1.05 0.00 0.00 32.46 30.76 1vnd n ARG 27 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1vnd h PHE 28 N 1.43 0.76 0.13 2.89 3.57 -1.50 -3.35 116.94 120.87 1vnd h PHE 28 Ca 0.00 -0.55 -0.29 0.00 3.53 0.00 0.00 57.97 60.66 1vnd h PHE 28 Cb 0.32 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 39.05 1vnd h PHE 28 CO 0.09 1.54 -1.24 0.00 -2.23 0.00 0.00 178.31 176.47 1vnd h ARG 29 N 0.11 0.51 0.00 1.11 2.47 -1.48 -3.36 114.38 113.74 1vnd h ARG 29 Ca -0.27 -0.72 -0.15 0.00 -1.26 0.00 0.00 59.98 57.59 1vnd h ARG 29 Cb 2.10 0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 30.64 1vnd h ARG 29 CO 0.22 1.32 -1.35 0.94 0.56 0.00 0.00 179.97 181.65 1vnd n GLN 30 N -3.72 0.62 -3.56 0.04 -0.06 -1.16 -4.98 117.38 104.55 1vnd n GLN 30 Ca -0.12 0.21 -0.16 0.00 -2.00 0.00 0.00 57.00 54.93 1vnd n GLN 30 Cb 0.99 -1.81 -0.06 0.00 -4.06 0.00 0.00 30.24 25.30 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 1.01 -0.17 3.69 -2.07 -1.26 -5.07 119.66 112.81 1vnd s GLN 31 Ca -0.03 -0.00 0.05 0.00 -1.82 0.00 0.00 55.36 53.56 1vnd s GLN 31 Cb 0.09 0.47 -0.14 0.00 -1.09 0.00 0.00 33.01 32.34 1vnd s GLN 31 CO 0.81 -0.34 -0.10 0.54 -1.32 0.00 0.00 175.29 174.88 1vnd n ARG 32 N 0.73 0.79 0.14 9.60 1.74 -1.26 -4.00 116.66 124.39 1vnd n ARG 32 Ca -0.19 0.08 0.11 0.00 -0.77 0.00 0.00 57.85 57.08 1vnd n ARG 32 Cb 0.58 -1.37 0.06 0.00 -1.02 0.00 0.00 32.46 30.71 1vnd n ARG 32 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1vnd h TYR 33 N 0.00 0.00 0.00 -1.55 0.05 -1.98 -3.49 116.97 110.01 1vnd h TYR 33 Ca -0.41 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 57.95 1vnd h TYR 33 Cb 1.71 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.40 1vnd h TYR 33 CO 0.02 0.02 1.10 1.47 -1.05 0.00 0.00 178.16 179.71 1vnd n LEU 34 N -2.84 0.34 -4.98 3.88 -0.00 -1.26 -4.96 117.00 107.18 1vnd n LEU 34 Ca 0.01 0.27 -0.21 0.00 -0.00 0.00 0.00 56.01 56.09 1vnd n LEU 34 Cb 0.55 -0.63 0.03 0.00 -0.00 0.00 0.00 43.42 43.37 1vnd n LEU 34 CO 0.38 -0.52 0.33 -0.94 -0.00 0.00 0.00 177.39 176.65 1vnd s SER 35 N 5.38 5.36 0.41 1.45 1.04 -1.26 -4.61 113.70 121.48 1vnd s SER 35 Ca 0.90 -0.03 0.22 0.00 0.48 0.00 0.00 55.95 57.52 1vnd s SER 35 Cb -0.95 -0.90 1.21 0.00 0.10 0.00 0.00 66.02 65.48 1vnd s SER 35 CO 0.39 -1.06 1.72 0.00 0.98 0.00 0.00 173.24 175.27 1vnd h ALA 36 N 0.16 2.40 -0.03 5.32 0.00 -1.96 0.37 119.26 125.51 1vnd h ALA 36 Ca -0.42 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1vnd h ALA 36 Cb 1.29 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1vnd h ALA 36 CO 0.52 -0.87 -0.34 -1.35 0.00 0.00 0.00 179.25 177.21 1vnd h PRO 37 N 0.29 0.06 0.00 0.00 0.11 -1.99 -2.99 132.00 127.47 1vnd h PRO 37 Ca 0.66 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.69 1vnd h PRO 37 Cb 1.85 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.94 1vnd h PRO 37 CO -0.34 0.40 -1.84 -0.85 -0.21 0.00 0.00 178.00 175.17 1vnd n GLU 38 N -4.12 0.70 0.11 1.05 0.28 -0.87 -4.15 120.64 113.64 1vnd n GLU 38 Ca -0.02 -0.12 -0.20 0.00 -0.16 0.00 0.00 57.16 56.66 1vnd n GLU 38 Cb 0.39 -1.40 -0.15 0.00 1.43 0.00 0.00 31.44 31.71 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 0.37 0.00 3.44 2.43 -1.04 -3.02 114.38 116.56 1vnd h ARG 39 Ca -0.09 -0.64 -0.04 0.00 -0.81 0.00 0.00 59.98 58.41 1vnd h ARG 39 Cb 1.02 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1vnd h ARG 39 CO 0.00 1.29 -0.40 0.93 -1.51 0.00 0.00 179.97 180.29 1vnd h GLU 40 N 0.10 0.00 0.00 0.20 4.39 -1.76 -3.03 114.58 114.48 1vnd h GLU 40 Ca -0.20 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.38 1vnd h GLU 40 Cb 2.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.69 1vnd h GLU 40 CO 0.22 0.14 -0.67 1.25 -1.16 0.00 0.00 179.01 178.79 1vnd h HIS 41 N 0.00 0.00 -0.18 4.33 2.76 -1.72 -2.67 115.15 117.67 1vnd h HIS 41 Ca -0.01 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.99 1vnd h HIS 41 Cb 1.13 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.09 1vnd h HIS 41 CO 0.00 0.53 -0.60 1.25 -1.30 0.00 0.00 177.93 177.82 1vnd h LEU 42 N 0.00 0.67 -0.31 0.26 7.12 -1.55 -2.54 115.31 118.96 1vnd h LEU 42 Ca -0.03 -0.38 -0.12 0.00 0.13 0.00 0.00 57.88 57.49 1vnd h LEU 42 Cb 1.43 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.35 1vnd h LEU 42 CO 0.07 1.11 -0.57 0.00 -0.13 0.00 0.00 178.44 178.92 1vnd h ALA 43 N 0.89 0.72 0.00 1.25 0.00 -1.51 -2.19 119.26 118.42 1vnd h ALA 43 Ca -0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.17 1vnd h ALA 43 Cb 1.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1vnd h ALA 43 CO 0.11 0.71 -1.25 0.77 0.00 0.00 0.00 179.25 179.59 1vnd h SER 44 N 0.00 0.00 0.41 0.00 0.02 -1.56 -0.83 113.55 111.59 1vnd h SER 44 Ca -0.01 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 1vnd h SER 44 Cb 1.30 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.85 1vnd h SER 44 CO 0.07 0.87 -1.07 0.25 -1.14 0.00 0.00 176.83 175.81 1vnd h LEU 45 N 0.00 0.53 0.00 5.07 5.85 -1.47 -3.36 115.31 121.93 1vnd h LEU 45 Ca -0.13 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 1vnd h LEU 45 Cb 1.78 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1vnd h LEU 45 CO 0.09 1.31 -1.99 2.30 -0.34 0.00 0.00 178.44 179.81 1vnd n ILE 46 N -3.68 0.21 -1.26 4.05 -5.35 -0.83 -5.06 119.36 107.44 1vnd n ILE 46 Ca -0.08 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1vnd n ILE 46 Cb 0.91 -0.05 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 -2.29 0.00 -2.73 6.28 3.00 -0.91 -4.98 116.66 115.04 1vnd n ARG 47 Ca -0.08 0.26 -0.07 0.00 -0.00 0.00 0.00 57.85 57.96 1vnd n ARG 47 Cb 0.62 -1.26 -0.02 0.00 0.00 0.00 0.00 32.46 31.80 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 -1.00 0.00 -4.85 6.15 4.77 -0.36 -5.04 117.00 116.66 1vnd n LEU 48 Ca 0.00 -1.00 -0.34 0.00 -0.03 0.00 0.00 56.01 54.64 1vnd n LEU 48 Cb 0.42 0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.90 1vnd n LEU 48 CO 0.00 -0.16 0.24 0.42 -1.33 0.00 0.00 177.39 176.56 1vnd s THR 49 N -2.26 4.86 0.63 -5.08 -4.23 -1.26 -4.66 115.64 103.65 1vnd s THR 49 Ca 0.10 0.76 0.36 0.00 -1.18 0.00 0.00 61.69 61.72 1vnd s THR 49 Cb 0.00 -3.71 0.39 0.00 1.34 0.00 0.00 72.50 70.53 1vnd s THR 49 CO 0.07 0.16 2.22 -0.65 -0.54 0.00 0.00 174.62 175.88 1vnd h PRO 50 N 3.28 0.00 0.00 3.99 0.11 -1.96 -3.04 132.00 134.38 1vnd h PRO 50 Ca -0.48 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.39 1vnd h PRO 50 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1vnd h PRO 50 CO 0.66 0.00 -1.52 0.00 -0.21 0.00 0.00 178.00 176.93 1vnd h THR 51 N 0.00 0.76 0.04 -1.15 1.03 -1.98 -3.01 112.91 108.61 1vnd h THR 51 Ca 0.02 -2.46 -0.25 0.00 -0.01 0.00 0.00 66.41 63.71 1vnd h THR 51 Cb 0.21 2.29 -0.02 0.00 -1.07 0.00 0.00 68.15 69.56 1vnd h THR 51 CO -0.00 0.43 -1.24 0.06 -0.01 0.00 0.00 175.52 174.76 1vnd h GLN 52 N 0.00 0.08 -0.24 0.00 3.07 -1.76 -3.00 115.11 113.26 1vnd h GLN 52 Ca -0.22 -0.14 -0.13 0.00 0.09 0.00 0.00 58.65 58.26 1vnd h GLN 52 Cb 1.82 0.05 -0.00 0.00 0.08 0.00 0.00 27.48 29.43 1vnd h GLN 52 CO 0.07 0.97 -0.34 -0.24 0.09 0.00 0.00 178.83 179.37 1vnd h VAL 53 N 0.02 1.32 -0.23 1.86 3.04 -1.68 -2.42 116.25 118.16 1vnd h VAL 53 Ca -0.11 -1.54 0.04 0.00 -1.01 0.00 0.00 66.70 64.08 1vnd h VAL 53 Cb 1.88 1.74 -0.04 0.00 -2.01 0.00 0.00 31.29 32.86 1vnd h VAL 53 CO 0.14 0.48 -0.03 0.50 -1.01 0.00 0.00 177.57 177.65 1vnd h LYS 54 N 0.36 0.03 -0.00 4.17 3.11 -1.64 -2.97 116.57 119.62 1vnd h LYS 54 Ca 0.02 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1vnd h LYS 54 Cb 0.93 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.15 1vnd h LYS 54 CO 0.08 0.02 -0.27 -0.89 -2.81 0.00 0.00 179.45 175.58 1vnd n ILE 55 N -5.18 0.00 0.01 2.00 5.41 -1.13 -2.55 119.36 117.91 1vnd n ILE 55 Ca -0.02 -0.08 -0.18 0.00 1.00 0.00 0.00 62.75 63.47 1vnd n ILE 55 Cb 0.13 0.22 -0.10 0.00 -0.71 0.00 0.00 39.64 39.17 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 0.72 0.83 0.00 1.39 7.01 -1.38 -3.18 115.95 121.35 1vnd h TRP 56 Ca 0.00 -0.44 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1vnd h TRP 56 Cb 0.47 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1vnd h TRP 56 CO 0.00 1.26 -0.17 1.19 -2.79 0.00 0.00 178.44 177.93 1vnd n PHE 57 N -4.05 0.71 0.03 2.65 3.72 -1.13 -2.56 117.46 116.83 1vnd n PHE 57 Ca -0.10 0.21 -0.19 0.00 -0.05 0.00 0.00 57.45 57.31 1vnd n PHE 57 Cb 0.75 -0.80 -0.12 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.46 0.00 -1.08 4.15 -1.61 -3.38 115.11 113.65 1vnd h GLN 58 Ca 0.00 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 58.86 1vnd h GLN 58 Cb 0.70 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.57 1vnd h GLN 58 CO 0.00 1.20 -1.15 0.09 -1.93 0.00 0.00 178.83 177.04 1vnd n ASN 59 N -4.09 0.57 0.07 -0.69 3.02 -1.20 -3.98 115.26 108.96 1vnd n ASN 59 Ca -0.12 -0.14 -0.07 0.00 -0.03 0.00 0.00 54.58 54.22 1vnd n ASN 59 Cb 0.78 0.92 -0.07 0.00 -0.61 0.00 0.00 39.78 40.79 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 0.04 -0.55 3.10 3.86 -1.70 -3.35 115.15 116.55 1vnd h HIS 60 Ca 0.00 -0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 58.86 1vnd h HIS 60 Cb 0.79 -0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.14 1vnd h HIS 60 CO 0.00 0.96 0.18 2.89 0.86 0.00 0.00 177.93 182.81 1vnd n ARG 61 N -3.44 1.99 0.00 2.45 1.85 -1.26 -4.78 116.66 113.48 1vnd n ARG 61 Ca -0.01 -1.57 0.00 0.00 -1.00 0.00 0.00 57.85 55.27 1vnd n ARG 61 Cb 0.89 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 1vnd n ARG 61 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1vnd n TYR 62 N 1.18 0.00 -3.13 2.89 4.02 -1.26 -5.02 117.16 115.84 1vnd n TYR 62 Ca 0.37 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 58.04 1vnd n TYR 62 Cb 0.64 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.90 1vnd n TYR 62 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1vnd n LYS 63 N 0.00 0.72 -3.59 -0.72 4.01 -1.26 -5.08 118.16 112.24 1vnd n LYS 63 Ca 0.00 -3.00 -0.40 0.00 -0.51 0.00 0.00 58.31 54.40 1vnd n LYS 63 Cb 0.00 -1.25 -0.10 0.00 -0.51 0.00 0.00 35.03 33.17 1vnd n LYS 63 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1vnd s THR 64 N -0.89 4.29 0.00 -0.18 -4.23 -1.26 -5.00 115.64 108.37 1vnd s THR 64 Ca 0.35 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1vnd s THR 64 Cb 0.18 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 1vnd s THR 64 CO -0.13 -0.52 1.42 2.29 -0.54 0.00 0.00 174.62 177.14 1vnd n LYS 65 N 4.93 0.71 -4.16 3.99 2.85 -1.26 -4.88 118.16 120.34 1vnd n LYS 65 Ca -0.10 -0.14 -0.29 0.00 -1.05 0.00 0.00 58.31 56.72 1vnd n LYS 65 Cb 0.43 -1.36 -0.08 0.00 -0.65 0.00 0.00 35.03 33.37 1vnd n LYS 65 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1vnd s ARG 66 N 1.11 2.41 -1.03 -1.58 3.52 -1.26 -5.07 118.95 117.05 1vnd s ARG 66 Ca 0.09 -0.93 -0.18 0.00 -0.13 0.00 0.00 55.73 54.58 1vnd s ARG 66 Cb 0.05 -2.45 0.13 0.00 -1.56 0.00 0.00 34.95 31.11 1vnd s ARG 66 CO 0.00 0.52 1.28 0.00 -0.81 0.00 0.00 175.30 176.29 1vnd s ALA 67 N -1.35 3.44 -0.45 6.12 0.00 -1.26 -4.91 121.76 123.34 1vnd s ALA 67 Ca 0.25 -2.86 -0.10 0.00 0.00 0.00 0.00 51.96 49.25 1vnd s ALA 67 Cb -0.11 -4.17 0.09 0.00 0.00 0.00 0.00 23.12 18.94 1vnd s ALA 67 CO 0.17 -3.03 0.32 -0.65 0.00 0.00 0.00 175.76 172.56 1vnd s GLN 68 N 2.80 2.62 -0.41 0.00 -0.21 -1.26 -4.95 119.66 118.25 1vnd s GLN 68 Ca 0.38 -1.57 0.07 0.00 0.02 0.00 0.00 55.36 54.26 1vnd s GLN 68 Cb -0.03 -3.89 0.22 0.00 1.00 0.00 0.00 33.01 30.31 1vnd s GLN 68 CO -0.06 -1.07 0.51 -1.71 -2.12 0.00 0.00 175.29 170.85 1vnd n ASN 69 N 4.96 -0.45 -4.74 5.90 5.15 -1.26 -4.48 115.26 120.35 1vnd n ASN 69 Ca -0.10 -2.67 -0.41 0.00 -0.60 0.00 0.00 54.58 50.80 1vnd n ASN 69 Cb 0.42 -0.29 -0.05 0.00 -0.53 0.00 0.00 39.78 39.34 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1vnd s GLU 70 N -0.58 4.70 0.05 1.20 -1.05 -1.26 -5.00 118.70 116.76 1vnd s GLU 70 Ca 0.34 1.54 -0.31 0.00 -0.15 0.00 0.00 54.97 56.39 1vnd s GLU 70 Cb 0.13 -3.33 -0.06 0.00 -0.44 0.00 0.00 34.13 30.43 1vnd s GLU 70 CO -0.14 0.24 1.30 0.15 0.95 0.00 0.00 175.26 177.75 1vnd s LYS 71 N -0.35 4.36 0.00 -4.83 -0.14 -1.26 -4.01 119.74 113.51 1vnd s LYS 71 Ca 0.46 1.90 0.00 0.00 -1.36 0.00 0.00 55.97 56.97 1vnd s LYS 71 Cb -0.26 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 1vnd s LYS 71 CO 0.32 -0.40 0.00 0.41 -0.76 0.00 0.00 175.35 174.91 1vnd n GLY 72 N 3.41 0.84 3.24 -3.33 0.00 -1.26 -5.10 105.19 102.99 1vnd n GLY 72 Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1vnd n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vnd s TYR 73 N -2.99 -0.68 -1.05 1.61 2.02 -1.26 -5.09 117.35 109.92 1vnd s TYR 73 Ca 0.00 1.37 -0.03 0.00 -0.37 0.00 0.00 57.07 58.04 1vnd s TYR 73 Cb 0.00 0.25 0.31 0.00 -0.40 0.00 0.00 41.96 42.13 1vnd s TYR 73 CO 0.00 -0.41 1.60 0.39 -1.57 0.00 0.00 175.55 175.56 1vnd n GLU 74 N 4.90 4.82 -0.44 -0.62 1.02 -1.26 -4.87 120.64 124.19 1vnd n GLU 74 Ca -0.15 -4.61 0.00 0.00 -0.02 0.00 0.00 57.16 52.38 1vnd n GLU 74 Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 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 0.74 -0.36 3.13 0.62 0.00 -1.26 -5.08 105.19 102.98 1vnd n GLY 75 Ca 0.34 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.88 3.45 -2.00 1.61 -3.43 -1.26 -4.76 115.29 105.02 1vnd s HIS 76 Ca 0.00 -2.22 0.28 0.00 -0.80 0.00 0.00 55.06 52.32 1vnd s HIS 76 Cb 0.00 -2.61 1.67 0.00 -1.43 0.00 0.00 32.58 30.20 1vnd s HIS 76 CO 0.00 -0.89 2.01 -0.35 -2.00 0.00 0.00 174.74 173.51