#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 0.14 -3.51 0.00 7.64 -1.26 -4.08 113.62 112.55 1vnd n SER 2 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1vnd n SER 2 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 -4.58 3.21 0.00 6.43 2.15 -1.26 -4.85 116.67 117.77 1vnd s ASP 3 Ca 0.00 -1.90 0.00 0.00 0.43 0.00 0.00 52.55 51.08 1vnd s ASP 3 Cb 0.00 -0.42 0.00 0.00 -0.30 0.00 0.00 42.92 42.20 1vnd s ASP 3 CO 0.00 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 1vnd n GLY 4 N 4.44 -0.88 3.43 2.66 0.00 -1.26 -5.17 105.19 108.41 1vnd n GLY 4 Ca 0.06 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 2.58 -0.21 0.99 1.43 -1.26 -4.69 118.68 117.52 1vnd s LEU 5 Ca 0.00 -1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 51.75 1vnd s LEU 5 Cb 0.00 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.34 1vnd s LEU 5 CO 0.00 -0.11 0.97 -2.16 0.23 0.00 0.00 176.35 175.28 1vnd s PRO 6 N -3.59 4.26 -0.22 1.29 0.04 -1.26 -2.51 135.00 133.01 1vnd s PRO 6 Ca 0.28 1.24 0.13 0.00 0.04 0.00 0.00 61.00 62.69 1vnd s PRO 6 Cb -0.02 -3.63 0.48 0.00 0.04 0.00 0.00 34.50 31.38 1vnd s PRO 6 CO 0.12 -0.55 1.39 0.27 0.04 0.00 0.00 177.00 178.27 1vnd n ASN 7 N 6.02 2.93 0.00 6.66 6.94 -1.26 -4.33 115.26 132.21 1vnd n ASN 7 Ca 0.10 -3.40 0.00 0.00 -0.02 0.00 0.00 54.58 51.25 1vnd n ASN 7 Cb 0.47 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 1vnd n ASN 7 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1vnd n LYS 8 N -0.95 0.00 -0.85 -3.83 2.85 -1.26 -5.01 118.16 109.11 1vnd n LYS 8 Ca 0.25 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.51 1vnd n LYS 8 Cb 0.90 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.28 1vnd n LYS 8 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1vnd n LYS 9 N 0.00 0.00 -0.25 -1.58 5.02 -1.26 -4.48 118.16 115.61 1vnd n LYS 9 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1vnd n LYS 9 Cb 0.18 -2.26 0.04 0.00 -0.02 0.00 0.00 35.03 32.98 1vnd n LYS 9 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1vnd n ARG 10 N -2.24 0.68 -3.56 1.97 0.63 -1.26 -4.97 116.66 107.91 1vnd n ARG 10 Ca 0.00 -1.46 -0.16 0.00 -0.92 0.00 0.00 57.85 55.31 1vnd n ARG 10 Cb 0.00 -0.85 -0.06 0.00 0.45 0.00 0.00 32.46 31.99 1vnd n ARG 10 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1vnd s LYS 11 N -0.98 0.93 -0.21 -0.14 -2.85 -1.26 -4.94 119.74 110.29 1vnd s LYS 11 Ca 0.10 0.45 0.09 0.00 -1.00 0.00 0.00 55.97 55.61 1vnd s LYS 11 Cb 0.09 0.44 -0.19 0.00 -2.06 0.00 0.00 37.83 36.10 1vnd s LYS 11 CO 0.01 -0.24 -0.07 -2.13 0.10 0.00 0.00 175.35 173.02 1vnd n ARG 12 N 1.40 0.79 0.05 1.78 3.00 -1.26 -4.20 116.66 118.22 1vnd n ARG 12 Ca -0.16 0.06 0.01 0.00 -0.00 0.00 0.00 57.85 57.75 1vnd n ARG 12 Cb 0.57 -1.47 0.04 0.00 0.00 0.00 0.00 32.46 31.59 1vnd n ARG 12 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1vnd n ARG 13 N -2.93 0.01 -4.89 -0.14 0.00 -1.26 -4.44 116.66 103.00 1vnd n ARG 13 Ca -0.36 0.23 -0.30 0.00 -0.00 0.00 0.00 57.85 57.42 1vnd n ARG 13 Cb 1.03 -1.97 -0.17 0.00 -0.00 0.00 0.00 32.46 31.35 1vnd n ARG 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1vnd s VAL 14 N -2.49 1.80 -0.04 8.89 -7.23 -1.26 -5.13 120.40 114.95 1vnd s VAL 14 Ca -0.00 -0.85 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 1vnd s VAL 14 Cb 0.00 -1.58 0.03 0.00 0.56 0.00 0.00 36.38 35.39 1vnd s VAL 14 CO 0.01 0.50 0.03 -0.76 -0.31 0.00 0.00 175.10 174.57 1vnd s LEU 15 N 0.58 0.73 0.26 1.32 1.43 -1.26 -4.77 118.68 116.97 1vnd s LEU 15 Ca -0.14 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1vnd s LEU 15 Cb -0.17 -0.19 -0.08 0.00 0.03 0.00 0.00 46.19 45.78 1vnd s LEU 15 CO 0.05 -0.17 0.64 -0.36 0.23 0.00 0.00 176.35 176.74 1vnd s PHE 16 N 1.53 3.44 0.29 0.29 0.08 -1.26 -5.12 117.98 117.23 1vnd s PHE 16 Ca -0.03 1.08 0.03 0.00 0.12 0.00 0.00 56.93 58.14 1vnd s PHE 16 Cb -0.13 -2.42 0.03 0.00 -0.57 0.00 0.00 43.02 39.94 1vnd s PHE 16 CO -0.03 0.21 0.28 2.41 -0.10 0.00 0.00 175.22 178.00 1vnd n THR 17 N -0.08 0.00 1.20 0.64 -1.04 -1.26 -4.93 114.28 108.82 1vnd n THR 17 Ca 0.01 -1.06 0.03 0.00 -2.04 0.00 0.00 64.05 60.99 1vnd n THR 17 Cb 0.53 -0.44 0.09 0.00 -1.82 0.00 0.00 70.33 68.68 1vnd n THR 17 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vnd n LYS 18 N -1.34 1.56 -0.07 -2.82 5.02 -1.26 -2.08 118.16 117.18 1vnd n LYS 18 Ca 0.02 -0.70 -0.19 0.00 -2.02 0.00 0.00 58.31 55.42 1vnd n LYS 18 Cb 0.31 -1.27 -0.13 0.00 -0.02 0.00 0.00 35.03 33.93 1vnd n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vnd h ALA 19 N 3.16 0.15 -0.07 7.82 0.00 -1.96 -3.36 119.26 125.00 1vnd h ALA 19 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 54.91 53.89 1vnd h ALA 19 Cb 0.39 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1vnd h ALA 19 CO 0.03 0.46 -0.34 1.96 0.00 0.00 0.00 179.25 181.36 1vnd h GLN 20 N -0.87 0.35 0.00 0.00 1.08 -1.86 -3.02 115.11 110.79 1vnd h GLN 20 Ca -0.21 -0.29 -0.11 0.00 -1.45 0.00 0.00 58.65 56.59 1vnd h GLN 20 Cb 1.28 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.75 1vnd h GLN 20 CO -0.08 0.93 -0.54 1.79 -0.95 0.00 0.00 178.83 179.98 1vnd h THR 21 N -0.14 1.20 0.01 -0.54 1.35 -1.69 -3.01 112.91 110.09 1vnd h THR 21 Ca -0.02 -1.98 -0.00 0.00 -0.55 0.00 0.00 66.41 63.85 1vnd h THR 21 Cb 0.99 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1vnd h THR 21 CO 0.07 0.53 -0.01 0.22 -0.25 0.00 0.00 175.52 176.08 1vnd h TYR 22 N 0.00 -0.02 -0.05 4.73 3.20 -1.70 -3.02 116.97 120.11 1vnd h TYR 22 Ca -0.01 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 1vnd h TYR 22 Cb 1.08 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1vnd h TYR 22 CO 0.00 0.30 -0.77 0.93 -1.64 0.00 0.00 178.16 176.97 1vnd h GLU 23 N -0.34 0.33 -0.23 1.82 4.39 -1.57 -2.82 114.58 116.15 1vnd h GLU 23 Ca -0.00 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.30 1vnd h GLU 23 Cb 0.32 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1vnd h GLU 23 CO 0.00 0.95 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.46 1vnd h LEU 24 N 0.21 0.65 -0.81 1.33 3.38 -1.64 -2.86 115.31 115.56 1vnd h LEU 24 Ca -0.04 -0.49 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 1vnd h LEU 24 Cb 1.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1vnd h LEU 24 CO 0.13 1.01 -0.41 -0.33 0.09 0.00 0.00 178.44 178.92 1vnd h GLU 25 N 0.30 0.38 0.00 1.13 4.39 -1.64 -3.08 114.58 116.07 1vnd h GLU 25 Ca 0.03 -0.19 -0.16 0.00 0.34 0.00 0.00 59.36 59.38 1vnd h GLU 25 Cb 0.84 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1vnd h GLU 25 CO 0.07 0.74 -0.76 0.07 -1.16 0.00 0.00 179.01 177.96 1vnd h ARG 26 N 0.32 0.00 -0.01 2.33 0.11 -1.55 -3.11 114.38 112.47 1vnd h ARG 26 Ca 0.03 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.94 1vnd h ARG 26 Cb 0.87 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.93 1vnd h ARG 26 CO 0.07 0.73 -0.76 0.00 0.10 0.00 0.00 179.97 180.11 1vnd h ARG 27 N 0.00 0.11 -0.49 0.08 2.47 -1.61 -3.36 114.38 111.58 1vnd h ARG 27 Ca -0.01 -0.11 -0.13 0.00 -1.26 0.00 0.00 59.98 58.47 1vnd h ARG 27 Cb 1.57 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.91 1vnd h ARG 27 CO 0.09 0.82 -0.21 0.35 0.56 0.00 0.00 179.97 181.59 1vnd h PHE 28 N 0.07 1.16 0.00 3.04 3.57 -1.49 -1.55 116.94 121.74 1vnd h PHE 28 Ca -0.02 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 1vnd h PHE 28 Cb 1.34 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1vnd h PHE 28 CO 0.01 1.11 -0.05 0.00 -2.23 0.00 0.00 178.31 177.15 1vnd h ARG 29 N 0.87 0.00 0.01 1.11 2.47 -1.70 -3.29 114.38 113.86 1vnd h ARG 29 Ca 0.11 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.47 1vnd h ARG 29 Cb 0.79 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.05 1vnd h ARG 29 CO 0.07 0.05 -2.30 1.04 0.56 0.00 0.00 179.97 179.39 1vnd n GLN 30 N -3.16 0.68 -3.53 0.04 1.13 -1.19 -5.06 117.38 106.29 1vnd n GLN 30 Ca 0.01 0.09 -0.16 0.00 -1.94 0.00 0.00 57.00 55.01 1vnd n GLN 30 Cb 0.37 -1.57 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 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 -2.52 0.93 -0.17 -1.09 -2.07 -0.59 -5.07 119.66 109.09 1vnd s GLN 31 Ca -0.17 0.20 0.08 0.00 -1.82 0.00 0.00 55.36 53.65 1vnd s GLN 31 Cb 0.07 0.44 -0.16 0.00 -1.09 0.00 0.00 33.01 32.27 1vnd s GLN 31 CO 0.76 -0.30 -0.05 0.54 -1.32 0.00 0.00 175.29 174.93 1vnd n ARG 32 N 0.81 1.09 0.10 9.60 5.12 -1.26 -3.94 116.66 128.18 1vnd n ARG 32 Ca -0.16 0.04 0.12 0.00 -1.93 0.00 0.00 57.85 55.92 1vnd n ARG 32 Cb 0.58 -1.38 0.16 0.00 -1.16 0.00 0.00 32.46 30.66 1vnd n ARG 32 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1vnd h TYR 33 N 0.00 0.00 0.00 -1.55 0.05 -1.97 -3.49 116.97 110.00 1vnd h TYR 33 Ca -0.41 0.00 -0.51 0.00 0.05 0.00 0.00 58.73 57.86 1vnd h TYR 33 Cb 1.80 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.51 1vnd h TYR 33 CO 0.01 0.00 0.93 1.47 -1.05 0.00 0.00 178.16 179.52 1vnd n LEU 34 N -2.42 0.48 -5.01 3.88 -0.00 -1.26 -4.99 117.00 107.69 1vnd n LEU 34 Ca 0.03 0.43 -0.17 0.00 -0.00 0.00 0.00 56.01 56.30 1vnd n LEU 34 Cb 0.48 -0.62 0.01 0.00 -0.00 0.00 0.00 43.42 43.30 1vnd n LEU 34 CO 0.36 -0.52 0.16 -0.94 -0.00 0.00 0.00 177.39 176.45 1vnd s SER 35 N 4.29 5.58 0.42 1.45 1.04 -1.26 -4.62 113.70 120.59 1vnd s SER 35 Ca 0.83 -0.48 0.26 0.00 0.48 0.00 0.00 55.95 57.05 1vnd s SER 35 Cb -1.01 -0.56 1.36 0.00 0.10 0.00 0.00 66.02 65.91 1vnd s SER 35 CO 0.44 -0.81 1.63 0.00 0.98 0.00 0.00 173.24 175.48 1vnd h ALA 36 N 0.61 2.55 -0.11 5.32 0.00 -1.95 -0.55 119.26 125.13 1vnd h ALA 36 Ca -0.39 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1vnd h ALA 36 Cb 1.28 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1vnd h ALA 36 CO 0.45 -1.18 -0.29 -1.35 0.00 0.00 0.00 179.25 176.88 1vnd h PRO 37 N 0.12 0.20 0.00 0.00 0.11 -1.99 -2.98 132.00 127.46 1vnd h PRO 37 Ca 0.80 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.75 1vnd h PRO 37 Cb 2.37 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 33.45 1vnd h PRO 37 CO -0.47 0.49 -1.90 -0.85 -0.21 0.00 0.00 178.00 175.05 1vnd n GLU 38 N -4.13 0.75 0.11 1.05 0.28 -0.88 -4.22 120.64 113.60 1vnd n GLU 38 Ca -0.01 -0.12 -0.21 0.00 -0.16 0.00 0.00 57.16 56.66 1vnd n GLU 38 Cb 0.38 -1.42 -0.15 0.00 1.43 0.00 0.00 31.44 31.68 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 0.40 0.00 3.44 2.43 -1.21 -3.01 114.38 116.43 1vnd h ARG 39 Ca -0.13 -0.68 -0.02 0.00 -0.81 0.00 0.00 59.98 58.35 1vnd h ARG 39 Cb 1.15 0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1vnd h ARG 39 CO 0.01 1.31 -0.23 0.93 -1.51 0.00 0.00 179.97 180.47 1vnd h GLU 40 N 0.11 0.00 0.00 0.20 4.39 -1.77 -3.02 114.58 114.49 1vnd h GLU 40 Ca -0.24 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.29 1vnd h GLU 40 Cb 2.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.71 1vnd h GLU 40 CO 0.22 0.07 -0.80 1.25 -1.16 0.00 0.00 179.01 178.59 1vnd h HIS 41 N 0.00 0.00 -0.13 4.33 2.76 -1.73 -2.66 115.15 117.71 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 1.06 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.02 1vnd h HIS 41 CO 0.00 0.80 -0.67 1.25 -1.30 0.00 0.00 177.93 178.01 1vnd h LEU 42 N 0.00 0.60 -0.04 0.26 7.12 -1.52 -2.61 115.31 119.11 1vnd h LEU 42 Ca -0.01 -0.36 -0.18 0.00 0.13 0.00 0.00 57.88 57.46 1vnd h LEU 42 Cb 1.58 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 41.51 1vnd h LEU 42 CO 0.10 1.10 -0.87 0.00 -0.13 0.00 0.00 178.44 178.64 1vnd h ALA 43 N 0.90 0.45 0.00 1.25 0.00 -1.57 -2.76 119.26 117.53 1vnd h ALA 43 Ca -0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 1vnd h ALA 43 Cb 1.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1vnd h ALA 43 CO 0.12 1.09 -1.08 0.77 0.00 0.00 0.00 179.25 180.15 1vnd h SER 44 N 0.00 0.00 0.01 0.00 0.02 -1.56 -0.81 113.55 111.21 1vnd h SER 44 Ca -0.01 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.70 1vnd h SER 44 Cb 1.65 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.20 1vnd h SER 44 CO 0.11 0.67 -0.93 0.25 -1.14 0.00 0.00 176.83 175.79 1vnd h LEU 45 N 0.00 0.85 0.00 5.07 7.12 -1.53 -3.37 115.31 123.45 1vnd h LEU 45 Ca -0.10 -0.64 0.00 0.00 0.13 0.00 0.00 57.88 57.27 1vnd h LEU 45 Cb 1.60 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1vnd h LEU 45 CO 0.07 1.43 -1.91 2.30 -0.13 0.00 0.00 178.44 180.21 1vnd n ILE 46 N -3.86 0.00 -1.21 4.05 -5.35 -1.04 -5.05 119.36 106.89 1vnd n ILE 46 Ca -0.09 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1vnd n ILE 46 Cb 0.83 0.06 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 -2.19 0.00 -2.90 6.28 3.00 -0.87 -4.98 116.66 115.01 1vnd n ARG 47 Ca -0.03 0.12 -0.08 0.00 -0.00 0.00 0.00 57.85 57.85 1vnd n ARG 47 Cb 0.53 -1.21 -0.03 0.00 0.00 0.00 0.00 32.46 31.75 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 -1.09 0.00 -4.87 6.15 4.77 -0.37 -5.04 117.00 116.55 1vnd n LEU 48 Ca 0.00 -1.24 -0.34 0.00 -0.03 0.00 0.00 56.01 54.40 1vnd n LEU 48 Cb 0.40 0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 42.02 1vnd n LEU 48 CO 0.00 -0.20 0.12 0.42 -1.33 0.00 0.00 177.39 176.39 1vnd s THR 49 N -2.42 5.04 0.63 -5.08 -4.23 -1.26 -4.62 115.64 103.69 1vnd s THR 49 Ca 0.14 0.49 0.35 0.00 -1.18 0.00 0.00 61.69 61.49 1vnd s THR 49 Cb 0.01 -3.66 0.39 0.00 1.34 0.00 0.00 72.50 70.57 1vnd s THR 49 CO 0.10 0.22 2.23 -0.65 -0.54 0.00 0.00 174.62 175.97 1vnd h PRO 50 N 3.49 0.00 0.00 3.99 0.11 -1.95 -3.04 132.00 134.60 1vnd h PRO 50 Ca -0.48 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.37 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 0.67 0.00 -1.50 0.00 -0.21 0.00 0.00 178.00 176.96 1vnd h THR 51 N 0.00 0.97 0.09 -1.15 1.03 -1.95 -2.94 112.91 108.96 1vnd h THR 51 Ca 0.02 -2.74 -0.28 0.00 -0.01 0.00 0.00 66.41 63.40 1vnd h THR 51 Cb 0.20 2.45 -0.01 0.00 -1.07 0.00 0.00 68.15 69.72 1vnd h THR 51 CO -0.00 0.55 -1.40 0.06 -0.01 0.00 0.00 175.52 174.72 1vnd h GLN 52 N 0.00 0.19 -0.52 0.00 3.07 -1.76 -2.98 115.11 113.11 1vnd h GLN 52 Ca -0.21 -0.32 -0.12 0.00 0.09 0.00 0.00 58.65 58.09 1vnd h GLN 52 Cb 1.89 0.12 -0.02 0.00 0.08 0.00 0.00 27.48 29.56 1vnd h GLN 52 CO 0.08 1.06 -0.14 -0.24 0.09 0.00 0.00 178.83 179.68 1vnd h VAL 53 N 0.05 1.27 -0.40 1.86 3.04 -1.69 -2.43 116.25 117.94 1vnd h VAL 53 Ca -0.19 -1.30 0.08 0.00 -1.01 0.00 0.00 66.70 64.28 1vnd h VAL 53 Cb 1.97 1.01 -0.07 0.00 -2.01 0.00 0.00 31.29 32.19 1vnd h VAL 53 CO 0.16 0.46 -0.03 0.11 -1.01 0.00 0.00 177.57 177.26 1vnd h LYS 54 N 0.90 0.07 -0.00 4.17 1.79 -1.60 -2.97 116.57 118.93 1vnd h LYS 54 Ca 0.13 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1vnd h LYS 54 Cb 0.71 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1vnd h LYS 54 CO 0.05 0.05 -0.21 -0.89 -1.08 0.00 0.00 179.45 177.37 1vnd n ILE 55 N -5.23 0.00 -0.00 1.86 5.41 -1.12 -2.64 119.36 117.64 1vnd n ILE 55 Ca 0.03 -0.04 -0.18 0.00 1.00 0.00 0.00 62.75 63.56 1vnd n ILE 55 Cb 0.22 -0.04 -0.09 0.00 -0.71 0.00 0.00 39.64 39.01 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 0.35 0.84 0.00 1.39 7.01 -1.28 -3.20 115.95 121.06 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 0.44 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1vnd h TRP 56 CO 0.00 1.23 -0.32 1.19 -2.79 0.00 0.00 178.44 177.75 1vnd n PHE 57 N -4.08 0.75 0.03 2.65 3.01 -1.14 -3.02 117.46 115.66 1vnd n PHE 57 Ca -0.09 0.22 -0.20 0.00 1.01 0.00 0.00 57.45 58.39 1vnd n PHE 57 Cb 0.72 -0.80 -0.10 0.00 -0.01 0.00 0.00 39.48 39.28 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 0.68 0.00 -1.08 4.15 -1.61 -3.37 115.11 113.89 1vnd h GLN 58 Ca 0.00 -0.71 -0.19 0.00 0.77 0.00 0.00 58.65 58.51 1vnd h GLN 58 Cb 0.74 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1vnd h GLN 58 CO 0.00 1.30 -1.45 -0.91 -1.93 0.00 0.00 178.83 175.84 1vnd h ASN 59 N 0.36 0.00 1.46 -0.69 2.35 -1.65 -3.38 115.58 114.02 1vnd h ASN 59 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1vnd h ASN 59 Cb 1.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.99 1vnd h ASN 59 CO 0.19 0.67 0.00 0.45 -1.65 0.00 0.00 177.43 177.09 1vnd h HIS 60 N 0.00 0.00 -0.43 1.19 3.86 -1.71 -3.41 115.15 114.66 1vnd h HIS 60 Ca -0.18 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.75 1vnd h HIS 60 Cb 1.68 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 30.04 1vnd h HIS 60 CO 0.00 0.00 0.10 2.89 0.86 0.00 0.00 177.93 181.78 1vnd n ARG 61 N -2.58 1.89 0.00 2.45 -4.01 -1.26 -4.57 116.66 108.59 1vnd n ARG 61 Ca 0.04 -1.35 0.00 0.00 -1.04 0.00 0.00 57.85 55.50 1vnd n ARG 61 Cb 0.41 -1.77 0.00 0.00 -3.04 0.00 0.00 32.46 28.06 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 1.34 0.00 -2.86 2.89 4.02 -1.26 -5.01 117.16 116.28 1vnd n TYR 62 Ca 0.34 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 58.12 1vnd n TYR 62 Cb 0.66 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.03 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 1.05 -3.60 -0.72 0.00 -1.26 -5.03 118.16 108.60 1vnd n LYS 63 Ca 0.00 -2.54 -0.40 0.00 -0.00 0.00 0.00 58.31 55.36 1vnd n LYS 63 Cb 0.00 -1.09 -0.10 0.00 -0.00 0.00 0.00 35.03 33.84 1vnd n LYS 63 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1vnd s THR 64 N -1.05 4.29 -1.02 0.58 -4.23 -1.26 -5.02 115.64 107.92 1vnd s THR 64 Ca 0.28 -1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1vnd s THR 64 Cb 0.35 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.62 1vnd s THR 64 CO -0.05 -0.47 2.74 2.29 -0.54 0.00 0.00 174.62 178.59 1vnd n LYS 65 N 4.93 3.61 -0.10 3.99 2.85 -1.26 -4.34 118.16 127.83 1vnd n LYS 65 Ca -0.10 -2.67 -0.19 0.00 -1.05 0.00 0.00 58.31 54.29 1vnd n LYS 65 Cb 0.43 -2.48 -0.06 0.00 -0.65 0.00 0.00 35.03 32.27 1vnd n LYS 65 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1vnd n ARG 66 N 1.97 0.46 0.01 -1.58 0.63 -1.26 -4.63 116.66 112.26 1vnd n ARG 66 Ca 0.60 0.20 0.11 0.00 -0.92 0.00 0.00 57.85 57.84 1vnd n ARG 66 Cb 0.39 -1.29 -0.04 0.00 0.45 0.00 0.00 32.46 31.97 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vnd n ALA 67 N -4.09 3.98 -2.80 5.13 0.00 -1.26 -4.10 120.51 117.37 1vnd n ALA 67 Ca -0.35 -0.51 -0.39 0.00 0.00 0.00 0.00 53.44 52.19 1vnd n ALA 67 Cb 0.70 -0.86 0.01 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.73 4.84 -2.76 0.00 10.64 -1.26 -4.15 117.38 122.96 1vnd n GLN 68 Ca 0.02 -4.67 -0.09 0.00 -1.83 0.00 0.00 57.00 50.44 1vnd n GLN 68 Cb 0.39 -2.44 0.06 0.00 -0.86 0.00 0.00 30.24 27.39 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 0.29 -2.63 -4.48 2.61 5.15 -1.26 -4.76 115.26 110.18 1vnd n ASN 69 Ca 0.39 -3.42 -0.43 0.00 -0.60 0.00 0.00 54.58 50.52 1vnd n ASN 69 Cb 0.30 1.80 -0.03 0.00 -0.53 0.00 0.00 39.78 41.32 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 0.49 3.60 0.00 1.20 2.02 -1.26 -3.75 118.70 121.00 1vnd s GLU 70 Ca 0.29 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1vnd s GLU 70 Cb 0.25 -5.03 0.00 0.00 0.10 0.00 0.00 34.13 29.45 1vnd s GLU 70 CO -0.18 -1.89 0.10 1.63 0.02 0.00 0.00 175.26 174.95 1vnd n LYS 71 N 7.16 0.00 0.00 1.61 5.02 -1.26 -4.99 118.16 125.70 1vnd n LYS 71 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1vnd n LYS 71 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1vnd n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vnd n GLY 72 N 0.00 1.17 0.21 0.72 0.00 -1.26 -5.04 105.19 100.99 1vnd n GLY 72 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -0.16 1.61 5.03 -1.93 -3.39 116.97 118.13 1vnd h TYR 73 Ca 0.00 0.00 -0.40 0.00 2.58 0.00 0.00 58.73 60.91 1vnd h TYR 73 Cb 0.00 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.23 1vnd h TYR 73 CO 0.00 0.00 1.15 -0.85 -1.32 0.00 0.00 178.16 177.14 1vnd n GLU 74 N -2.55 2.71 0.00 1.82 0.00 -1.26 -4.57 120.64 116.78 1vnd n GLU 74 Ca -0.00 -1.63 0.00 0.00 0.00 0.00 0.00 57.16 55.53 1vnd n GLU 74 Cb 0.16 -2.29 0.00 0.00 0.00 0.00 0.00 31.44 29.30 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vnd n GLY 75 N 2.64 -0.60 2.51 -1.84 0.00 -1.26 -4.05 105.19 102.59 1vnd n GLY 75 Ca 0.56 0.30 -0.23 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.35 0.46 -2.00 1.61 3.76 -1.26 -4.83 115.29 112.68 1vnd s HIS 76 Ca 0.00 -1.70 0.24 0.00 -0.15 0.00 0.00 55.06 53.45 1vnd s HIS 76 Cb 0.00 -0.69 1.44 0.00 1.11 0.00 0.00 32.58 34.43 1vnd s HIS 76 CO 0.00 -0.90 1.80 -0.35 -0.85 0.00 0.00 174.74 174.44