#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 -3.19 0.00 3.41 -1.26 -4.96 113.62 107.62 1vnd n SER 2 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 1vnd n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.40 -0.35 0.00 4.04 5.68 -1.26 -5.05 116.55 119.21 1vnd n ASP 3 Ca 0.00 -2.67 0.00 0.00 -0.50 0.00 0.00 54.79 51.62 1vnd n ASP 3 Cb 0.00 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1vnd n ASP 3 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vnd n GLY 4 N 1.83 2.90 3.43 6.12 0.00 -1.26 -5.15 105.19 113.06 1vnd n GLY 4 Ca 0.22 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 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 2.46 -1.30 0.99 1.43 -1.26 -3.69 118.68 117.31 1vnd s LEU 5 Ca 0.00 -1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 51.75 1vnd s LEU 5 Cb 0.00 -0.61 0.11 0.00 0.03 0.00 0.00 46.19 45.72 1vnd s LEU 5 CO 0.00 -0.37 1.75 -0.81 0.23 0.00 0.00 176.35 177.16 1vnd n PRO 6 N -0.58 3.26 0.01 1.29 -0.04 -1.26 -3.95 135.00 133.74 1vnd n PRO 6 Ca -0.05 -3.38 0.00 0.00 -0.04 0.00 0.00 63.50 60.03 1vnd n PRO 6 Cb 0.64 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 1vnd n PRO 6 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1vnd n ASN 7 N 6.39 -0.24 -3.78 3.54 2.85 -1.26 -5.14 115.26 117.62 1vnd n ASN 7 Ca 0.44 0.05 -0.13 0.00 -0.11 0.00 0.00 54.58 54.84 1vnd n ASN 7 Cb 0.42 0.68 -0.10 0.00 1.24 0.00 0.00 39.78 42.02 1vnd n ASN 7 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1vnd s LYS 8 N -1.06 0.49 -0.37 1.20 -2.85 -1.25 -3.61 119.74 112.29 1vnd s LYS 8 Ca 0.00 0.09 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 1vnd s LYS 8 Cb 0.00 0.23 0.18 0.00 -2.06 0.00 0.00 37.83 36.18 1vnd s LYS 8 CO 0.00 -0.11 0.82 0.21 0.10 0.00 0.00 175.35 176.37 1vnd s LYS 9 N -0.60 0.52 -0.13 1.78 2.47 -1.26 -4.14 119.74 118.38 1vnd s LYS 9 Ca -0.07 -0.15 -0.02 0.00 -1.56 0.00 0.00 55.97 54.17 1vnd s LYS 9 Cb -0.04 0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.40 1vnd s LYS 9 CO 0.02 -0.77 0.09 0.54 0.16 0.00 0.00 175.35 175.39 1vnd n ARG 10 N 4.15 -1.08 -2.30 4.03 1.74 -1.26 -4.65 116.66 117.29 1vnd n ARG 10 Ca 0.08 1.22 -0.06 0.00 -0.77 0.00 0.00 57.85 58.32 1vnd n ARG 10 Cb 0.60 -2.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 1vnd n ARG 10 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1vnd n LYS 11 N -0.04 -0.92 -1.86 5.56 5.02 -1.26 -4.64 118.16 120.01 1vnd n LYS 11 Ca 0.02 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1vnd n LYS 11 Cb 0.07 -3.87 0.00 0.00 -0.02 0.00 0.00 35.03 31.21 1vnd n LYS 11 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1vnd n ARG 12 N -1.57 -5.12 -3.10 1.97 0.00 -1.26 -4.80 116.66 102.78 1vnd n ARG 12 Ca -0.05 3.68 -0.39 0.00 -0.00 0.00 0.00 57.85 61.09 1vnd n ARG 12 Cb 0.54 -4.00 -0.05 0.00 0.00 0.00 0.00 32.46 28.95 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1vnd s ARG 13 N -1.66 4.41 -0.18 -0.14 1.81 -1.24 -3.43 118.95 118.52 1vnd s ARG 13 Ca 0.00 0.86 -0.29 0.00 -1.72 0.00 0.00 55.73 54.58 1vnd s ARG 13 Cb 0.00 -3.38 -0.01 0.00 -0.45 0.00 0.00 34.95 31.11 1vnd s ARG 13 CO 0.00 0.24 1.14 0.14 -0.68 0.00 0.00 175.30 176.14 1vnd s VAL 14 N 0.19 4.49 0.04 3.52 -7.23 -1.26 -4.81 120.40 115.34 1vnd s VAL 14 Ca 0.35 1.80 0.02 0.00 -1.81 0.00 0.00 61.98 62.34 1vnd s VAL 14 Cb -0.19 -4.16 -0.02 0.00 0.56 0.00 0.00 36.38 32.57 1vnd s VAL 14 CO 0.19 -0.13 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.02 1vnd s LEU 15 N 3.11 2.26 -0.71 1.32 2.01 -1.22 -5.11 118.68 120.33 1vnd s LEU 15 Ca 0.50 -0.55 -0.09 0.00 0.01 0.00 0.00 54.13 53.99 1vnd s LEU 15 Cb -0.19 -0.13 0.19 0.00 0.01 0.00 0.00 46.19 46.07 1vnd s LEU 15 CO 0.12 -0.22 0.59 -0.36 1.01 0.00 0.00 176.35 177.49 1vnd s PHE 16 N -1.44 3.58 0.14 0.29 0.40 -1.26 -4.90 117.98 114.78 1vnd s PHE 16 Ca -0.10 -2.29 0.02 0.00 -0.60 0.00 0.00 56.93 53.96 1vnd s PHE 16 Cb -0.10 -3.53 0.02 0.00 0.51 0.00 0.00 43.02 39.93 1vnd s PHE 16 CO 0.00 -0.93 0.15 2.41 0.70 0.00 0.00 175.22 177.56 1vnd n THR 17 N 3.84 0.00 1.69 0.64 -1.04 -1.26 -4.88 114.28 113.27 1vnd n THR 17 Ca 0.09 -0.49 0.14 0.00 -2.04 0.00 0.00 64.05 61.75 1vnd n THR 17 Cb 0.42 -0.67 0.81 0.00 -1.82 0.00 0.00 70.33 69.07 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 -1.10 0.83 -0.05 -2.82 -0.00 -1.26 -2.20 118.16 111.57 1vnd n LYS 18 Ca 0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.14 1vnd n LYS 18 Cb 0.15 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 33.55 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 3.69 0.14 -0.18 0.58 0.00 -1.96 -3.36 119.26 118.18 1vnd h ALA 19 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 54.91 53.89 1vnd h ALA 19 Cb 0.02 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vnd h ALA 19 CO 0.00 0.53 -0.17 1.96 0.00 0.00 0.00 179.25 181.57 1vnd h GLN 20 N -0.74 0.43 -0.00 0.00 1.08 -1.84 -3.03 115.11 111.01 1vnd h GLN 20 Ca -0.23 -0.22 -0.15 0.00 -1.45 0.00 0.00 58.65 56.60 1vnd h GLN 20 Cb 1.39 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 1vnd h GLN 20 CO -0.04 0.78 -0.70 1.79 -0.95 0.00 0.00 178.83 179.71 1vnd h THR 21 N 0.08 1.50 -0.11 -0.54 1.35 -1.70 -3.00 112.91 110.49 1vnd h THR 21 Ca 0.03 -2.38 -0.04 0.00 -0.55 0.00 0.00 66.41 63.47 1vnd h THR 21 Cb 0.70 2.28 -0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1vnd h THR 21 CO 0.04 0.68 -0.07 0.22 -0.25 0.00 0.00 175.52 176.14 1vnd h TYR 22 N 0.02 0.28 -0.12 4.73 3.20 -1.71 -3.02 116.97 120.35 1vnd h TYR 22 Ca -0.01 -0.08 -0.22 0.00 3.14 0.00 0.00 58.73 61.57 1vnd h TYR 22 Cb 1.24 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 39.46 1vnd h TYR 22 CO 0.00 0.62 -0.79 0.93 -1.64 0.00 0.00 178.16 177.29 1vnd h GLU 23 N -0.14 0.67 -0.32 1.82 4.39 -1.61 -2.93 114.58 116.45 1vnd h GLU 23 Ca 0.02 -0.56 -0.13 0.00 0.34 0.00 0.00 59.36 59.04 1vnd h GLU 23 Cb 0.56 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1vnd h GLU 23 CO 0.02 1.17 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.69 1vnd h LEU 24 N 0.45 0.81 -0.79 1.33 3.38 -1.64 -3.02 115.31 115.83 1vnd h LEU 24 Ca -0.05 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.33 1vnd h LEU 24 Cb 1.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1vnd h LEU 24 CO 0.15 1.10 -0.53 -0.33 0.09 0.00 0.00 178.44 178.93 1vnd h GLU 25 N 0.53 0.19 -0.12 1.13 5.08 -1.65 -2.08 114.58 117.66 1vnd h GLU 25 Ca 0.06 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 1vnd h GLU 25 Cb 0.86 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.13 1vnd h GLU 25 CO 0.07 0.68 -0.67 0.07 -1.00 0.00 0.00 179.01 178.16 1vnd h ARG 26 N 0.15 0.67 -0.05 2.33 0.11 -1.55 -2.75 114.38 113.29 1vnd h ARG 26 Ca 0.00 -0.56 0.00 0.00 0.10 0.00 0.00 59.98 59.53 1vnd h ARG 26 Cb 0.99 0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.19 1vnd h ARG 26 CO 0.08 1.17 0.00 2.89 0.10 0.00 0.00 179.97 184.21 1vnd n ARG 27 N -4.07 1.43 0.08 0.08 1.85 -1.14 -2.82 116.66 112.07 1vnd n ARG 27 Ca -0.08 -0.63 -0.18 0.00 -1.00 0.00 0.00 57.85 55.96 1vnd n ARG 27 Cb 0.69 -1.43 -0.14 0.00 -1.05 0.00 0.00 32.46 30.53 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 1.41 0.56 0.01 2.89 3.57 -1.38 -3.37 116.94 120.62 1vnd h PHE 28 Ca 0.00 -0.41 -0.17 0.00 3.53 0.00 0.00 57.97 60.92 1vnd h PHE 28 Cb 0.30 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1vnd h PHE 28 CO 0.03 1.42 -0.91 0.00 -2.23 0.00 0.00 178.31 176.62 1vnd h ARG 29 N 0.08 0.01 -0.50 1.11 2.47 -1.49 -3.39 114.38 112.67 1vnd h ARG 29 Ca -0.24 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1vnd h ARG 29 Cb 2.04 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 1vnd h ARG 29 CO 0.19 1.01 0.00 0.00 0.56 0.00 0.00 179.97 181.72 1vnd n GLN 30 N -4.46 2.20 -4.17 0.04 -0.00 -1.13 -4.87 117.38 104.99 1vnd n GLN 30 Ca -0.26 -1.86 -0.14 0.00 -0.00 0.00 0.00 57.00 54.75 1vnd n GLN 30 Cb 0.63 -1.41 -0.08 0.00 -0.00 0.00 0.00 30.24 29.39 1vnd n GLN 30 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1vnd s GLN 31 N -1.33 1.51 0.00 2.61 -1.52 -1.26 -5.04 119.66 114.63 1vnd s GLN 31 Ca 0.35 -1.69 0.00 0.00 -1.95 0.00 0.00 55.36 52.07 1vnd s GLN 31 Cb 0.18 0.34 0.00 0.00 -0.22 0.00 0.00 33.01 33.32 1vnd s GLN 31 CO 0.24 -0.56 0.00 0.54 -0.25 0.00 0.00 175.29 175.26 1vnd n ARG 32 N -0.43 0.00 -3.29 2.91 1.74 -1.26 -4.53 116.66 111.80 1vnd n ARG 32 Ca 0.03 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 1vnd n ARG 32 Cb 0.64 -0.14 0.01 0.00 -1.02 0.00 0.00 32.46 31.95 1vnd n ARG 32 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1vnd n TYR 33 N -1.77 -2.63 -3.57 -1.55 4.02 -1.26 -4.76 117.16 105.63 1vnd n TYR 33 Ca 0.00 0.98 -0.00 0.00 -0.01 0.00 0.00 57.90 58.86 1vnd n TYR 33 Cb 0.00 -3.79 -0.04 0.00 -0.02 0.00 0.00 39.34 35.49 1vnd n TYR 33 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1vnd s LEU 34 N -4.61 -1.01 0.36 7.72 -0.00 -1.26 -5.11 118.68 114.77 1vnd s LEU 34 Ca 0.11 1.35 0.08 0.00 -0.00 0.00 0.00 54.13 55.66 1vnd s LEU 34 Cb -0.03 2.14 -0.03 0.00 -0.00 0.00 0.00 46.19 48.28 1vnd s LEU 34 CO 0.79 -0.19 0.31 -0.44 -0.00 0.00 0.00 176.35 176.81 1vnd s SER 35 N 2.79 5.14 0.41 1.48 0.01 -1.26 -4.86 113.70 117.41 1vnd s SER 35 Ca -0.04 -0.61 0.24 0.00 1.31 0.00 0.00 55.95 56.85 1vnd s SER 35 Cb -0.11 -0.81 1.30 0.00 0.21 0.00 0.00 66.02 66.62 1vnd s SER 35 CO -0.19 -0.45 1.65 0.00 0.41 0.00 0.00 173.24 174.66 1vnd h ALA 36 N 1.20 2.46 -0.20 1.44 0.00 -2.03 -1.89 119.26 120.24 1vnd h ALA 36 Ca -0.43 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1vnd h ALA 36 Cb 1.26 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1vnd h ALA 36 CO 0.59 -1.06 -0.29 -1.35 0.00 0.00 0.00 179.25 177.14 1vnd h PRO 37 N 0.17 0.40 -0.00 0.00 0.11 -2.00 -3.02 132.00 127.66 1vnd h PRO 37 Ca 0.77 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1vnd h PRO 37 Cb 2.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 33.29 1vnd h PRO 37 CO -0.47 0.65 -0.86 -0.85 -0.21 0.00 0.00 178.00 176.27 1vnd n GLU 38 N -4.11 0.59 -0.02 1.05 0.28 -0.98 -4.08 120.64 113.38 1vnd n GLU 38 Ca -0.01 -0.15 -0.22 0.00 -0.16 0.00 0.00 57.16 56.63 1vnd n GLU 38 Cb 0.42 -1.43 -0.13 0.00 1.43 0.00 0.00 31.44 31.72 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 0.36 0.20 0.00 3.44 2.43 -1.40 -3.00 114.38 116.40 1vnd h ARG 39 Ca 0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1vnd h ARG 39 Cb 0.51 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1vnd h ARG 39 CO 0.00 1.16 -0.32 0.93 -1.51 0.00 0.00 179.97 180.24 1vnd h GLU 40 N -0.29 0.00 0.00 0.20 5.08 -1.78 -3.07 114.58 114.72 1vnd h GLU 40 Ca -0.37 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.86 1vnd h GLU 40 Cb 1.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 1vnd h GLU 40 CO 0.01 0.00 -0.91 1.25 -1.00 0.00 0.00 179.01 178.36 1vnd h HIS 41 N 0.00 0.00 -0.16 4.33 2.76 -1.73 -2.65 115.15 117.70 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 0.98 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 1vnd h HIS 41 CO 0.00 0.51 -0.43 1.25 -1.30 0.00 0.00 177.93 177.96 1vnd h LEU 42 N 0.00 0.40 -0.65 0.26 7.12 -1.56 -1.81 115.31 119.06 1vnd h LEU 42 Ca -0.07 -0.18 -0.11 0.00 0.13 0.00 0.00 57.88 57.65 1vnd h LEU 42 Cb 1.45 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.46 1vnd h LEU 42 CO 0.05 0.78 -0.53 0.00 -0.13 0.00 0.00 178.44 178.61 1vnd h ALA 43 N 1.24 0.87 0.00 1.25 0.00 -1.52 -2.33 119.26 118.77 1vnd h ALA 43 Ca 0.02 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 1vnd h ALA 43 Cb 0.89 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1vnd h ALA 43 CO 0.07 0.66 -1.08 0.77 0.00 0.00 0.00 179.25 179.68 1vnd h SER 44 N 0.00 0.00 0.18 0.00 0.02 -1.45 0.85 113.55 113.15 1vnd h SER 44 Ca -0.01 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.66 1vnd h SER 44 Cb 1.12 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.68 1vnd h SER 44 CO 0.07 0.83 -1.17 0.25 -1.14 0.00 0.00 176.83 175.67 1vnd h LEU 45 N 0.00 0.80 0.00 5.07 7.12 -1.34 -3.35 115.31 123.60 1vnd h LEU 45 Ca -0.08 -0.72 0.00 0.00 0.13 0.00 0.00 57.88 57.21 1vnd h LEU 45 Cb 1.70 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.58 1vnd h LEU 45 CO 0.09 1.52 -1.83 2.30 -0.13 0.00 0.00 178.44 180.40 1vnd n ILE 46 N -3.77 0.00 -1.18 4.05 -5.35 -0.88 -5.05 119.36 107.18 1vnd n ILE 46 Ca -0.12 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1vnd n ILE 46 Cb 0.95 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 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 -2.13 0.00 -0.09 6.28 3.00 -0.92 -4.75 116.66 118.04 1vnd n ARG 47 Ca -0.03 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1vnd n ARG 47 Cb 0.53 -1.18 0.00 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 -0.89 0.00 -4.69 6.15 4.77 0.25 -4.99 117.00 117.59 1vnd n LEU 48 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1vnd n LEU 48 Cb 0.39 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1vnd n LEU 48 CO 0.00 0.00 -0.32 0.42 -1.33 0.00 0.00 177.39 176.16 1vnd s THR 49 N -0.78 4.19 0.28 -5.08 -4.23 -1.26 -4.61 115.64 104.14 1vnd s THR 49 Ca 0.00 -0.66 0.35 0.00 -1.18 0.00 0.00 61.69 60.20 1vnd s THR 49 Cb 0.00 -2.90 0.36 0.00 1.34 0.00 0.00 72.50 71.30 1vnd s THR 49 CO 0.00 0.32 2.08 -0.65 -0.54 0.00 0.00 174.62 175.83 1vnd h PRO 50 N 4.13 0.00 0.00 3.99 0.11 -1.90 -2.95 132.00 135.38 1vnd h PRO 50 Ca -0.49 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.37 1vnd h PRO 50 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1vnd h PRO 50 CO 0.58 0.00 -1.37 0.00 -0.21 0.00 0.00 178.00 177.00 1vnd h THR 51 N 0.00 1.23 0.03 -1.15 1.03 -1.99 -2.95 112.91 109.12 1vnd h THR 51 Ca 0.00 -3.01 -0.26 0.00 -0.01 0.00 0.00 66.41 63.13 1vnd h THR 51 Cb 0.06 2.60 -0.03 0.00 -1.07 0.00 0.00 68.15 69.71 1vnd h THR 51 CO 0.00 0.70 -1.38 0.06 -0.01 0.00 0.00 175.52 174.90 1vnd h GLN 52 N 0.00 0.06 -0.17 0.00 3.07 -1.95 -2.97 115.11 113.15 1vnd h GLN 52 Ca -0.16 -0.11 -0.11 0.00 0.09 0.00 0.00 58.65 58.37 1vnd h GLN 52 Cb 1.89 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 29.48 1vnd h GLN 52 CO 0.10 0.86 -0.36 -0.24 0.09 0.00 0.00 178.83 179.27 1vnd h VAL 53 N 0.02 1.29 -0.01 1.86 3.04 -1.68 -2.40 116.25 118.37 1vnd h VAL 53 Ca -0.16 -1.45 0.03 0.00 -1.01 0.00 0.00 66.70 64.11 1vnd h VAL 53 Cb 1.91 1.56 -0.05 0.00 -2.01 0.00 0.00 31.29 32.71 1vnd h VAL 53 CO 0.12 0.44 -0.31 0.50 -1.01 0.00 0.00 177.57 177.31 1vnd h LYS 54 N 0.31 -0.45 -0.00 4.17 3.11 -1.57 -2.90 116.57 119.24 1vnd h LYS 54 Ca 0.03 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1vnd h LYS 54 Cb 0.79 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1vnd h LYS 54 CO 0.06 -0.30 -0.08 -0.89 -2.81 0.00 0.00 179.45 175.43 1vnd n ILE 55 N -5.41 0.00 0.02 2.00 5.41 -1.12 -2.68 119.36 117.58 1vnd n ILE 55 Ca -0.05 -0.02 -0.19 0.00 1.00 0.00 0.00 62.75 63.49 1vnd n ILE 55 Cb 0.32 -0.28 -0.11 0.00 -0.71 0.00 0.00 39.64 38.86 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 0.21 0.72 0.00 1.39 7.01 -1.39 -3.06 115.95 120.83 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 0.37 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 1vnd h TRP 56 CO 0.00 1.24 -0.02 1.19 -2.79 0.00 0.00 178.44 178.06 1vnd n PHE 57 N -4.11 0.80 0.11 2.65 3.01 -1.10 -1.96 117.46 116.86 1vnd n PHE 57 Ca -0.11 0.23 -0.20 0.00 1.01 0.00 0.00 57.45 58.39 1vnd n PHE 57 Cb 0.75 -0.88 -0.13 0.00 -0.01 0.00 0.00 39.48 39.22 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 0.45 0.09 -1.08 4.15 -1.62 -3.40 115.11 113.70 1vnd h GLN 58 Ca 0.00 -0.68 -0.35 0.00 0.77 0.00 0.00 58.65 58.39 1vnd h GLN 58 Cb 0.71 0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.61 1vnd h GLN 58 CO 0.00 1.31 -1.94 0.09 -1.93 0.00 0.00 178.83 176.35 1vnd n ASN 59 N -3.67 1.78 0.00 -0.69 3.02 -1.16 -4.44 115.26 110.09 1vnd n ASN 59 Ca -0.12 0.25 0.14 0.00 -0.03 0.00 0.00 54.58 54.82 1vnd n ASN 59 Cb 1.01 -0.62 0.70 0.00 -0.61 0.00 0.00 39.78 40.26 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 -3.35 0.00 -1.37 3.10 -0.00 -0.83 -4.18 115.22 108.59 1vnd n HIS 60 Ca -0.28 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.65 1vnd n HIS 60 Cb 1.05 -0.26 -0.09 0.00 -0.12 0.00 0.00 29.99 30.57 1vnd n HIS 60 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1vnd n ARG 61 N -1.26 2.60 -2.94 1.57 1.85 -1.26 -4.63 116.66 112.58 1vnd n ARG 61 Ca 0.14 -2.00 -0.15 0.00 -1.00 0.00 0.00 57.85 54.83 1vnd n ARG 61 Cb 0.21 -2.20 -0.01 0.00 -1.05 0.00 0.00 32.46 29.42 1vnd n ARG 61 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1vnd n TYR 62 N 1.71 0.90 -3.09 2.89 9.36 -1.26 -4.99 117.16 122.68 1vnd n TYR 62 Ca 0.51 -3.41 -0.21 0.00 3.32 0.00 0.00 57.90 58.10 1vnd n TYR 62 Cb 0.62 -0.39 0.01 0.00 -0.63 0.00 0.00 39.34 38.94 1vnd n TYR 62 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1vnd n LYS 63 N 0.09 -3.71 0.19 2.98 0.00 -1.26 -4.89 118.16 111.57 1vnd n LYS 63 Ca 0.20 0.65 0.12 0.00 -0.00 0.00 0.00 58.31 59.28 1vnd n LYS 63 Cb 0.71 -5.40 0.18 0.00 -0.00 0.00 0.00 35.03 30.51 1vnd n LYS 63 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1vnd h THR 64 N -0.96 0.00 0.06 0.58 2.02 -1.83 -3.37 112.91 109.41 1vnd h THR 64 Ca -0.45 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 1vnd h THR 64 Cb 1.31 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 1vnd h THR 64 CO 0.52 0.00 -0.03 0.11 0.37 0.00 0.00 175.52 176.49 1vnd h LYS 65 N 0.00 -0.07 0.00 6.66 1.79 -1.93 -3.46 116.57 119.55 1vnd h LYS 65 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1vnd h LYS 65 Cb 0.97 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1vnd h LYS 65 CO 0.00 0.53 0.00 2.89 -1.08 0.00 0.00 179.45 181.79 1vnd n ARG 66 N -4.79 0.00 -3.33 3.15 1.85 -1.26 -5.02 116.66 107.27 1vnd n ARG 66 Ca -0.08 0.00 -0.47 0.00 -1.00 0.00 0.00 57.85 56.30 1vnd n ARG 66 Cb 0.31 -0.30 -0.03 0.00 -1.05 0.00 0.00 32.46 31.39 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vnd s ALA 67 N -1.00 3.94 0.00 2.89 0.00 -1.26 -4.98 121.76 121.36 1vnd s ALA 67 Ca 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 51.96 48.88 1vnd s ALA 67 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1vnd s ALA 67 CO 0.00 -2.19 0.80 0.00 0.00 0.00 0.00 175.76 174.36 1vnd n GLN 68 N 4.37 0.00 -2.66 0.00 10.64 -1.26 -4.53 117.38 123.94 1vnd n GLN 68 Ca 0.05 0.43 -0.24 0.00 -1.83 0.00 0.00 57.00 55.41 1vnd n GLN 68 Cb 0.45 -1.30 -0.01 0.00 -0.86 0.00 0.00 30.24 28.52 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 -1.61 4.06 0.16 2.61 2.85 -1.26 -4.90 115.26 117.17 1vnd n ASN 69 Ca 0.00 -3.55 -0.16 0.00 -0.11 0.00 0.00 54.58 50.75 1vnd n ASN 69 Cb 0.00 -0.50 -0.09 0.00 1.24 0.00 0.00 39.78 40.42 1vnd n ASN 69 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1vnd h GLU 70 N 2.76 -0.76 0.00 1.20 4.11 -1.97 -3.44 114.58 116.48 1vnd h GLU 70 Ca 0.20 0.05 -0.37 0.00 0.07 0.00 0.00 59.36 59.31 1vnd h GLU 70 Cb 0.85 0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.28 1vnd h GLU 70 CO 0.78 -0.51 -0.07 0.36 0.07 0.00 0.00 179.01 179.64 1vnd n LYS 71 N -5.34 0.74 -0.36 1.06 0.00 -1.26 -5.06 118.16 107.94 1vnd n LYS 71 Ca -0.09 -2.32 0.03 0.00 -0.00 0.00 0.00 58.31 55.93 1vnd n LYS 71 Cb 0.41 -0.11 0.19 0.00 -0.00 0.00 0.00 35.03 35.52 1vnd n LYS 71 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1vnd h GLY 72 N 0.14 1.52 0.00 2.58 0.00 -1.85 -3.47 103.07 101.99 1vnd h GLY 72 Ca -0.21 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1vnd h GLY 72 CO 0.30 0.31 0.00 1.58 0.00 0.00 0.00 176.54 178.73 1vnd n TYR 73 N -4.51 0.00 -3.42 5.60 4.11 -1.24 -4.70 117.16 112.99 1vnd n TYR 73 Ca 0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.74 1vnd n TYR 73 Cb 0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.48 1vnd n TYR 73 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1vnd n GLU 74 N 0.00 2.87 0.00 -3.48 0.28 -1.26 -4.75 120.64 114.29 1vnd n GLU 74 Ca 0.00 -4.60 0.00 0.00 -0.16 0.00 0.00 57.16 52.40 1vnd n GLU 74 Cb 0.00 -2.34 0.00 0.00 1.43 0.00 0.00 31.44 30.53 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 1.28 2.25 2.03 -1.84 0.00 -1.26 -4.59 105.19 103.06 1vnd n GLY 75 Ca 0.27 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.71 1.36 1.61 -0.00 -1.26 -4.83 115.22 110.38 1vnd n HIS 76 Ca 0.00 0.26 0.11 0.00 -0.00 0.00 0.00 57.72 58.09 1vnd n HIS 76 Cb 0.00 0.93 0.65 0.00 -0.00 0.00 0.00 29.99 31.56 1vnd n HIS 76 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99