#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 0.59 -2.97 0.00 7.64 -1.26 -5.02 113.62 112.60 1vnd n SER 2 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1vnd n SER 2 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1vnd n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vnd n ASP 3 N 0.00 -1.09 0.00 6.43 2.03 -1.26 -5.07 116.55 117.60 1vnd n ASP 3 Ca 0.00 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.16 1vnd n ASP 3 Cb 0.00 0.61 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1vnd n ASP 3 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vnd n GLY 4 N 1.00 -0.67 2.85 0.27 0.00 -1.26 -5.08 105.19 102.31 1vnd n GLY 4 Ca 0.15 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 3.59 -0.12 0.99 1.43 -1.26 -5.04 118.68 118.27 1vnd s LEU 5 Ca 0.00 -2.83 -0.29 0.00 -1.03 0.00 0.00 54.13 49.99 1vnd s LEU 5 Cb 0.00 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1vnd s LEU 5 CO 0.00 -0.25 0.97 -2.16 0.23 0.00 0.00 176.35 175.14 1vnd s PRO 6 N 0.01 4.39 -0.49 1.29 0.04 -1.26 -4.97 135.00 134.02 1vnd s PRO 6 Ca 0.17 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.56 1vnd s PRO 6 Cb -0.25 -3.55 0.43 0.00 0.04 0.00 0.00 34.50 31.16 1vnd s PRO 6 CO 0.00 -0.33 1.41 0.09 0.04 0.00 0.00 177.00 178.22 1vnd n ASN 7 N 5.09 5.66 0.00 6.66 4.13 -1.26 -3.72 115.26 131.81 1vnd n ASN 7 Ca 0.08 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.58 1vnd n ASN 7 Cb 0.49 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 1vnd n ASN 7 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1vnd n LYS 8 N -0.63 0.00 -0.06 3.52 4.81 -1.26 -4.87 118.16 119.66 1vnd n LYS 8 Ca 0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.86 1vnd n LYS 8 Cb 0.70 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.73 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 -1.15 0.38 0.00 1.64 4.81 -1.26 -5.08 118.16 117.49 1vnd n LYS 9 Ca 0.00 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1vnd n LYS 9 Cb 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1vnd n LYS 9 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1vnd n ARG 10 N -4.08 0.00 0.00 1.64 1.85 -1.24 -5.00 116.66 109.82 1vnd n ARG 10 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1vnd n ARG 10 Cb 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.69 1vnd n ARG 10 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1vnd n LYS 11 N -1.14 0.00 -1.06 2.89 0.00 -1.26 -3.47 118.16 114.11 1vnd n LYS 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1vnd n LYS 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -0.48 -0.69 0.00 1.64 0.63 -1.26 -4.51 116.66 112.00 1vnd n ARG 12 Ca 0.00 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 1vnd n ARG 12 Cb 0.00 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1vnd n ARG 12 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1vnd n ARG 13 N 0.24 0.00 -3.44 -0.14 -4.01 -1.26 -4.98 116.66 103.08 1vnd n ARG 13 Ca 0.00 0.00 -0.32 0.00 -1.04 0.00 0.00 57.85 56.49 1vnd n ARG 13 Cb 0.00 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.37 1vnd n ARG 13 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 1vnd s VAL 14 N 0.00 4.95 -0.28 8.89 -7.23 -1.26 -5.02 120.40 120.45 1vnd s VAL 14 Ca 0.00 0.48 -0.23 0.00 -1.81 0.00 0.00 61.98 60.41 1vnd s VAL 14 Cb 0.00 -3.63 0.13 0.00 0.56 0.00 0.00 36.38 33.44 1vnd s VAL 14 CO 0.00 -0.01 1.04 -1.48 -0.31 0.00 0.00 175.10 174.33 1vnd s LEU 15 N -2.67 -0.45 0.37 1.32 2.34 -1.26 -5.08 118.68 113.25 1vnd s LEU 15 Ca 0.45 0.84 0.00 0.00 0.06 0.00 0.00 54.13 55.48 1vnd s LEU 15 Cb -0.12 1.83 0.00 0.00 -0.56 0.00 0.00 46.19 47.34 1vnd s LEU 15 CO 0.21 -0.14 0.64 0.49 -1.06 0.00 0.00 176.35 176.49 1vnd n PHE 16 N 2.44 0.00 -1.29 3.48 3.72 -1.26 -4.83 117.46 119.72 1vnd n PHE 16 Ca -0.13 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.01 1vnd n PHE 16 Cb 0.56 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.30 1vnd n PHE 16 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1vnd n THR 17 N -1.66 0.00 1.86 4.37 -1.04 -1.26 -4.38 114.28 112.17 1vnd n THR 17 Ca 0.00 -0.58 0.05 0.00 -2.04 0.00 0.00 64.05 61.48 1vnd n THR 17 Cb 0.64 -1.35 0.32 0.00 -1.82 0.00 0.00 70.33 68.12 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 -4.00 0.93 -0.08 -2.82 2.85 -1.26 -1.56 118.16 112.21 1vnd n LYS 18 Ca 0.14 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.25 1vnd n LYS 18 Cb 0.50 -1.18 -0.09 0.00 -0.65 0.00 0.00 35.03 33.61 1vnd n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vnd h ALA 19 N 3.23 0.11 0.02 0.58 0.00 -1.92 -3.36 119.26 117.91 1vnd h ALA 19 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1vnd h ALA 19 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1vnd h ALA 19 CO 0.00 0.35 -0.01 1.96 0.00 0.00 0.00 179.25 181.55 1vnd h GLN 20 N -1.00 -0.02 -0.18 0.00 1.08 -1.73 -3.02 115.11 110.23 1vnd h GLN 20 Ca -0.14 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.92 1vnd h GLN 20 Cb 0.94 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1vnd h GLN 20 CO -0.09 0.31 -0.49 1.79 -0.95 0.00 0.00 178.83 179.40 1vnd h THR 21 N -0.36 1.32 -0.02 -0.54 1.35 -1.49 -3.01 112.91 110.17 1vnd h THR 21 Ca -0.00 -1.71 -0.00 0.00 -0.55 0.00 0.00 66.41 64.14 1vnd h THR 21 Cb 0.34 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1vnd h THR 21 CO 0.00 0.53 0.00 0.22 -0.25 0.00 0.00 175.52 176.03 1vnd h TYR 22 N 0.38 0.03 -0.05 4.73 3.20 -1.71 -3.03 116.97 120.52 1vnd h TYR 22 Ca 0.02 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.69 1vnd h TYR 22 Cb 1.00 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 1vnd h TYR 22 CO 0.04 0.24 -0.80 0.93 -1.64 0.00 0.00 178.16 176.93 1vnd h GLU 23 N -0.19 0.36 -0.22 1.82 4.39 -1.59 -2.78 114.58 116.37 1vnd h GLU 23 Ca 0.01 -0.33 -0.12 0.00 0.34 0.00 0.00 59.36 59.26 1vnd h GLU 23 Cb 0.23 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1vnd h GLU 23 CO -0.00 0.99 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.44 1vnd h LEU 24 N 0.23 0.66 -0.90 1.33 3.38 -1.63 -2.92 115.31 115.48 1vnd h LEU 24 Ca -0.04 -0.52 -0.11 0.00 0.09 0.00 0.00 57.88 57.29 1vnd h LEU 24 Cb 1.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1vnd h LEU 24 CO 0.13 1.05 -0.43 -0.33 0.09 0.00 0.00 178.44 178.96 1vnd h GLU 25 N 0.29 0.25 0.00 1.13 5.08 -1.65 -2.83 114.58 116.86 1vnd h GLU 25 Ca 0.02 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 1vnd h GLU 25 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1vnd h GLU 25 CO 0.08 0.65 -0.67 0.07 -1.00 0.00 0.00 179.01 178.13 1vnd h ARG 26 N 0.21 0.00 0.00 2.33 0.11 -1.54 -2.96 114.38 112.52 1vnd h ARG 26 Ca 0.02 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.92 1vnd h ARG 26 Cb 0.85 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.91 1vnd h ARG 26 CO 0.07 0.67 -0.82 0.00 0.10 0.00 0.00 179.97 179.99 1vnd h ARG 27 N 0.00 0.02 -0.21 0.08 2.47 -1.60 -3.38 114.38 111.75 1vnd h ARG 27 Ca -0.01 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.59 1vnd h ARG 27 Cb 1.47 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.78 1vnd h ARG 27 CO 0.09 0.82 -0.32 0.35 0.56 0.00 0.00 179.97 181.47 1vnd h PHE 28 N 0.01 0.49 0.00 3.04 3.57 -1.34 -2.00 116.94 120.72 1vnd h PHE 28 Ca -0.01 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 1vnd h PHE 28 Cb 1.44 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.06 1vnd h PHE 28 CO 0.00 0.70 -0.12 0.00 -2.23 0.00 0.00 178.31 176.66 1vnd h ARG 29 N 0.37 0.00 0.00 1.11 2.47 -1.71 -3.30 114.38 113.32 1vnd h ARG 29 Ca 0.05 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.51 1vnd h ARG 29 Cb 0.75 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.02 1vnd h ARG 29 CO 0.06 0.12 -1.86 0.94 0.56 0.00 0.00 179.97 179.79 1vnd n GLN 30 N -3.16 0.65 -3.58 0.04 -0.06 -1.17 -5.05 117.38 105.06 1vnd n GLN 30 Ca 0.03 0.14 -0.08 0.00 -2.00 0.00 0.00 57.00 55.09 1vnd n GLN 30 Cb 0.52 -1.69 -0.04 0.00 -4.06 0.00 0.00 30.24 24.97 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 -2.73 0.50 -0.17 3.69 -2.07 -0.76 -5.07 119.66 113.04 1vnd s GLN 31 Ca -0.06 0.02 0.08 0.00 -1.82 0.00 0.00 55.36 53.58 1vnd s GLN 31 Cb 0.08 0.23 -0.16 0.00 -1.09 0.00 0.00 33.01 32.07 1vnd s GLN 31 CO 0.83 -0.17 -0.05 0.54 -1.32 0.00 0.00 175.29 175.11 1vnd n ARG 32 N 0.44 1.05 -5.10 9.60 5.12 -1.26 -3.81 116.66 122.70 1vnd n ARG 32 Ca -0.07 0.05 -0.28 0.00 -1.93 0.00 0.00 57.85 55.62 1vnd n ARG 32 Cb 0.59 -1.39 -0.16 0.00 -1.16 0.00 0.00 32.46 30.34 1vnd n ARG 32 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1vnd s TYR 33 N -2.38 2.00 -0.09 -1.55 1.51 -1.26 -4.92 117.35 110.65 1vnd s TYR 33 Ca -0.16 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.47 1vnd s TYR 33 Cb 0.06 -1.29 0.05 0.00 -0.11 0.00 0.00 41.96 40.67 1vnd s TYR 33 CO 0.54 -0.04 0.19 -0.48 -1.11 0.00 0.00 175.55 174.65 1vnd s LEU 34 N -0.50 0.02 0.60 -1.29 -0.00 -1.26 -5.17 118.68 111.09 1vnd s LEU 34 Ca 0.08 0.41 -0.05 0.00 -0.00 0.00 0.00 54.13 54.56 1vnd s LEU 34 Cb -0.09 0.42 0.02 0.00 -0.00 0.00 0.00 46.19 46.54 1vnd s LEU 34 CO -0.01 -0.22 0.90 -0.94 -0.00 0.00 0.00 176.35 176.08 1vnd s SER 35 N 2.08 5.46 0.38 1.48 1.04 -1.26 -4.62 113.70 118.27 1vnd s SER 35 Ca -0.00 0.62 0.17 0.00 0.48 0.00 0.00 55.95 57.21 1vnd s SER 35 Cb -0.12 -1.56 1.06 0.00 0.10 0.00 0.00 66.02 65.50 1vnd s SER 35 CO -0.07 -1.14 1.76 0.00 0.98 0.00 0.00 173.24 174.77 1vnd h ALA 36 N -0.20 2.14 0.00 5.32 0.00 -2.02 -0.44 119.26 124.06 1vnd h ALA 36 Ca -0.45 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1vnd h ALA 36 Cb 1.27 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1vnd h ALA 36 CO 0.60 -0.57 -0.38 -1.35 0.00 0.00 0.00 179.25 177.55 1vnd h PRO 37 N 0.43 0.00 0.00 0.00 0.11 -2.00 -3.00 132.00 127.54 1vnd h PRO 37 Ca 0.61 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.69 1vnd h PRO 37 Cb 1.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.58 1vnd h PRO 37 CO -0.34 0.38 -1.93 -0.85 -0.21 0.00 0.00 178.00 175.05 1vnd n GLU 38 N -4.06 0.64 0.11 1.05 0.28 -0.98 -4.19 120.64 113.48 1vnd n GLU 38 Ca -0.02 -0.16 -0.23 0.00 -0.16 0.00 0.00 57.16 56.59 1vnd n GLU 38 Cb 0.41 -1.46 -0.15 0.00 1.43 0.00 0.00 31.44 31.67 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 0.44 0.00 3.44 2.43 -1.15 -3.01 114.38 116.53 1vnd h ARG 39 Ca -0.05 -0.76 -0.04 0.00 -0.81 0.00 0.00 59.98 58.32 1vnd h ARG 39 Cb 1.02 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1vnd h ARG 39 CO 0.00 1.36 -0.25 0.93 -1.51 0.00 0.00 179.97 180.51 1vnd h GLU 40 N -0.05 0.00 0.00 0.20 4.39 -1.78 -2.96 114.58 114.39 1vnd h GLU 40 Ca -0.23 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 1vnd h GLU 40 Cb 1.98 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.61 1vnd h GLU 40 CO 0.22 0.20 -0.83 1.25 -1.16 0.00 0.00 179.01 178.70 1vnd h HIS 41 N 0.00 0.00 -0.00 4.33 2.76 -1.73 -2.69 115.15 117.82 1vnd h HIS 41 Ca -0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.98 1vnd h HIS 41 Cb 1.16 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 1vnd h HIS 41 CO 0.00 0.62 -0.83 1.25 -1.30 0.00 0.00 177.93 177.67 1vnd h LEU 42 N 0.00 0.15 -0.07 0.26 7.12 -1.51 -2.48 115.31 118.77 1vnd h LEU 42 Ca -0.05 -0.12 -0.17 0.00 0.13 0.00 0.00 57.88 57.67 1vnd h LEU 42 Cb 1.52 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.58 1vnd h LEU 42 CO 0.07 0.91 -0.82 0.00 -0.13 0.00 0.00 178.44 178.47 1vnd h ALA 43 N 1.08 0.49 0.00 1.25 0.00 -1.55 -2.79 119.26 117.75 1vnd h ALA 43 Ca -0.03 -0.75 -0.13 0.00 0.00 0.00 0.00 54.91 54.00 1vnd h ALA 43 Cb 1.45 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1vnd h ALA 43 CO 0.12 1.03 -0.95 0.77 0.00 0.00 0.00 179.25 180.22 1vnd h SER 44 N 0.00 0.00 -0.12 0.00 0.02 -1.55 -0.71 113.55 111.18 1vnd h SER 44 Ca -0.01 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1vnd h SER 44 Cb 1.60 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.15 1vnd h SER 44 CO 0.11 0.51 -0.69 0.25 -1.14 0.00 0.00 176.83 175.87 1vnd h LEU 45 N 0.00 0.81 0.00 5.07 7.12 -1.50 -3.38 115.31 123.44 1vnd h LEU 45 Ca -0.08 -0.65 0.00 0.00 0.13 0.00 0.00 57.88 57.29 1vnd h LEU 45 Cb 1.45 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1vnd h LEU 45 CO 0.05 1.33 -1.25 2.30 -0.13 0.00 0.00 178.44 180.74 1vnd n ILE 46 N -4.05 0.00 -1.11 4.05 -5.35 -1.05 -5.06 119.36 106.79 1vnd n ILE 46 Ca -0.08 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1vnd n ILE 46 Cb 0.70 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 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 -1.72 0.00 -2.67 6.28 3.00 -0.91 -4.91 116.66 115.73 1vnd n ARG 47 Ca -0.00 0.20 -0.06 0.00 -0.00 0.00 0.00 57.85 57.99 1vnd n ARG 47 Cb 0.33 -1.11 -0.02 0.00 0.00 0.00 0.00 32.46 31.66 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 -0.91 0.00 -4.88 6.15 4.77 -0.32 -4.89 117.00 116.92 1vnd n LEU 48 Ca 0.00 -0.91 -0.33 0.00 -0.03 0.00 0.00 56.01 54.73 1vnd n LEU 48 Cb 0.37 0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.82 1vnd n LEU 48 CO 0.00 -0.15 0.07 0.42 -1.33 0.00 0.00 177.39 176.40 1vnd s THR 49 N -2.23 5.11 0.60 -5.08 -4.23 -1.26 -4.69 115.64 103.86 1vnd s THR 49 Ca 0.09 0.30 0.39 0.00 -1.18 0.00 0.00 61.69 61.29 1vnd s THR 49 Cb 0.00 -3.63 0.41 0.00 1.34 0.00 0.00 72.50 70.63 1vnd s THR 49 CO 0.07 0.17 2.30 -0.65 -0.54 0.00 0.00 174.62 175.97 1vnd h PRO 50 N 3.31 0.00 0.00 3.99 0.11 -1.96 -3.04 132.00 134.41 1vnd h PRO 50 Ca -0.48 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.38 1vnd h PRO 50 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1vnd h PRO 50 CO 0.69 0.01 -1.52 0.00 -0.21 0.00 0.00 178.00 176.97 1vnd h THR 51 N 0.00 0.90 0.05 -1.15 1.03 -1.99 -3.01 112.91 108.74 1vnd h THR 51 Ca -0.00 -2.65 -0.26 0.00 -0.01 0.00 0.00 66.41 63.49 1vnd h THR 51 Cb 0.06 2.40 -0.02 0.00 -1.07 0.00 0.00 68.15 69.52 1vnd h THR 51 CO 0.00 0.51 -1.28 0.06 -0.01 0.00 0.00 175.52 174.80 1vnd h GLN 52 N 0.00 0.11 -0.37 0.00 3.07 -1.97 -3.00 115.11 112.95 1vnd h GLN 52 Ca -0.22 -0.18 -0.10 0.00 0.09 0.00 0.00 58.65 58.24 1vnd h GLN 52 Cb 1.88 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 29.50 1vnd h GLN 52 CO 0.08 0.99 -0.17 -0.24 0.09 0.00 0.00 178.83 179.57 1vnd h VAL 53 N 0.03 1.28 -0.19 1.86 3.04 -1.68 -2.36 116.25 118.23 1vnd h VAL 53 Ca -0.13 -1.30 0.04 0.00 -1.01 0.00 0.00 66.70 64.30 1vnd h VAL 53 Cb 1.90 1.33 -0.04 0.00 -2.01 0.00 0.00 31.29 32.48 1vnd h VAL 53 CO 0.14 0.43 -0.04 0.50 -1.01 0.00 0.00 177.57 177.59 1vnd h LYS 54 N 0.56 0.01 -0.00 4.17 1.63 -1.64 -2.99 116.57 118.31 1vnd h LYS 54 Ca 0.08 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1vnd h LYS 54 Cb 0.72 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1vnd h LYS 54 CO 0.05 0.01 -0.14 -0.89 -3.45 0.00 0.00 179.45 175.03 1vnd n ILE 55 N -5.18 0.00 -0.01 2.00 5.41 -1.13 -2.37 119.36 118.07 1vnd n ILE 55 Ca -0.03 -0.06 -0.17 0.00 1.00 0.00 0.00 62.75 63.49 1vnd n ILE 55 Cb 0.12 -0.03 -0.09 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.60 0.73 0.00 1.39 7.01 -1.32 -3.19 115.95 121.18 1vnd h TRP 56 Ca 0.00 -0.35 0.00 0.00 2.11 0.00 0.00 58.89 60.65 1vnd h TRP 56 Cb 0.39 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 1vnd h TRP 56 CO 0.00 1.15 -0.25 0.74 -2.79 0.00 0.00 178.44 177.30 1vnd h PHE 57 N 0.11 0.00 0.01 2.65 0.04 -1.53 -2.94 116.94 115.28 1vnd h PHE 57 Ca -0.06 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.47 1vnd h PHE 57 Cb 1.27 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.43 1vnd h PHE 57 CO 0.12 0.00 -1.00 0.37 -0.60 0.00 0.00 178.31 177.20 1vnd h GLN 58 N 0.00 0.49 0.00 1.51 4.15 -1.59 -3.35 115.11 116.31 1vnd h GLN 58 Ca 0.00 -0.54 -0.04 0.00 0.77 0.00 0.00 58.65 58.84 1vnd h GLN 58 Cb 0.78 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1vnd h GLN 58 CO 0.00 1.18 -1.03 -0.91 -1.93 0.00 0.00 178.83 176.14 1vnd h ASN 59 N 0.26 0.00 1.44 -0.69 2.35 -1.61 -3.40 115.58 113.94 1vnd h ASN 59 Ca -0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1vnd h ASN 59 Cb 1.65 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.01 1vnd h ASN 59 CO 0.18 0.15 -0.57 0.45 -1.65 0.00 0.00 177.43 175.99 1vnd h HIS 60 N 0.00 0.00 0.10 1.19 3.86 -1.65 -2.87 115.15 115.78 1vnd h HIS 60 Ca -0.04 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.91 1vnd h HIS 60 Cb 1.15 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.62 1vnd h HIS 60 CO 0.00 0.11 -1.16 0.07 0.86 0.00 0.00 177.93 177.81 1vnd h ARG 61 N 0.00 0.32 -1.42 2.45 -0.00 -1.77 -3.43 114.38 110.54 1vnd h ARG 61 Ca -0.02 -0.48 0.13 0.00 -0.00 0.00 0.00 59.98 59.61 1vnd h ARG 61 Cb 1.10 0.17 -0.22 0.00 -0.00 0.00 0.00 29.97 31.02 1vnd h ARG 61 CO 0.01 1.19 -0.00 1.52 -0.00 0.00 0.00 179.97 182.69 1vnd s TYR 62 N -2.84 -1.08 -0.35 4.08 1.13 -1.26 -4.67 117.35 112.35 1vnd s TYR 62 Ca -0.05 1.73 0.01 0.00 -1.41 0.00 0.00 57.07 57.35 1vnd s TYR 62 Cb 0.07 0.60 0.11 0.00 -1.10 0.00 0.00 41.96 41.64 1vnd s TYR 62 CO 0.88 -0.55 0.13 0.21 -2.51 0.00 0.00 175.55 173.71 1vnd s LYS 63 N 2.73 0.98 -0.18 -3.49 2.47 -1.08 -4.78 119.74 116.39 1vnd s LYS 63 Ca -0.01 -1.45 -0.04 0.00 -1.56 0.00 0.00 55.97 52.91 1vnd s LYS 63 Cb -0.10 -2.25 -0.05 0.00 -1.46 0.00 0.00 37.83 33.98 1vnd s LYS 63 CO -0.18 -1.03 1.20 0.25 0.16 0.00 0.00 175.35 175.74 1vnd n THR 64 N 4.39 0.00 1.39 3.43 -2.24 -1.26 -4.84 114.28 115.15 1vnd n THR 64 Ca 0.02 -0.44 0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1vnd n THR 64 Cb 0.40 -0.24 0.49 0.00 -2.10 0.00 0.00 70.33 68.87 1vnd n THR 64 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1vnd n LYS 65 N 5.00 1.09 -0.02 -0.78 2.85 -1.26 -4.32 118.16 120.72 1vnd n LYS 65 Ca 0.08 -0.58 -0.05 0.00 -1.05 0.00 0.00 58.31 56.71 1vnd n LYS 65 Cb 0.48 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.35 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 -0.45 0.13 -3.33 -1.58 0.00 -1.26 -4.90 116.66 105.27 1vnd n ARG 66 Ca 0.15 0.05 -0.47 0.00 -0.00 0.00 0.00 57.85 57.59 1vnd n ARG 66 Cb 0.33 -0.71 -0.02 0.00 0.00 0.00 0.00 32.46 32.05 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vnd s ALA 67 N -2.14 4.05 -0.48 5.13 0.00 -1.26 -5.00 121.76 122.07 1vnd s ALA 67 Ca -0.08 -3.27 -0.11 0.00 0.00 0.00 0.00 51.96 48.51 1vnd s ALA 67 Cb 0.03 -3.50 0.11 0.00 0.00 0.00 0.00 23.12 19.76 1vnd s ALA 67 CO 0.10 -2.26 0.36 -0.65 0.00 0.00 0.00 175.76 173.32 1vnd s GLN 68 N 0.27 2.60 -0.39 0.00 -0.21 -1.26 -4.89 119.66 115.79 1vnd s GLN 68 Ca 0.17 -1.70 0.09 0.00 0.02 0.00 0.00 55.36 53.94 1vnd s GLN 68 Cb -0.12 -3.98 0.28 0.00 1.00 0.00 0.00 33.01 30.19 1vnd s GLN 68 CO -0.08 -1.18 0.61 -1.71 -2.12 0.00 0.00 175.29 170.81 1vnd n ASN 69 N 4.98 0.19 -4.71 5.90 5.15 -1.26 -4.91 115.26 120.60 1vnd n ASN 69 Ca -0.09 -2.83 -0.40 0.00 -0.60 0.00 0.00 54.58 50.65 1vnd n ASN 69 Cb 0.41 -0.48 -0.05 0.00 -0.53 0.00 0.00 39.78 39.13 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 -1.45 4.42 -0.30 1.20 2.02 -1.26 -4.95 118.70 118.39 1vnd s GLU 70 Ca 0.36 0.90 -0.38 0.00 0.02 0.00 0.00 54.97 55.87 1vnd s GLU 70 Cb 0.23 -3.46 -0.14 0.00 0.10 0.00 0.00 34.13 30.86 1vnd s GLU 70 CO -0.11 0.02 1.93 0.36 0.02 0.00 0.00 175.26 177.48 1vnd n LYS 71 N 3.94 1.16 -1.49 1.61 2.85 -1.26 -3.62 118.16 121.35 1vnd n LYS 71 Ca -0.01 0.39 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 1vnd n LYS 71 Cb 0.51 -2.23 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 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 5.19 0.64 0.12 2.58 0.00 -1.26 -5.06 105.19 107.39 1vnd n GLY 72 Ca 0.33 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 0.45 -1.52 1.61 3.20 -1.91 -3.29 116.97 115.51 1vnd h TYR 73 Ca 0.00 -0.24 -0.68 0.00 3.14 0.00 0.00 58.73 60.95 1vnd h TYR 73 Cb 0.83 -0.05 -0.25 0.00 1.54 0.00 0.00 36.73 38.80 1vnd h TYR 73 CO 0.00 1.06 0.87 0.39 -1.64 0.00 0.00 178.16 178.84 1vnd n GLU 74 N -4.34 2.62 0.00 1.82 4.71 -1.26 -4.66 120.64 119.53 1vnd n GLU 74 Ca -0.10 -3.15 0.00 0.00 -0.01 0.00 0.00 57.16 53.90 1vnd n GLU 74 Cb 0.60 -2.21 0.00 0.00 -1.01 0.00 0.00 31.44 28.82 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 -0.33 2.14 0.14 0.62 0.00 -1.26 -5.11 105.19 101.39 1vnd n GLY 75 Ca 0.54 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 1vnd n GLY 75 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vnd n HIS 76 N 0.00 1.04 0.84 1.61 8.25 -1.24 -4.74 115.22 120.98 1vnd n HIS 76 Ca 0.00 0.23 0.07 0.00 -0.26 0.00 0.00 57.72 57.76 1vnd n HIS 76 Cb 0.00 -1.13 0.40 0.00 1.12 0.00 0.00 29.99 30.38 1vnd n HIS 76 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68