#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 -3.64 0.00 2.88 -1.26 -5.15 113.62 106.45 1vnd n SER 2 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1vnd n SER 2 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1vnd n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1vnd s ASP 3 N 1.11 -0.56 -0.29 -3.46 2.15 -1.26 -5.10 116.67 109.27 1vnd s ASP 3 Ca 0.00 0.88 -0.20 0.00 0.43 0.00 0.00 52.55 53.67 1vnd s ASP 3 Cb 0.00 0.87 0.14 0.00 -0.30 0.00 0.00 42.92 43.63 1vnd s ASP 3 CO 0.00 -0.36 1.02 -0.83 -0.17 0.00 0.00 175.17 174.83 1vnd s GLY 4 N -0.39 -0.03 0.23 2.66 0.00 -1.26 -5.10 107.32 103.44 1vnd s GLY 4 Ca -0.05 3.00 0.05 0.00 0.00 0.00 0.00 44.72 47.72 1vnd s GLY 4 CO 0.04 2.29 -0.03 1.08 0.00 0.00 0.00 173.10 176.48 1vnd s LEU 5 N 0.88 2.31 -1.36 0.66 1.43 -1.26 -4.89 118.68 116.44 1vnd s LEU 5 Ca -0.04 -1.18 -0.15 0.00 -1.03 0.00 0.00 54.13 51.73 1vnd s LEU 5 Cb -0.04 -0.38 0.08 0.00 0.03 0.00 0.00 46.19 45.87 1vnd s LEU 5 CO -0.12 -0.44 1.96 -0.81 0.23 0.00 0.00 176.35 177.17 1vnd n PRO 6 N -0.43 3.11 0.00 1.29 -0.04 -1.26 -2.93 135.00 134.75 1vnd n PRO 6 Ca -0.06 -3.05 0.00 0.00 -0.04 0.00 0.00 63.50 60.35 1vnd n PRO 6 Cb 0.63 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1vnd n PRO 6 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1vnd n ASN 7 N 6.45 0.00 -0.02 3.54 3.02 -1.26 -4.86 115.26 122.14 1vnd n ASN 7 Ca 0.48 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.83 1vnd n ASN 7 Cb 0.41 0.25 -0.13 0.00 -0.61 0.00 0.00 39.78 39.69 1vnd n ASN 7 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1vnd h LYS 8 N 0.00 0.17 -2.97 3.52 1.57 -1.95 -3.45 116.57 113.47 1vnd h LYS 8 Ca 0.00 -0.30 -0.23 0.00 -1.87 0.00 0.00 60.65 58.25 1vnd h LYS 8 Cb 0.00 0.11 -0.33 0.00 0.08 0.00 0.00 32.23 32.09 1vnd h LYS 8 CO 0.00 1.14 -0.55 -1.59 -0.57 0.00 0.00 179.45 177.88 1vnd s LYS 9 N -2.41 0.12 -0.13 3.15 -2.85 -1.17 -5.03 119.74 111.42 1vnd s LYS 9 Ca -0.20 0.65 0.01 0.00 -1.00 0.00 0.00 55.97 55.43 1vnd s LYS 9 Cb 0.03 -0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.68 1vnd s LYS 9 CO 0.74 -0.27 -0.17 0.50 0.10 0.00 0.00 175.35 176.25 1vnd s ARG 10 N 2.14 3.22 0.00 1.78 3.52 -1.26 -3.97 118.95 124.37 1vnd s ARG 10 Ca -0.00 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1vnd s ARG 10 Cb -0.12 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1vnd s ARG 10 CO -0.08 0.14 0.00 1.63 -0.81 0.00 0.00 175.30 176.19 1vnd n LYS 11 N 3.68 0.00 -0.75 5.12 5.02 -1.26 -5.06 118.16 124.91 1vnd n LYS 11 Ca -0.19 0.20 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 1vnd n LYS 11 Cb 0.53 -2.20 0.22 0.00 -0.02 0.00 0.00 35.03 33.55 1vnd n LYS 11 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1vnd s ARG 12 N -1.62 -0.31 0.42 1.97 1.70 -1.26 -5.11 118.95 114.74 1vnd s ARG 12 Ca 0.00 0.82 -0.01 0.00 -0.47 0.00 0.00 55.73 56.08 1vnd s ARG 12 Cb 0.00 -1.63 -0.02 0.00 -0.57 0.00 0.00 34.95 32.73 1vnd s ARG 12 CO 0.00 -3.31 0.64 1.03 -1.08 0.00 0.00 175.30 172.58 1vnd s ARG 13 N -4.63 3.30 0.29 3.89 1.81 -1.26 -5.10 118.95 117.26 1vnd s ARG 13 Ca 0.67 -0.31 -0.07 0.00 -1.72 0.00 0.00 55.73 54.30 1vnd s ARG 13 Cb -0.23 -2.57 -0.06 0.00 -0.45 0.00 0.00 34.95 31.65 1vnd s ARG 13 CO 0.62 -0.10 0.58 0.14 -0.68 0.00 0.00 175.30 175.86 1vnd s VAL 14 N -2.50 4.96 -0.51 3.52 -7.23 -1.26 -5.03 120.40 112.35 1vnd s VAL 14 Ca 0.45 0.29 0.04 0.00 -1.81 0.00 0.00 61.98 60.94 1vnd s VAL 14 Cb -0.10 -3.69 0.13 0.00 0.56 0.00 0.00 36.38 33.28 1vnd s VAL 14 CO 0.38 -0.26 0.26 -0.76 -0.31 0.00 0.00 175.10 174.40 1vnd s LEU 15 N -3.34 4.21 0.17 1.32 2.01 -1.26 -4.89 118.68 116.89 1vnd s LEU 15 Ca 0.46 -2.98 0.05 0.00 0.01 0.00 0.00 54.13 51.67 1vnd s LEU 15 Cb -0.11 -1.60 -0.04 0.00 0.01 0.00 0.00 46.19 44.45 1vnd s LEU 15 CO 0.27 -0.23 0.14 -0.36 1.01 0.00 0.00 176.35 177.17 1vnd s PHE 16 N -0.24 3.15 0.55 0.29 0.08 -1.26 -4.81 117.98 115.75 1vnd s PHE 16 Ca 0.17 -0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.24 1vnd s PHE 16 Cb -0.26 -1.51 0.10 0.00 -0.57 0.00 0.00 43.02 40.78 1vnd s PHE 16 CO -0.00 0.52 0.76 2.41 -0.10 0.00 0.00 175.22 178.81 1vnd n THR 17 N -0.36 0.00 1.94 0.64 -1.04 -1.26 -3.50 114.28 110.70 1vnd n THR 17 Ca -0.08 -1.49 0.05 0.00 -2.04 0.00 0.00 64.05 60.49 1vnd n THR 17 Cb 0.55 -0.78 0.26 0.00 -1.82 0.00 0.00 70.33 68.53 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 -2.32 1.05 -0.07 -2.82 2.85 -1.26 -1.87 118.16 113.72 1vnd n LYS 18 Ca 0.14 -0.08 -0.19 0.00 -1.05 0.00 0.00 58.31 57.14 1vnd n LYS 18 Cb 0.50 -1.15 -0.13 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 3.31 0.14 0.01 0.58 0.00 -1.99 -3.38 119.26 117.92 1vnd h ALA 19 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 54.91 53.90 1vnd h ALA 19 Cb 0.03 0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vnd h ALA 19 CO 0.00 0.45 -0.38 1.96 0.00 0.00 0.00 179.25 181.27 1vnd h GLN 20 N -0.88 0.25 -0.03 0.00 1.08 -1.81 -3.04 115.11 110.68 1vnd h GLN 20 Ca -0.20 -0.28 -0.12 0.00 -1.45 0.00 0.00 58.65 56.60 1vnd h GLN 20 Cb 1.27 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.76 1vnd h GLN 20 CO -0.08 1.00 -0.54 1.79 -0.95 0.00 0.00 178.83 180.04 1vnd h THR 21 N -0.38 1.38 0.33 -0.54 1.35 -1.66 -3.03 112.91 110.36 1vnd h THR 21 Ca -0.05 -1.86 -0.02 0.00 -0.55 0.00 0.00 66.41 63.94 1vnd h THR 21 Cb 1.14 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1vnd h THR 21 CO 0.08 0.54 -0.16 0.22 -0.25 0.00 0.00 175.52 175.95 1vnd h TYR 22 N 0.07 -0.41 -0.37 4.73 3.20 -1.74 -2.95 116.97 119.50 1vnd h TYR 22 Ca -0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 1vnd h TYR 22 Cb 0.98 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1vnd h TYR 22 CO 0.01 -0.14 -0.27 0.93 -1.64 0.00 0.00 178.16 177.04 1vnd h GLU 23 N -0.63 0.77 -0.26 1.82 4.39 -1.58 -2.93 114.58 116.16 1vnd h GLU 23 Ca -0.05 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.19 1vnd h GLU 23 Cb 0.45 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1vnd h GLU 23 CO 0.07 0.95 -0.37 -0.07 -1.16 0.00 0.00 179.01 178.44 1vnd h LEU 24 N 0.66 0.63 -0.32 1.33 3.38 -1.63 -3.01 115.31 116.35 1vnd h LEU 24 Ca 0.08 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1vnd h LEU 24 Cb 0.80 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1vnd h LEU 24 CO 0.07 0.94 -0.20 -0.33 0.09 0.00 0.00 178.44 179.01 1vnd h GLU 25 N 0.50 0.00 0.35 1.13 4.39 -1.55 -2.38 114.58 117.02 1vnd h GLU 25 Ca 0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1vnd h GLU 25 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1vnd h GLU 25 CO 0.07 0.20 -0.17 0.00 -1.16 0.00 0.00 179.01 177.95 1vnd h ARG 26 N 0.00 -0.45 -0.05 2.33 2.47 -1.50 -3.15 114.38 114.03 1vnd h ARG 26 Ca -0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1vnd h ARG 26 Cb 1.03 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1vnd h ARG 26 CO 0.03 -0.14 0.00 2.89 0.56 0.00 0.00 179.97 183.31 1vnd n ARG 27 N -5.16 1.44 0.08 0.04 1.85 -1.14 -1.73 116.66 112.04 1vnd n ARG 27 Ca -0.10 -0.65 -0.21 0.00 -1.00 0.00 0.00 57.85 55.89 1vnd n ARG 27 Cb 0.27 -1.43 -0.15 0.00 -1.05 0.00 0.00 32.46 30.10 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 1.46 0.70 0.00 2.89 3.57 -1.55 -3.35 116.94 120.66 1vnd h PHE 28 Ca 0.00 -0.50 -0.20 0.00 3.53 0.00 0.00 57.97 60.79 1vnd h PHE 28 Cb 0.31 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1vnd h PHE 28 CO 0.03 1.39 -0.98 -0.09 -2.23 0.00 0.00 178.31 176.42 1vnd h ARG 29 N -0.18 0.00 0.00 1.11 1.12 -1.41 -3.34 114.38 111.68 1vnd h ARG 29 Ca -0.18 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.57 1vnd h ARG 29 Cb 1.80 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.74 1vnd h ARG 29 CO 0.19 0.92 -1.18 0.37 -3.11 0.00 0.00 179.97 177.16 1vnd h GLN 30 N 0.00 0.00 -2.39 0.20 5.75 -1.58 -3.48 115.11 113.61 1vnd h GLN 30 Ca -0.02 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1vnd h GLN 30 Cb 1.74 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 30.13 1vnd h GLN 30 CO 0.12 0.27 0.27 1.14 -2.65 0.00 0.00 178.83 177.98 1vnd s GLN 31 N -3.01 1.07 -0.20 1.69 -2.07 -1.25 -5.07 119.66 110.82 1vnd s GLN 31 Ca -0.01 -0.11 -0.20 0.00 -1.82 0.00 0.00 55.36 53.22 1vnd s GLN 31 Cb 0.09 0.50 -0.20 0.00 -1.09 0.00 0.00 33.01 32.31 1vnd s GLN 31 CO 0.80 -0.41 0.22 0.54 -1.32 0.00 0.00 175.29 175.11 1vnd n ARG 32 N 0.24 0.59 0.00 9.60 5.12 -1.26 -3.98 116.66 126.97 1vnd n ARG 32 Ca -0.16 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1vnd n ARG 32 Cb 0.61 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 1vnd n ARG 32 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1vnd n TYR 33 N -4.33 0.00 -3.67 -1.55 4.01 -1.26 -4.96 117.16 105.40 1vnd n TYR 33 Ca -0.33 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.33 1vnd n TYR 33 Cb 0.73 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.67 1vnd n TYR 33 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1vnd s LEU 34 N 0.00 -0.50 0.52 7.72 2.34 -1.26 -5.18 118.68 122.33 1vnd s LEU 34 Ca 0.00 1.19 -0.02 0.00 0.06 0.00 0.00 54.13 55.36 1vnd s LEU 34 Cb 0.00 1.83 0.01 0.00 -0.56 0.00 0.00 46.19 47.47 1vnd s LEU 34 CO 0.00 -0.22 0.78 -0.94 -1.06 0.00 0.00 176.35 174.92 1vnd s SER 35 N 1.52 5.63 0.43 1.48 1.04 -1.26 -4.72 113.70 117.83 1vnd s SER 35 Ca -0.10 0.40 0.19 0.00 0.48 0.00 0.00 55.95 56.93 1vnd s SER 35 Cb -0.07 -1.49 1.13 0.00 0.10 0.00 0.00 66.02 65.70 1vnd s SER 35 CO -0.16 -0.93 1.86 0.00 0.98 0.00 0.00 173.24 174.99 1vnd h ALA 36 N 0.11 2.28 0.00 5.32 0.00 -2.03 -1.25 119.26 123.68 1vnd h ALA 36 Ca -0.45 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1vnd h ALA 36 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1vnd h ALA 36 CO 0.58 -0.57 -0.27 -1.35 0.00 0.00 0.00 179.25 177.64 1vnd h PRO 37 N 0.35 0.00 0.00 0.00 0.11 -1.99 -2.97 132.00 127.50 1vnd h PRO 37 Ca 0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.54 1vnd h PRO 37 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1vnd h PRO 37 CO -0.16 0.27 -1.65 -0.85 -0.21 0.00 0.00 178.00 175.40 1vnd n GLU 38 N -3.85 0.69 0.05 1.05 0.00 -1.07 -4.23 120.64 113.27 1vnd n GLU 38 Ca -0.02 -0.10 -0.20 0.00 0.00 0.00 0.00 57.16 56.85 1vnd n GLU 38 Cb 0.35 -1.32 -0.13 0.00 0.00 0.00 0.00 31.44 30.35 1vnd n GLU 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1vnd h ARG 39 N 0.00 0.41 0.00 3.44 2.43 -1.32 -3.06 114.38 116.28 1vnd h ARG 39 Ca -0.06 -0.57 -0.04 0.00 -0.81 0.00 0.00 59.98 58.50 1vnd h ARG 39 Cb 0.82 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1vnd h ARG 39 CO 0.00 1.23 -0.42 0.93 -1.51 0.00 0.00 179.97 180.20 1vnd h GLU 40 N -0.14 0.00 0.00 0.20 4.39 -1.77 -3.06 114.58 114.20 1vnd h GLU 40 Ca -0.13 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.41 1vnd h GLU 40 Cb 1.61 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.24 1vnd h GLU 40 CO 0.16 0.14 -0.83 1.25 -1.16 0.00 0.00 179.01 178.58 1vnd h HIS 41 N 0.00 0.00 -0.34 4.33 2.76 -1.74 -2.62 115.15 117.55 1vnd h HIS 41 Ca -0.01 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.00 1vnd h HIS 41 Cb 1.14 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 1vnd h HIS 41 CO 0.00 0.68 -0.40 1.25 -1.30 0.00 0.00 177.93 178.16 1vnd h LEU 42 N 0.00 0.88 -0.43 0.26 7.12 -1.56 -2.64 115.31 118.95 1vnd h LEU 42 Ca -0.04 -0.41 -0.13 0.00 0.13 0.00 0.00 57.88 57.44 1vnd h LEU 42 Cb 1.55 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 41.42 1vnd h LEU 42 CO 0.08 1.17 -0.60 0.00 -0.13 0.00 0.00 178.44 178.96 1vnd h ALA 43 N 0.87 0.75 0.00 1.25 0.00 -1.54 -2.47 119.26 118.11 1vnd h ALA 43 Ca 0.05 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 1vnd h ALA 43 Cb 0.97 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1vnd h ALA 43 CO 0.09 0.75 -1.30 0.77 0.00 0.00 0.00 179.25 179.56 1vnd h SER 44 N 0.00 0.00 0.34 0.00 0.02 -1.55 0.10 113.55 112.46 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 1.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.82 1vnd h SER 44 CO 0.08 0.94 -1.04 0.25 -1.14 0.00 0.00 176.83 175.91 1vnd h LEU 45 N 0.00 0.58 0.00 5.07 7.12 -1.50 -3.36 115.31 123.22 1vnd h LEU 45 Ca -0.14 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.37 1vnd h LEU 45 Cb 1.84 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.79 1vnd h LEU 45 CO 0.10 1.32 -1.84 2.30 -0.13 0.00 0.00 178.44 180.19 1vnd n ILE 46 N -3.72 0.00 -1.11 4.05 -5.35 -0.93 -5.06 119.36 107.24 1vnd n ILE 46 Ca -0.08 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1vnd n ILE 46 Cb 0.89 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 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 -2.14 0.00 -2.35 6.28 3.00 -0.92 -4.98 116.66 115.55 1vnd n ARG 47 Ca -0.03 0.25 -0.03 0.00 -0.00 0.00 0.00 57.85 58.04 1vnd n ARG 47 Cb 0.49 -1.11 -0.01 0.00 0.00 0.00 0.00 32.46 31.83 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 -0.86 0.00 -4.90 6.15 4.77 -0.03 -5.04 117.00 117.10 1vnd n LEU 48 Ca 0.00 -0.48 -0.32 0.00 -0.03 0.00 0.00 56.01 55.18 1vnd n LEU 48 Cb 0.37 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1vnd n LEU 48 CO 0.00 -0.08 -0.04 0.42 -1.33 0.00 0.00 177.39 176.37 1vnd s THR 49 N -2.09 5.25 0.61 -5.08 -4.23 -1.26 -4.63 115.64 104.20 1vnd s THR 49 Ca 0.05 -0.03 0.33 0.00 -1.18 0.00 0.00 61.69 60.86 1vnd s THR 49 Cb 0.00 -3.61 0.38 0.00 1.34 0.00 0.00 72.50 70.61 1vnd s THR 49 CO 0.04 0.15 2.27 -0.65 -0.54 0.00 0.00 174.62 175.89 1vnd h PRO 50 N 3.19 0.00 0.00 3.99 0.11 -1.95 -3.04 132.00 134.29 1vnd h PRO 50 Ca -0.47 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1vnd h PRO 50 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1vnd h PRO 50 CO 0.72 0.00 -1.16 0.00 -0.21 0.00 0.00 178.00 177.35 1vnd h THR 51 N 0.00 0.53 0.06 -1.15 1.03 -1.99 -3.01 112.91 108.38 1vnd h THR 51 Ca 0.01 -1.94 -0.28 0.00 -0.01 0.00 0.00 66.41 64.18 1vnd h THR 51 Cb 0.04 2.07 -0.02 0.00 -1.07 0.00 0.00 68.15 69.16 1vnd h THR 51 CO -0.00 0.30 -1.47 0.06 -0.01 0.00 0.00 175.52 174.40 1vnd h GLN 52 N 0.00 0.13 -0.48 0.00 3.07 -1.97 -2.89 115.11 112.97 1vnd h GLN 52 Ca -0.11 -0.23 -0.08 0.00 0.09 0.00 0.00 58.65 58.32 1vnd h GLN 52 Cb 1.48 0.09 -0.02 0.00 0.08 0.00 0.00 27.48 29.11 1vnd h GLN 52 CO 0.05 0.94 -0.02 -0.24 0.09 0.00 0.00 178.83 179.65 1vnd h VAL 53 N 0.04 1.26 -0.00 1.86 3.04 -1.67 -2.50 116.25 118.28 1vnd h VAL 53 Ca -0.21 -1.10 -0.13 0.00 -1.01 0.00 0.00 66.70 64.25 1vnd h VAL 53 Cb 1.96 1.02 -0.02 0.00 -2.01 0.00 0.00 31.29 32.24 1vnd h VAL 53 CO 0.13 0.38 -0.61 0.50 -1.01 0.00 0.00 177.57 176.97 1vnd h LYS 54 N 0.72 0.01 0.00 4.17 3.11 -1.65 -2.81 116.57 120.11 1vnd h LYS 54 Ca 0.13 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1vnd h LYS 54 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1vnd h LYS 54 CO 0.03 0.61 0.00 -0.89 -2.81 0.00 0.00 179.45 176.39 1vnd n ILE 55 N -3.82 0.50 0.03 2.00 2.08 -1.09 -2.97 119.36 116.09 1vnd n ILE 55 Ca -0.01 -0.21 -0.18 0.00 0.56 0.00 0.00 62.75 62.91 1vnd n ILE 55 Cb 0.61 -0.59 -0.08 0.00 -0.75 0.00 0.00 39.64 38.82 1vnd n ILE 55 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 1vnd h TRP 56 N 0.00 0.95 0.00 1.39 7.01 -1.21 -3.00 115.95 121.09 1vnd h TRP 56 Ca 0.00 -0.49 0.00 0.00 2.11 0.00 0.00 58.89 60.51 1vnd h TRP 56 Cb 0.68 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1vnd h TRP 56 CO 0.00 1.32 -0.10 0.74 -2.79 0.00 0.00 178.44 177.60 1vnd h PHE 57 N 0.39 0.00 -0.17 2.65 -1.00 -1.60 -1.71 116.94 115.51 1vnd h PHE 57 Ca -0.10 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.61 1vnd h PHE 57 Cb 1.59 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.15 1vnd h PHE 57 CO 0.09 0.00 -0.19 0.37 -1.61 0.00 0.00 178.31 176.97 1vnd h GLN 58 N 0.00 0.43 0.00 1.51 4.15 -1.60 -3.41 115.11 116.20 1vnd h GLN 58 Ca 0.00 -0.23 -0.30 0.00 0.77 0.00 0.00 58.65 58.89 1vnd h GLN 58 Cb 0.78 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.43 1vnd h GLN 58 CO 0.00 0.80 -1.99 0.09 -1.93 0.00 0.00 178.83 175.80 1vnd n ASN 59 N -4.48 0.44 -1.76 -0.69 3.02 -1.13 -4.46 115.26 106.19 1vnd n ASN 59 Ca -0.06 0.21 -0.15 0.00 -0.03 0.00 0.00 54.58 54.55 1vnd n ASN 59 Cb 0.39 0.54 0.08 0.00 -0.61 0.00 0.00 39.78 40.19 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 -2.85 1.71 0.06 3.10 -0.00 -0.65 -4.20 115.22 112.39 1vnd n HIS 60 Ca -0.23 -1.50 -0.18 0.00 0.46 0.00 0.00 57.72 56.27 1vnd n HIS 60 Cb 1.05 -0.75 -0.14 0.00 -0.12 0.00 0.00 29.99 30.02 1vnd n HIS 60 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1vnd h ARG 61 N 0.85 0.27 0.00 1.57 -0.00 -1.82 -3.49 114.38 111.76 1vnd h ARG 61 Ca 0.34 -0.46 0.00 0.00 -0.00 0.00 0.00 59.98 59.86 1vnd h ARG 61 Cb 1.68 0.17 0.00 0.00 -0.00 0.00 0.00 29.97 31.82 1vnd h ARG 61 CO 0.69 1.13 0.00 0.66 -0.00 0.00 0.00 179.97 182.45 1vnd n TYR 62 N -3.46 0.00 -1.56 4.08 4.01 -1.26 -3.92 117.16 115.05 1vnd n TYR 62 Ca -0.19 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1vnd n TYR 62 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1vnd n TYR 62 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1vnd n LYS 63 N 0.00 -0.10 -3.51 -0.72 0.00 -1.26 -5.07 118.16 107.50 1vnd n LYS 63 Ca 0.00 0.57 -0.42 0.00 0.00 0.00 0.00 58.31 58.46 1vnd n LYS 63 Cb 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 35.03 33.28 1vnd n LYS 63 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1vnd s THR 64 N -1.40 4.64 -0.73 3.15 -1.32 -1.25 -5.00 115.64 113.72 1vnd s THR 64 Ca 0.01 -2.42 -0.06 0.00 -1.21 0.00 0.00 61.69 58.00 1vnd s THR 64 Cb -0.00 -3.96 -0.13 0.00 -1.51 0.00 0.00 72.50 66.90 1vnd s THR 64 CO 0.03 -0.91 2.70 2.29 -2.21 0.00 0.00 174.62 176.52 1vnd n LYS 65 N 4.10 2.32 -0.09 7.08 2.85 -1.26 -3.26 118.16 129.89 1vnd n LYS 65 Ca 0.05 -1.38 -0.18 0.00 -1.05 0.00 0.00 58.31 55.76 1vnd n LYS 65 Cb 0.42 -2.31 -0.07 0.00 -0.65 0.00 0.00 35.03 32.41 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 3.36 0.42 -3.39 -1.58 3.00 -1.26 -4.73 116.66 112.48 1vnd n ARG 66 Ca 0.50 0.15 -0.44 0.00 -0.00 0.00 0.00 57.85 58.05 1vnd n ARG 66 Cb 0.40 -1.24 -0.07 0.00 0.00 0.00 0.00 32.46 31.55 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 -2.35 3.56 -0.95 5.13 0.00 -1.20 -5.04 121.76 120.90 1vnd s ALA 67 Ca -0.26 -2.14 -0.19 0.00 0.00 0.00 0.00 51.96 49.37 1vnd s ALA 67 Cb 0.09 -3.08 0.12 0.00 0.00 0.00 0.00 23.12 20.25 1vnd s ALA 67 CO 0.36 -1.74 1.19 -0.65 0.00 0.00 0.00 175.76 174.92 1vnd s GLN 68 N 1.64 3.61 -0.44 0.00 -0.21 -1.26 -4.62 119.66 118.37 1vnd s GLN 68 Ca 0.04 -1.67 0.05 0.00 0.02 0.00 0.00 55.36 53.80 1vnd s GLN 68 Cb -0.25 -5.00 0.42 0.00 1.00 0.00 0.00 33.01 29.18 1vnd s GLN 68 CO 0.06 -1.85 1.10 0.09 -2.12 0.00 0.00 175.29 172.57 1vnd n ASN 69 N 6.93 4.63 0.00 5.90 4.13 -1.26 -4.92 115.26 130.67 1vnd n ASN 69 Ca 0.26 -3.70 0.00 0.00 1.68 0.00 0.00 54.58 52.82 1vnd n ASN 69 Cb 0.49 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1vnd n GLU 70 N -0.46 0.00 -3.47 3.52 0.00 -1.26 -4.56 120.64 114.40 1vnd n GLU 70 Ca 0.38 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 57.16 1vnd n GLU 70 Cb 0.65 -0.40 -0.09 0.00 0.00 0.00 0.00 31.44 31.60 1vnd n GLU 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1vnd s LYS 71 N 0.00 4.09 0.00 3.44 1.02 -1.26 -4.40 119.74 122.63 1vnd s LYS 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1vnd s LYS 71 Cb 0.00 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1vnd s LYS 71 CO 0.00 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1vnd n GLY 72 N 4.30 1.18 0.22 -3.33 0.00 -1.26 -4.97 105.19 101.34 1vnd n GLY 72 Ca -0.10 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.70 1.61 3.20 -1.80 -2.90 116.97 115.38 1vnd h TYR 73 Ca 0.00 0.00 -0.65 0.00 3.14 0.00 0.00 58.73 61.22 1vnd h TYR 73 Cb 0.00 0.00 -0.37 0.00 1.54 0.00 0.00 36.73 37.90 1vnd h TYR 73 CO 0.00 0.05 -0.13 0.39 -1.64 0.00 0.00 178.16 176.83 1vnd n GLU 74 N -3.12 3.23 0.00 1.82 1.02 -1.26 -4.65 120.64 117.68 1vnd n GLU 74 Ca 0.03 -4.20 0.00 0.00 -0.02 0.00 0.00 57.16 52.97 1vnd n GLU 74 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 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 -0.49 -1.47 2.60 0.62 0.00 -1.25 -5.05 105.19 100.14 1vnd n GLY 75 Ca 0.44 0.66 -0.23 0.00 0.00 0.00 0.00 46.02 46.88 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 0.30 0.24 -2.00 1.61 3.76 -1.21 -5.12 115.29 112.87 1vnd s HIS 76 Ca 0.00 -1.27 0.24 0.00 -0.15 0.00 0.00 55.06 53.88 1vnd s HIS 76 Cb 0.00 -0.67 1.42 0.00 1.11 0.00 0.00 32.58 34.44 1vnd s HIS 76 CO 0.00 -0.90 1.78 -0.35 -0.85 0.00 0.00 174.74 174.43