#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpm s SER 4 N 0.00 -0.11 0.05 1.69 1.04 -1.26 -0.35 113.70 114.76 1vpm s SER 4 Ca 0.00 -0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.30 1vpm s SER 4 Cb 0.00 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1vpm s SER 4 CO 0.00 -0.56 -0.09 -0.31 0.98 0.00 0.00 173.24 173.26 1vpm s TYR 5 N -2.24 0.76 0.69 5.02 2.02 -0.47 -4.92 117.35 118.22 1vpm s TYR 5 Ca -0.07 -0.51 -0.16 0.00 -0.37 0.00 0.00 57.07 55.96 1vpm s TYR 5 Cb -0.02 -0.45 0.01 0.00 -0.40 0.00 0.00 41.96 41.11 1vpm s TYR 5 CO -0.02 -0.06 1.24 -2.14 -1.57 0.00 0.00 175.55 173.00 1vpm s PRO 6 N -1.67 2.35 0.33 -1.71 0.02 -1.26 -0.21 135.00 132.85 1vpm s PRO 6 Ca -0.08 1.89 0.07 0.00 0.02 0.00 0.00 61.00 62.90 1vpm s PRO 6 Cb -0.10 -1.84 0.76 0.00 0.02 0.00 0.00 34.50 33.34 1vpm s PRO 6 CO 0.01 -1.70 1.84 0.28 -0.33 0.00 0.00 177.00 177.10 1vpm h VAL 7 N 0.12 0.82 0.00 3.83 2.07 -1.84 -2.19 116.25 119.06 1vpm h VAL 7 Ca -0.49 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1vpm h VAL 7 Cb 1.31 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1vpm h VAL 7 CO 0.51 0.14 -0.05 -0.08 0.02 0.00 0.00 177.57 178.11 1vpm h GLU 8 N 0.75 0.00 -0.35 1.57 4.57 -1.91 -2.36 114.58 116.85 1vpm h GLU 8 Ca 0.48 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.64 1vpm h GLU 8 Cb 0.73 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 1vpm h GLU 8 CO -0.25 0.05 0.11 -0.09 -1.18 0.00 0.00 179.01 177.65 1vpm h ARG 9 N 0.00 0.51 -0.01 1.92 2.43 -1.76 -2.94 114.38 114.53 1vpm h ARG 9 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1vpm h ARG 9 Cb 0.13 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1vpm h ARG 9 CO 0.01 0.45 -0.41 -1.13 -1.51 0.00 0.00 179.97 177.37 1vpm n SER 10 N -4.36 1.14 -4.68 -3.80 3.41 -0.93 -4.87 113.62 99.52 1vpm n SER 10 Ca 0.02 -1.07 -0.44 0.00 -0.26 0.00 0.00 58.87 57.12 1vpm n SER 10 Cb 0.17 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 64.77 1vpm n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1vpm n ARG 11 N -0.62 2.15 -4.55 4.33 0.63 -0.98 -4.56 116.66 113.07 1vpm n ARG 11 Ca 0.04 0.77 -0.22 0.00 -0.92 0.00 0.00 57.85 57.52 1vpm n ARG 11 Cb 0.26 -2.46 -0.15 0.00 0.45 0.00 0.00 32.46 30.55 1vpm n ARG 11 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1vpm s THR 12 N 0.08 1.00 -0.01 5.15 2.01 -0.35 -4.99 115.64 118.53 1vpm s THR 12 Ca 0.69 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 62.26 1vpm s THR 12 Cb -0.63 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1vpm s THR 12 CO 0.48 0.30 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.84 1vpm s ILE 13 N 0.01 2.25 0.01 1.82 -1.09 -1.26 -1.06 121.20 121.88 1vpm s ILE 13 Ca -0.01 -1.11 0.01 0.00 -2.23 0.00 0.00 60.65 57.31 1vpm s ILE 13 Cb -0.08 -1.82 -0.01 0.00 -1.58 0.00 0.00 42.46 38.97 1vpm s ILE 13 CO 0.01 0.53 -0.04 -1.10 -1.23 0.00 0.00 174.94 173.11 1vpm s GLN 14 N -0.79 0.31 -0.06 2.79 -0.21 -0.22 -5.00 119.66 116.49 1vpm s GLN 14 Ca 0.11 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.09 1vpm s GLN 14 Cb -0.10 -0.13 0.02 0.00 1.00 0.00 0.00 33.01 33.81 1vpm s GLN 14 CO 0.00 0.02 -0.03 0.99 -2.12 0.00 0.00 175.29 174.15 1vpm s THR 15 N -0.78 0.50 -0.04 -0.19 2.01 -1.26 -0.84 115.64 115.05 1vpm s THR 15 Ca -0.07 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1vpm s THR 15 Cb -0.06 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1vpm s THR 15 CO -0.00 0.24 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.91 1vpm s ARG 16 N 1.31 1.35 0.04 4.92 0.52 0.05 -4.96 118.95 122.19 1vpm s ARG 16 Ca -0.05 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.42 1vpm s ARG 16 Cb -0.14 -1.20 -0.05 0.00 0.52 0.00 0.00 34.95 34.08 1vpm s ARG 16 CO -0.02 0.16 1.13 -1.17 0.02 0.00 0.00 175.30 175.41 1vpm s LEU 17 N 0.18 4.37 -0.31 2.53 2.96 -1.26 0.20 118.68 127.35 1vpm s LEU 17 Ca -0.04 1.91 -0.28 0.00 -0.22 0.00 0.00 54.13 55.49 1vpm s LEU 17 Cb -0.10 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.02 1vpm s LEU 17 CO 0.01 -0.40 1.04 -0.69 -1.32 0.00 0.00 176.35 174.99 1vpm s VAL 18 N 1.04 4.56 0.17 1.68 1.01 -0.14 -4.91 120.40 123.81 1vpm s VAL 18 Ca 0.57 1.70 0.11 0.00 0.00 0.00 0.00 61.98 64.36 1vpm s VAL 18 Cb -0.27 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 1vpm s VAL 18 CO 0.29 -0.43 -0.23 -0.76 0.00 0.00 0.00 175.10 173.97 1vpm s LEU 19 N 3.53 2.48 0.20 3.92 1.43 -1.26 -3.60 118.68 125.38 1vpm s LEU 19 Ca 0.44 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1vpm s LEU 19 Cb -0.13 -1.25 0.32 0.00 0.03 0.00 0.00 46.19 45.16 1vpm s LEU 19 CO 0.14 0.14 1.15 -2.65 0.23 0.00 0.00 176.35 175.36 1vpm n PRO 20 N 0.44 -0.08 0.28 1.29 -0.02 -1.26 0.10 135.00 135.76 1vpm n PRO 20 Ca -0.14 1.15 0.12 0.00 -2.02 0.00 0.00 63.50 62.62 1vpm n PRO 20 Cb 0.55 -1.72 0.81 0.00 -0.02 0.00 0.00 33.50 33.12 1vpm n PRO 20 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1vpm h PRO 21 N 0.00 0.00 0.00 0.52 0.13 -1.99 -0.87 132.00 129.78 1vpm h PRO 21 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 1vpm h PRO 21 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1vpm h PRO 21 CO -0.76 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 176.77 1vpm n ASP 22 N -4.09 0.56 -4.54 1.44 8.00 0.29 -4.89 116.55 113.32 1vpm n ASP 22 Ca -0.03 0.62 -0.26 0.00 0.71 0.00 0.00 54.79 55.83 1vpm n ASP 22 Cb 0.09 -0.75 -0.11 0.00 -0.02 0.00 0.00 41.12 40.34 1vpm n ASP 22 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1vpm s THR 23 N -3.23 2.20 0.51 -3.53 -4.23 -0.33 -1.63 115.64 105.41 1vpm s THR 23 Ca 0.06 -2.20 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 1vpm s THR 23 Cb 0.10 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.31 1vpm s THR 23 CO 0.41 -0.20 0.74 0.54 -0.54 0.00 0.00 174.62 175.56 1vpm s ASN 24 N -3.60 5.46 0.00 3.99 4.22 0.10 -4.84 114.94 120.27 1vpm s ASN 24 Ca 0.32 0.07 0.00 0.00 -2.14 0.00 0.00 52.86 51.11 1vpm s ASN 24 Cb 0.03 -1.07 0.00 0.00 1.28 0.00 0.00 41.25 41.48 1vpm s ASN 24 CO 0.16 -0.99 0.93 0.00 -2.04 0.00 0.00 177.10 175.16 1vpm n HIS 25 N -2.24 0.00 0.17 1.54 1.44 -1.26 0.30 115.22 115.17 1vpm n HIS 25 Ca 0.06 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.88 1vpm n HIS 25 Cb 0.59 -0.43 0.26 0.00 0.12 0.00 0.00 29.99 30.53 1vpm n HIS 25 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1vpm n LEU 26 N -1.43 3.46 -0.05 2.39 4.77 -1.26 -4.98 117.00 119.91 1vpm n LEU 26 Ca 0.00 -1.59 -0.01 0.00 -0.03 0.00 0.00 56.01 54.39 1vpm n LEU 26 Cb 0.06 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1vpm n LEU 26 CO 0.00 0.79 -0.01 0.61 -1.33 0.00 0.00 177.39 177.46 1vpm n GLY 27 N 1.53 0.47 3.83 -0.72 0.00 0.88 -5.01 105.19 106.16 1vpm n GLY 27 Ca 0.21 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1vpm n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vpm s THR 28 N -1.99 4.90 0.33 2.61 2.01 -1.25 -2.18 115.64 120.07 1vpm s THR 28 Ca 0.00 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 1vpm s THR 28 Cb 0.00 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 1vpm s THR 28 CO 0.00 0.57 1.40 -0.51 -0.69 0.00 0.00 174.62 175.39 1vpm s ILE 29 N -1.09 2.48 0.27 1.82 2.07 0.12 0.03 121.20 126.89 1vpm s ILE 29 Ca 0.26 0.46 -0.30 0.00 -1.41 0.00 0.00 60.65 59.66 1vpm s ILE 29 Cb -0.18 -3.29 -0.10 0.00 0.13 0.00 0.00 42.46 39.02 1vpm s ILE 29 CO 0.16 0.10 1.42 -0.36 -1.91 0.00 0.00 174.94 174.35 1vpm s PHE 30 N -0.87 3.01 0.30 3.50 0.08 -0.65 -4.83 117.98 118.52 1vpm s PHE 30 Ca 0.53 1.09 0.05 0.00 0.12 0.00 0.00 56.93 58.72 1vpm s PHE 30 Cb -0.43 -3.81 0.73 0.00 -0.57 0.00 0.00 43.02 38.95 1vpm s PHE 30 CO 0.54 -2.56 1.75 0.78 -0.10 0.00 0.00 175.22 175.64 1vpm h GLY 31 N 4.71 1.71 2.00 4.36 0.00 -1.92 -1.17 103.07 112.76 1vpm h GLY 31 Ca -0.47 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.51 1vpm h GLY 31 CO 0.75 -0.12 -0.21 -1.33 0.00 0.00 0.00 176.54 175.64 1vpm h GLY 32 N 0.66 0.00 1.33 4.60 0.00 -1.96 -1.31 103.07 106.39 1vpm h GLY 32 Ca 0.57 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.67 1vpm h GLY 32 CO -0.42 0.00 -0.87 0.50 0.00 0.00 0.00 176.54 175.75 1vpm h LYS 33 N 0.00 0.63 -0.57 4.80 1.79 -1.55 -1.71 116.57 119.96 1vpm h LYS 33 Ca -0.00 -0.58 -0.02 0.00 -2.18 0.00 0.00 60.65 57.87 1vpm h LYS 33 Cb 0.59 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 1vpm h LYS 33 CO 0.03 1.20 0.29 0.28 -1.08 0.00 0.00 179.45 180.16 1vpm h VAL 34 N 0.40 1.20 -0.87 0.50 2.07 -1.16 -0.86 116.25 117.53 1vpm h VAL 34 Ca -0.08 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1vpm h VAL 34 Cb 1.50 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1vpm h VAL 34 CO 0.17 0.22 0.54 -0.07 0.02 0.00 0.00 177.57 178.45 1vpm h LEU 35 N 0.77 1.03 -0.55 2.57 3.38 -1.16 -0.03 115.31 121.32 1vpm h LEU 35 Ca 0.20 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1vpm h LEU 35 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1vpm h LEU 35 CO -0.03 0.78 0.09 0.00 0.09 0.00 0.00 178.44 179.37 1vpm h ALA 36 N 1.40 0.73 -0.30 1.53 0.00 -0.85 -1.37 119.26 120.40 1vpm h ALA 36 Ca 0.31 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1vpm h ALA 36 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1vpm h ALA 36 CO -0.06 0.46 -0.29 1.88 0.00 0.00 0.00 179.25 181.24 1vpm h TYR 37 N 0.79 0.71 -0.32 0.00 0.05 -0.83 -1.01 116.97 116.36 1vpm h TYR 37 Ca 0.17 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1vpm h TYR 37 Cb 0.40 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 1vpm h TYR 37 CO 0.03 0.84 0.16 0.82 -1.05 0.00 0.00 178.16 178.96 1vpm h ILE 38 N 0.53 1.15 -0.52 -2.88 2.04 -0.65 -1.60 117.51 115.59 1vpm h ILE 38 Ca 0.07 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 1vpm h ILE 38 Cb 0.77 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1vpm h ILE 38 CO 0.06 0.16 0.03 -0.78 0.00 0.00 0.00 178.15 177.62 1vpm h ASP 39 N 0.38 0.88 -0.36 1.72 3.58 -1.10 -0.21 116.42 121.30 1vpm h ASP 39 Ca 0.11 -0.29 0.05 0.00 0.42 0.00 0.00 57.03 57.32 1vpm h ASP 39 Cb 0.11 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 40.88 1vpm h ASP 39 CO -0.01 0.95 0.07 -0.08 -2.88 0.00 0.00 179.24 177.29 1vpm h GLU 40 N 0.78 0.18 -0.23 0.28 4.81 -1.01 0.98 114.58 120.37 1vpm h GLU 40 Ca 0.15 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1vpm h GLU 40 Cb 0.48 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1vpm h GLU 40 CO 0.02 0.12 -0.41 0.97 -0.73 0.00 0.00 179.01 178.98 1vpm h ILE 41 N 0.19 1.30 -0.55 2.32 2.10 -1.09 -0.99 117.51 120.79 1vpm h ILE 41 Ca 0.17 -1.58 -0.07 0.00 1.08 0.00 0.00 64.86 64.45 1vpm h ILE 41 Cb 0.20 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 37.48 1vpm h ILE 41 CO -0.23 0.50 0.05 0.00 -1.08 0.00 0.00 178.15 177.39 1vpm h ALA 42 N 1.11 1.05 -0.07 0.18 0.00 -0.54 -0.92 119.26 120.07 1vpm h ALA 42 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1vpm h ALA 42 Cb 0.91 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vpm h ALA 42 CO 0.08 0.60 0.01 0.00 0.00 0.00 0.00 179.25 179.94 1vpm h ALA 43 N 1.20 0.09 -0.74 0.00 0.00 -0.43 0.65 119.26 120.03 1vpm h ALA 43 Ca 0.17 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1vpm h ALA 43 Cb 0.43 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1vpm h ALA 43 CO 0.02 -0.26 0.43 -0.07 0.00 0.00 0.00 179.25 179.37 1vpm h LEU 44 N -0.14 0.66 -0.13 0.00 3.38 -1.09 -2.88 115.31 115.10 1vpm h LEU 44 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1vpm h LEU 44 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1vpm h LEU 44 CO 0.00 0.42 0.04 0.74 0.09 0.00 0.00 178.44 179.74 1vpm h THR 45 N 0.79 1.17 0.00 0.22 2.02 -0.89 -1.73 112.91 114.49 1vpm h THR 45 Ca 0.33 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1vpm h THR 45 Cb 0.18 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1vpm h THR 45 CO -0.18 0.16 0.00 0.00 0.37 0.00 0.00 175.52 175.87 1vpm n ALA 46 N -2.23 1.74 0.00 6.16 0.00 0.20 -1.81 120.51 124.56 1vpm n ALA 46 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1vpm n ALA 46 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1vpm n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vpm n LYS 48 N 0.79 0.00 -0.09 0.00 5.02 -0.65 -0.82 118.16 122.41 1vpm n LYS 48 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1vpm n LYS 48 Cb 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.10 1vpm n LYS 48 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1vpm h HIS 49 N 0.00 0.67 0.00 2.13 2.76 -1.63 -3.36 115.15 115.72 1vpm h HIS 49 Ca 0.00 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1vpm h HIS 49 Cb 0.00 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.81 1vpm h HIS 49 CO 0.00 0.85 -1.10 0.00 -1.30 0.00 0.00 177.93 176.38 1vpm n ALA 50 N -2.44 3.22 -3.76 5.26 0.00 -0.00 -4.71 120.51 118.08 1vpm n ALA 50 Ca -0.04 -0.39 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 1vpm n ALA 50 Cb 0.38 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.88 1vpm n ALA 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vpm n ASN 51 N -2.09 -2.31 -3.60 0.00 4.13 -1.26 -4.91 115.26 105.22 1vpm n ASN 51 Ca 0.01 -0.94 -0.15 0.00 1.68 0.00 0.00 54.58 55.18 1vpm n ASN 51 Cb 0.46 -3.57 -0.06 0.00 -1.54 0.00 0.00 39.78 35.07 1vpm n ASN 51 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1vpm s SER 52 N -4.07 -0.47 0.54 6.41 0.01 -1.26 -5.08 113.70 109.79 1vpm s SER 52 Ca 0.16 0.38 -0.20 0.00 1.31 0.00 0.00 55.95 57.61 1vpm s SER 52 Cb -0.05 0.46 -0.07 0.00 0.21 0.00 0.00 66.02 66.57 1vpm s SER 52 CO 0.85 -0.60 0.83 0.00 0.41 0.00 0.00 173.24 174.73 1vpm n ALA 53 N 0.85 -0.28 -2.25 1.44 0.00 -1.25 -4.83 120.51 114.19 1vpm n ALA 53 Ca -0.19 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1vpm n ALA 53 Cb 0.58 -2.01 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 1vpm n ALA 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1vpm s VAL 54 N -1.52 0.84 0.12 0.00 -7.23 -1.26 -0.92 120.40 110.44 1vpm s VAL 54 Ca 0.70 -1.91 0.06 0.00 -1.81 0.00 0.00 61.98 59.03 1vpm s VAL 54 Cb -0.46 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1vpm s VAL 54 CO 0.52 -0.79 -0.15 0.68 -0.31 0.00 0.00 175.10 175.05 1vpm s VAL 55 N -3.34 1.39 -0.34 1.32 -7.23 -0.28 -4.92 120.40 107.00 1vpm s VAL 55 Ca 0.12 -1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 58.36 1vpm s VAL 55 Cb 0.03 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.42 1vpm s VAL 55 CO -0.03 -0.39 0.66 -0.89 -0.31 0.00 0.00 175.10 174.15 1vpm s THR 56 N -2.07 4.87 0.03 5.32 2.01 -1.26 -0.87 115.64 123.67 1vpm s THR 56 Ca 0.09 0.71 -0.16 0.00 0.31 0.00 0.00 61.69 62.65 1vpm s THR 56 Cb -0.05 -4.08 -0.36 0.00 0.01 0.00 0.00 72.50 68.02 1vpm s THR 56 CO 0.03 -0.29 0.98 0.00 -0.69 0.00 0.00 174.62 174.65 1vpm h ALA 57 N 8.39 -0.15 -2.46 7.40 0.00 -1.42 -3.48 119.26 127.53 1vpm h ALA 57 Ca -0.26 -0.87 0.09 0.00 0.00 0.00 0.00 54.91 53.87 1vpm h ALA 57 Cb 1.11 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 1vpm h ALA 57 CO 0.84 0.70 0.43 -1.54 0.00 0.00 0.00 179.25 179.68 1vpm s SER 58 N -7.58 -0.37 -0.00 0.00 1.04 -1.14 -5.00 113.70 100.64 1vpm s SER 58 Ca -0.09 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.31 1vpm s SER 58 Cb 0.04 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 1vpm s SER 58 CO 0.94 -0.76 -0.18 -0.51 0.98 0.00 0.00 173.24 173.72 1vpm s ILE 59 N -3.30 1.40 0.97 -1.02 2.07 -1.26 -1.41 121.20 118.65 1vpm s ILE 59 Ca 0.06 -0.82 -0.14 0.00 -1.41 0.00 0.00 60.65 58.34 1vpm s ILE 59 Cb -0.01 -1.18 0.18 0.00 0.13 0.00 0.00 42.46 41.58 1vpm s ILE 59 CO -0.07 0.34 1.17 -1.81 -1.91 0.00 0.00 174.94 172.66 1vpm s ASP 60 N -0.55 2.97 0.46 4.50 1.01 0.05 -4.99 116.67 120.11 1vpm s ASP 60 Ca 0.06 0.76 -0.23 0.00 0.71 0.00 0.00 52.55 53.85 1vpm s ASP 60 Cb -0.07 -1.17 -0.09 0.00 1.01 0.00 0.00 42.92 42.60 1vpm s ASP 60 CO -0.00 -2.87 1.09 -1.54 0.21 0.00 0.00 175.17 172.06 1vpm n SER 61 N -3.94 1.60 -4.00 0.27 3.41 -1.26 -4.77 113.62 104.93 1vpm n SER 61 Ca 0.09 1.01 -0.30 0.00 -0.26 0.00 0.00 58.87 59.42 1vpm n SER 61 Cb 0.59 -1.41 -0.16 0.00 -0.26 0.00 0.00 64.21 62.97 1vpm n SER 61 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1vpm s VAL 62 N -1.30 1.57 -0.26 -3.33 1.01 -1.26 -4.74 120.40 112.09 1vpm s VAL 62 Ca 0.65 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 1vpm s VAL 62 Cb -0.51 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1vpm s VAL 62 CO 0.55 0.29 0.13 -1.81 0.00 0.00 0.00 175.10 174.26 1vpm s ASP 63 N 1.45 5.61 -0.50 3.32 1.01 -1.26 -5.06 116.67 121.24 1vpm s ASP 63 Ca 0.01 -0.09 -0.23 0.00 0.71 0.00 0.00 52.55 52.96 1vpm s ASP 63 Cb -0.15 -2.02 0.04 0.00 1.01 0.00 0.00 42.92 41.80 1vpm s ASP 63 CO -0.09 -0.03 0.82 -0.36 0.21 0.00 0.00 175.17 175.72 1vpm s PHE 64 N 1.59 2.92 -0.22 4.23 0.08 -1.26 -4.52 117.98 120.80 1vpm s PHE 64 Ca 0.07 -0.06 0.18 0.00 0.12 0.00 0.00 56.93 57.24 1vpm s PHE 64 Cb -0.15 -3.81 0.08 0.00 -0.57 0.00 0.00 43.02 38.57 1vpm s PHE 64 CO 0.07 -1.15 1.33 0.87 -0.10 0.00 0.00 175.22 176.24 1vpm h LYS 65 N 9.12 0.00 -3.36 0.44 6.56 -0.84 -3.47 116.57 125.02 1vpm h LYS 65 Ca -0.26 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.32 1vpm h LYS 65 Cb 1.08 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.66 1vpm h LYS 65 CO 1.01 0.30 0.02 -1.54 -2.06 0.00 0.00 179.45 177.19 1vpm s SER 66 N -6.17 -0.20 0.46 0.86 1.04 -1.25 -4.98 113.70 103.47 1vpm s SER 66 Ca 0.03 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 55.87 1vpm s SER 66 Cb 0.07 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.83 1vpm s SER 66 CO 0.75 -1.15 0.63 -0.94 0.98 0.00 0.00 173.24 173.50 1vpm s SER 67 N -2.93 5.54 0.05 7.02 1.04 -1.26 -4.79 113.70 118.37 1vpm s SER 67 Ca 0.14 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.24 1vpm s SER 67 Cb -0.02 -0.62 -0.02 0.00 0.10 0.00 0.00 66.02 65.46 1vpm s SER 67 CO 0.03 -0.88 -0.14 0.00 0.98 0.00 0.00 173.24 173.23 1vpm s ALA 68 N -2.45 1.16 0.24 5.32 0.00 -1.26 -4.85 121.76 119.91 1vpm s ALA 68 Ca 0.56 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.73 1vpm s ALA 68 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1vpm s ALA 68 CO 0.34 0.19 -0.12 0.99 0.00 0.00 0.00 175.76 177.17 1vpm s THR 69 N -1.02 2.95 0.50 0.00 2.01 -1.26 -0.70 115.64 118.12 1vpm s THR 69 Ca -0.00 -2.01 -0.23 0.00 0.31 0.00 0.00 61.69 59.75 1vpm s THR 69 Cb -0.09 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.84 1vpm s THR 69 CO 0.02 -0.28 1.41 0.55 -0.69 0.00 0.00 174.62 175.62 1vpm n VAL 70 N -0.42 3.39 -3.22 3.82 3.14 -0.93 -0.02 118.33 124.09 1vpm n VAL 70 Ca -0.08 -0.50 -0.45 0.00 -2.96 0.00 0.00 64.34 60.36 1vpm n VAL 70 Cb 0.58 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 1vpm n VAL 70 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vpm n GLY 71 N 0.66 4.22 3.48 7.55 0.00 -1.24 -5.06 105.19 114.80 1vpm n GLY 71 Ca 0.08 -2.50 -0.31 0.00 0.00 0.00 0.00 46.02 43.28 1vpm n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vpm n ASP 72 N 2.97 -1.34 -4.81 1.61 8.00 0.98 -4.70 116.55 119.26 1vpm n ASP 72 Ca 0.26 0.19 -0.37 0.00 0.71 0.00 0.00 54.79 55.58 1vpm n ASP 72 Cb 0.39 -1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.17 1vpm n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vpm s ALA 73 N -2.44 3.68 -0.22 2.24 0.00 0.55 -0.96 121.76 124.61 1vpm s ALA 73 Ca 0.62 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1vpm s ALA 73 Cb -0.21 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1vpm s ALA 73 CO 0.64 0.37 0.12 -1.17 0.00 0.00 0.00 175.76 175.72 1vpm s LEU 74 N -0.54 3.99 -0.15 0.00 2.96 0.13 -0.18 118.68 124.89 1vpm s LEU 74 Ca 0.21 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.19 1vpm s LEU 74 Cb -0.15 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 1vpm s LEU 74 CO 0.09 0.10 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.50 1vpm s GLU 75 N 0.87 3.40 0.02 1.98 2.02 0.12 -0.77 118.70 126.34 1vpm s GLU 75 Ca 0.06 -0.66 0.06 0.00 0.02 0.00 0.00 54.97 54.46 1vpm s GLU 75 Cb -0.13 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 1vpm s GLU 75 CO 0.03 0.12 -0.19 -0.51 0.02 0.00 0.00 175.26 174.73 1vpm s LEU 76 N 0.60 2.12 -0.02 1.80 1.02 -0.02 -0.55 118.68 123.64 1vpm s LEU 76 Ca -0.06 -0.45 0.02 0.00 0.02 0.00 0.00 54.13 53.66 1vpm s LEU 76 Cb -0.15 -0.93 0.00 0.00 0.02 0.00 0.00 46.19 45.13 1vpm s LEU 76 CO 0.03 0.17 -0.08 -0.70 0.02 0.00 0.00 176.35 175.79 1vpm s GLU 77 N -0.91 0.82 0.03 1.70 2.12 -0.32 -1.05 118.70 121.09 1vpm s GLU 77 Ca 0.07 -0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.15 1vpm s GLU 77 Cb -0.08 -0.78 -0.02 0.00 0.26 0.00 0.00 34.13 33.51 1vpm s GLU 77 CO 0.01 0.11 -0.08 0.20 -0.54 0.00 0.00 175.26 174.97 1vpm s GLY 78 N 0.12 0.47 0.04 -1.50 0.00 -0.23 -1.31 107.32 104.92 1vpm s GLY 78 Ca -0.02 -0.64 -0.23 0.00 0.00 0.00 0.00 44.72 43.83 1vpm s GLY 78 CO 0.00 -0.67 0.54 -0.11 0.00 0.00 0.00 173.10 172.86 1vpm s PHE 79 N -1.04 -0.46 0.00 1.90 -0.12 -0.67 -1.21 117.98 116.38 1vpm s PHE 79 Ca -0.06 0.55 -0.30 0.00 -0.05 0.00 0.00 56.93 57.06 1vpm s PHE 79 Cb -0.08 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1vpm s PHE 79 CO 0.00 -0.64 1.08 0.08 -0.05 0.00 0.00 175.22 175.69 1vpm s VAL 80 N -2.31 4.50 -0.10 -2.49 1.01 -1.26 -0.85 120.40 118.90 1vpm s VAL 80 Ca -0.06 1.80 0.17 0.00 0.00 0.00 0.00 61.98 63.88 1vpm s VAL 80 Cb -0.01 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.98 1vpm s VAL 80 CO -0.01 0.11 0.21 0.35 0.00 0.00 0.00 175.10 175.76 1vpm n THR 81 N 4.08 0.65 -3.56 3.92 -2.24 -0.09 -4.77 114.28 112.26 1vpm n THR 81 Ca 0.08 -0.59 -0.07 0.00 -2.27 0.00 0.00 64.05 61.20 1vpm n THR 81 Cb 0.49 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 1vpm n THR 81 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1vpm s HIS 82 N -2.79 -0.26 0.05 4.78 2.46 -1.24 -4.03 115.29 114.26 1vpm s HIS 82 Ca -0.08 0.28 0.02 0.00 0.47 0.00 0.00 55.06 55.76 1vpm s HIS 82 Cb 0.08 0.50 -0.03 0.00 -0.13 0.00 0.00 32.58 33.01 1vpm s HIS 82 CO 0.73 -0.34 -0.08 0.95 -2.47 0.00 0.00 174.74 173.52 1vpm s THR 83 N -2.16 0.58 0.00 0.89 -4.23 -1.26 -0.78 115.64 108.68 1vpm s THR 83 Ca 0.05 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1vpm s THR 83 Cb -0.01 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1vpm s THR 83 CO -0.05 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1vpm n GLY 84 N 1.26 3.29 0.05 3.99 0.00 -0.14 -4.99 105.19 108.65 1vpm n GLY 84 Ca -0.21 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 1vpm n GLY 84 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1vpm h ARG 85 N 0.00 -0.00 0.00 1.61 2.43 -1.97 -3.36 114.38 113.09 1vpm h ARG 85 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1vpm h ARG 85 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1vpm h ARG 85 CO 0.00 0.22 0.00 0.25 -1.51 0.00 0.00 179.97 178.93 1vpm n THR 86 N -4.99 0.28 -3.41 0.20 -2.24 -1.26 -1.48 114.28 101.38 1vpm n THR 86 Ca -0.08 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1vpm n THR 86 Cb 0.13 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1vpm n THR 86 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1vpm n SER 87 N -0.14 1.92 -4.06 3.42 3.41 -1.26 -1.60 113.62 115.31 1vpm n SER 87 Ca 0.00 -0.41 -0.25 0.00 -0.26 0.00 0.00 58.87 57.96 1vpm n SER 87 Cb 0.12 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.91 1vpm n SER 87 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1vpm s GLU 89 N -0.22 1.67 -0.09 4.33 2.12 0.04 -0.97 118.70 125.58 1vpm s GLU 89 Ca 0.00 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.90 1vpm s GLU 89 Cb 0.00 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 32.99 1vpm s GLU 89 CO 0.00 0.10 -0.21 0.08 -0.54 0.00 0.00 175.26 174.69 1vpm s VAL 90 N 0.43 1.84 -0.18 3.70 1.01 -0.15 -0.92 120.40 126.13 1vpm s VAL 90 Ca -0.10 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1vpm s VAL 90 Cb -0.14 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1vpm s VAL 90 CO 0.03 0.51 0.24 -0.47 0.00 0.00 0.00 175.10 175.41 1vpm s TYR 91 N 0.45 3.43 -0.06 5.22 5.04 -0.03 -0.72 117.35 130.68 1vpm s TYR 91 Ca -0.17 0.49 0.04 0.00 -2.44 0.00 0.00 57.07 54.99 1vpm s TYR 91 Cb -0.17 -2.29 -0.00 0.00 0.35 0.00 0.00 41.96 39.84 1vpm s TYR 91 CO 0.07 0.22 -0.18 0.08 -1.34 0.00 0.00 175.55 174.40 1vpm s VAL 92 N 0.54 1.57 -0.11 3.14 1.01 -0.30 -1.68 120.40 124.58 1vpm s VAL 92 Ca 0.13 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1vpm s VAL 92 Cb -0.12 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1vpm s VAL 92 CO 0.02 0.45 -0.21 -0.60 0.00 0.00 0.00 175.10 174.77 1vpm s ARG 93 N 0.17 2.73 -0.09 2.72 3.52 -0.43 -1.22 118.95 126.35 1vpm s ARG 93 Ca -0.08 -0.76 0.04 0.00 -0.13 0.00 0.00 55.73 54.80 1vpm s ARG 93 Cb -0.14 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.10 1vpm s ARG 93 CO 0.04 0.08 -0.22 0.08 -0.81 0.00 0.00 175.30 174.47 1vpm s VAL 94 N 0.59 2.32 0.16 7.11 1.01 -0.09 -1.17 120.40 130.32 1vpm s VAL 94 Ca -0.14 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.00 1vpm s VAL 94 Cb -0.17 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1vpm s VAL 94 CO 0.04 0.56 -0.23 -1.00 0.00 0.00 0.00 175.10 174.47 1vpm s HIS 95 N 0.10 2.12 -0.04 5.22 3.76 0.29 -0.58 115.29 126.16 1vpm s HIS 95 Ca -0.10 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 54.41 1vpm s HIS 95 Cb -0.16 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 1vpm s HIS 95 CO 0.06 0.39 0.01 -1.54 -0.85 0.00 0.00 174.74 172.81 1vpm s SER 96 N -2.46 5.24 -0.16 1.40 1.04 -0.16 -0.71 113.70 117.90 1vpm s SER 96 Ca 0.16 0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.66 1vpm s SER 96 Cb -0.08 -1.43 0.04 0.00 0.10 0.00 0.00 66.02 64.65 1vpm s SER 96 CO 0.08 0.32 -0.02 0.21 0.98 0.00 0.00 173.24 174.80 1vpm s ASN 97 N -1.31 2.68 -0.53 7.02 3.84 0.75 -0.91 114.94 126.47 1vpm s ASN 97 Ca 0.17 -0.62 -0.26 0.00 0.21 0.00 0.00 52.86 52.37 1vpm s ASN 97 Cb -0.11 -0.77 0.03 0.00 -0.55 0.00 0.00 41.25 39.85 1vpm s ASN 97 CO 0.08 -0.21 1.00 0.21 -2.79 0.00 0.00 177.10 175.39 1vpm s ASN 98 N 1.73 6.42 0.42 -4.21 3.84 0.53 -0.33 114.94 123.35 1vpm s ASN 98 Ca 0.01 -0.07 0.23 0.00 0.21 0.00 0.00 52.86 53.24 1vpm s ASN 98 Cb -0.15 -2.47 0.66 0.00 -0.55 0.00 0.00 41.25 38.73 1vpm s ASN 98 CO -0.07 -1.24 1.71 -0.07 -2.79 0.00 0.00 177.10 174.64 1vpm h LEU 99 N 11.09 0.00 -0.12 3.21 3.38 -1.86 0.21 115.31 131.22 1vpm h LEU 99 Ca -0.25 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 1vpm h LEU 99 Cb 1.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1vpm h LEU 99 CO 1.10 0.21 -0.50 -0.07 0.09 0.00 0.00 178.44 179.27 1vpm h LEU 100 N 0.00 0.64 0.00 1.67 4.07 -1.93 -3.34 115.31 116.42 1vpm h LEU 100 Ca -0.00 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1vpm h LEU 100 Cb 0.92 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1vpm h LEU 100 CO 0.03 1.16 -1.15 0.35 -1.08 0.00 0.00 178.44 177.76 1vpm n THR 101 N -4.22 0.20 -0.69 0.22 -2.24 -1.16 -4.98 114.28 101.41 1vpm n THR 101 Ca -0.08 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1vpm n THR 101 Cb 0.60 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1vpm n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vpm n GLY 102 N 1.34 1.62 3.67 3.38 0.00 0.73 -5.02 105.19 110.91 1vpm n GLY 102 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1vpm n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vpm s GLU 103 N -0.00 4.22 -0.08 1.61 2.12 -1.20 -4.80 118.70 120.56 1vpm s GLU 103 Ca 0.00 2.09 0.04 0.00 0.36 0.00 0.00 54.97 57.46 1vpm s GLU 103 Cb 0.00 -3.77 0.00 0.00 0.26 0.00 0.00 34.13 30.62 1vpm s GLU 103 CO 0.00 -0.73 -0.19 0.50 -0.54 0.00 0.00 175.26 174.30 1vpm s ARG 104 N 3.24 2.38 0.00 4.30 3.52 -1.26 -0.34 118.95 130.78 1vpm s ARG 104 Ca 0.69 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 1vpm s ARG 104 Cb -0.33 -1.89 -0.01 0.00 -1.56 0.00 0.00 34.95 31.17 1vpm s ARG 104 CO 0.27 0.16 -0.05 0.95 -0.81 0.00 0.00 175.30 175.83 1vpm s THR 105 N 0.35 0.38 0.05 4.11 -4.23 -0.09 -4.98 115.64 111.22 1vpm s THR 105 Ca -0.14 -0.34 -0.31 0.00 -1.18 0.00 0.00 61.69 59.73 1vpm s THR 105 Cb -0.16 -0.35 -0.07 0.00 1.34 0.00 0.00 72.50 73.26 1vpm s THR 105 CO 0.06 0.02 1.49 -0.22 -0.54 0.00 0.00 174.62 175.43 1vpm s LEU 106 N -0.35 4.34 -0.21 4.79 2.96 -1.26 -0.99 118.68 127.97 1vpm s LEU 106 Ca -0.00 2.30 -0.17 0.00 -0.22 0.00 0.00 54.13 56.04 1vpm s LEU 106 Cb -0.03 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 42.97 1vpm s LEU 106 CO -0.00 -0.77 -0.08 0.41 -1.32 0.00 0.00 176.35 174.59 1vpm n THR 107 N 4.53 1.51 -3.78 3.68 -1.04 0.25 -3.95 114.28 115.48 1vpm n THR 107 Ca 0.14 -0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.04 1vpm n THR 107 Cb 0.42 -2.10 -0.02 0.00 -1.82 0.00 0.00 70.33 66.81 1vpm n THR 107 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1vpm s THR 108 N -2.44 0.00 -0.02 12.58 -1.32 -1.02 -0.21 115.64 123.22 1vpm s THR 108 Ca -0.29 -0.75 -0.03 0.00 -1.21 0.00 0.00 61.69 59.42 1vpm s THR 108 Cb 0.07 -1.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.12 1vpm s THR 108 CO 0.47 0.00 0.07 -1.83 -2.21 0.00 0.00 174.62 171.12 1vpm s GLU 109 N -3.51 0.19 0.33 7.08 -1.05 -1.26 -0.92 118.70 119.56 1vpm s GLU 109 Ca 0.11 -0.10 -0.19 0.00 -0.15 0.00 0.00 54.97 54.65 1vpm s GLU 109 Cb -0.03 0.08 0.04 0.00 -0.44 0.00 0.00 34.13 33.78 1vpm s GLU 109 CO 0.03 -0.03 0.76 0.45 0.95 0.00 0.00 175.26 177.42 1vpm s SER 110 N -0.46 -0.13 -0.00 0.83 0.15 -0.36 -4.69 113.70 109.05 1vpm s SER 110 Ca -0.05 -0.87 0.07 0.00 0.70 0.00 0.00 55.95 55.80 1vpm s SER 110 Cb -0.03 0.78 -0.02 0.00 -1.71 0.00 0.00 66.02 65.04 1vpm s SER 110 CO 0.00 -1.50 -0.22 -0.36 1.20 0.00 0.00 173.24 172.36 1vpm s PHE 111 N -3.10 1.97 0.18 3.44 0.08 -1.26 -1.15 117.98 118.15 1vpm s PHE 111 Ca 0.13 -0.38 0.10 0.00 0.12 0.00 0.00 56.93 56.90 1vpm s PHE 111 Cb -0.05 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1vpm s PHE 111 CO 0.09 -0.00 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.50 1vpm s LEU 112 N -0.67 2.45 0.38 -0.37 1.02 0.10 -0.77 118.68 120.81 1vpm s LEU 112 Ca 0.09 -0.88 0.08 0.00 0.02 0.00 0.00 54.13 53.44 1vpm s LEU 112 Cb -0.09 -0.95 -0.04 0.00 0.02 0.00 0.00 46.19 45.13 1vpm s LEU 112 CO -0.00 0.02 0.17 -0.89 0.02 0.00 0.00 176.35 175.67 1vpm s THR 113 N -1.97 2.66 -0.29 5.49 2.01 -0.50 -0.97 115.64 122.06 1vpm s THR 113 Ca 0.18 -1.68 -0.15 0.00 0.31 0.00 0.00 61.69 60.35 1vpm s THR 113 Cb -0.06 -2.97 0.14 0.00 0.01 0.00 0.00 72.50 69.61 1vpm s THR 113 CO 0.08 -0.09 0.88 -0.69 -0.69 0.00 0.00 174.62 174.11 1vpm s VAL 115 N -2.51 -0.29 0.23 3.82 1.01 -0.05 -0.92 120.40 121.69 1vpm s VAL 115 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 1vpm s VAL 115 Cb 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 1vpm s VAL 115 CO 0.23 0.00 1.19 0.00 0.00 0.00 0.00 175.10 176.52 1vpm s ALA 116 N 1.93 3.44 0.05 5.51 0.00 -0.63 -1.12 121.76 130.94 1vpm s ALA 116 Ca -0.07 0.99 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1vpm s ALA 116 Cb -0.06 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1vpm s ALA 116 CO -0.17 -0.36 -0.15 0.14 0.00 0.00 0.00 175.76 175.22 1vpm s VAL 117 N -0.46 1.16 0.58 0.00 -7.23 -0.09 -0.65 120.40 113.72 1vpm s VAL 117 Ca 0.50 -1.09 -0.10 0.00 -1.81 0.00 0.00 61.98 59.49 1vpm s VAL 117 Cb -0.34 -1.06 0.14 0.00 0.56 0.00 0.00 36.38 35.68 1vpm s VAL 117 CO 0.40 -0.03 0.75 -0.90 -0.31 0.00 0.00 175.10 175.01 1vpm n ASP 118 N 1.75 -0.18 0.24 4.85 5.68 0.51 -3.89 116.55 125.51 1vpm n ASP 118 Ca -0.19 -1.22 0.08 0.00 -0.50 0.00 0.00 54.79 52.96 1vpm n ASP 118 Cb 0.54 -0.59 0.60 0.00 -1.14 0.00 0.00 41.12 40.54 1vpm n ASP 118 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1vpm h GLU 119 N 0.00 0.00 -0.17 0.11 -0.00 -1.99 0.70 114.58 113.23 1vpm h GLU 119 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.11 1vpm h GLU 119 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.44 1vpm h GLU 119 CO 0.17 0.14 0.00 -1.13 -0.00 0.00 0.00 179.01 178.20 1vpm n SER 120 N -4.11 1.59 0.00 3.06 3.41 -1.26 -4.93 113.62 111.37 1vpm n SER 120 Ca -0.02 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1vpm n SER 120 Cb 0.22 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1vpm n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vpm n GLY 121 N 1.10 0.62 3.77 5.00 0.00 0.24 -5.04 105.19 110.88 1vpm n GLY 121 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1vpm n GLY 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vpm s LYS 122 N -0.19 4.54 0.37 1.61 2.20 -1.26 -4.72 119.74 122.29 1vpm s LYS 122 Ca 0.00 1.13 -0.26 0.00 -0.36 0.00 0.00 55.97 56.47 1vpm s LYS 122 Cb 0.00 -3.30 -0.12 0.00 -1.51 0.00 0.00 37.83 32.90 1vpm s LYS 122 CO 0.00 0.47 1.09 -2.30 -0.36 0.00 0.00 175.35 174.24 1vpm n PRO 123 N 2.04 1.57 -4.64 4.03 -0.02 -1.26 -0.36 135.00 136.35 1vpm n PRO 123 Ca -0.04 0.55 -0.24 0.00 -2.02 0.00 0.00 63.50 61.75 1vpm n PRO 123 Cb 0.49 -2.07 -0.16 0.00 -0.02 0.00 0.00 33.50 31.74 1vpm n PRO 123 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1vpm s LYS 124 N -1.86 1.48 0.47 -0.52 2.20 0.17 -4.74 119.74 116.93 1vpm s LYS 124 Ca 0.60 -0.47 -0.24 0.00 -0.36 0.00 0.00 55.97 55.50 1vpm s LYS 124 Cb -0.60 -1.30 -0.08 0.00 -1.51 0.00 0.00 37.83 34.34 1vpm s LYS 124 CO 0.59 0.16 1.31 -2.30 -0.36 0.00 0.00 175.35 174.76 1vpm n PRO 125 N 3.30 1.90 -4.40 4.03 -0.02 -1.26 -4.38 135.00 134.16 1vpm n PRO 125 Ca -0.19 0.68 -0.28 0.00 -2.02 0.00 0.00 63.50 61.69 1vpm n PRO 125 Cb 0.53 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.41 1vpm n PRO 125 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1vpm s VAL 126 N -1.24 2.28 0.78 -1.45 -7.23 -0.55 -4.95 120.40 108.05 1vpm s VAL 126 Ca 0.64 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.83 1vpm s VAL 126 Cb -0.47 -2.04 0.07 0.00 0.56 0.00 0.00 36.38 34.50 1vpm s VAL 126 CO 0.55 -0.00 1.12 -2.16 -0.31 0.00 0.00 175.10 174.30 1vpm s PRO 127 N -2.32 2.02 0.79 4.82 0.04 -1.26 -4.88 135.00 134.21 1vpm s PRO 127 Ca 0.17 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1vpm s PRO 127 Cb -0.09 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.66 1vpm s PRO 127 CO 0.08 -1.85 1.10 -0.65 0.04 0.00 0.00 177.00 175.71 1vpm s GLN 128 N -4.57 2.15 -0.01 4.56 -0.21 0.52 -4.90 119.66 117.20 1vpm s GLN 128 Ca 0.65 0.61 0.04 0.00 0.02 0.00 0.00 55.36 56.68 1vpm s GLN 128 Cb -0.21 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1vpm s GLN 128 CO 0.52 -1.57 -0.12 0.54 -2.12 0.00 0.00 175.29 172.55 1vpm s VAL 129 N -3.19 3.28 -0.37 1.09 0.11 -1.26 -1.36 120.40 118.70 1vpm s VAL 129 Ca 0.61 -0.81 -0.04 0.00 -2.93 0.00 0.00 61.98 58.81 1vpm s VAL 129 Cb -0.14 -2.36 0.08 0.00 -1.53 0.00 0.00 36.38 32.43 1vpm s VAL 129 CO 0.54 0.47 0.15 -0.70 -3.33 0.00 0.00 175.10 172.22 1vpm s GLU 130 N -1.13 2.24 0.35 1.54 2.12 0.71 -4.86 118.70 119.67 1vpm s GLU 130 Ca 0.14 -1.57 -0.27 0.00 0.36 0.00 0.00 54.97 53.63 1vpm s GLU 130 Cb -0.11 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.70 1vpm s GLU 130 CO 0.04 -0.90 1.13 -1.25 -0.54 0.00 0.00 175.26 173.74 1vpm s PRO 131 N 1.23 4.30 0.01 4.30 0.04 -1.26 -3.08 135.00 140.55 1vpm s PRO 131 Ca 0.03 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1vpm s PRO 131 Cb -0.22 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1vpm s PRO 131 CO -0.02 -0.08 0.00 1.04 0.04 0.00 0.00 177.00 177.98 1vpm n GLN 132 N 0.48 0.00 -1.04 4.56 6.02 -1.26 -4.82 117.38 121.32 1vpm n GLN 132 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.71 1vpm n GLN 132 Cb 0.46 -0.47 0.24 0.00 1.02 0.00 0.00 30.24 31.49 1vpm n GLN 132 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1vpm s THR 133 N -2.00 1.63 0.17 5.09 -4.23 -1.26 -4.81 115.64 110.23 1vpm s THR 133 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1vpm s THR 133 Cb 0.00 -2.45 -0.14 0.00 1.34 0.00 0.00 72.50 71.25 1vpm s THR 133 CO 0.00 0.00 1.39 1.05 -0.54 0.00 0.00 174.62 176.52 1vpm h GLU 134 N -2.56 0.27 -0.21 3.99 9.09 -1.98 -0.35 114.58 122.82 1vpm h GLU 134 Ca -0.46 -0.27 -0.05 0.00 0.05 0.00 0.00 59.36 58.62 1vpm h GLU 134 Cb 1.30 0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.47 1vpm h GLU 134 CO 0.37 0.96 -0.08 1.05 0.05 0.00 0.00 179.01 181.37 1vpm h GLU 135 N 0.16 0.43 -0.24 1.06 4.11 -1.99 -1.44 114.58 116.67 1vpm h GLU 135 Ca -0.04 -0.18 0.02 0.00 0.07 0.00 0.00 59.36 59.23 1vpm h GLU 135 Cb 1.44 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 1vpm h GLU 135 CO 0.13 0.69 0.08 0.93 0.07 0.00 0.00 179.01 180.92 1vpm h GLU 136 N 0.14 0.19 -0.73 1.06 5.08 -1.92 -0.69 114.58 117.72 1vpm h GLU 136 Ca 0.05 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1vpm h GLU 136 Cb 0.55 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1vpm h GLU 136 CO 0.03 0.13 0.47 0.87 -1.00 0.00 0.00 179.01 179.51 1vpm h LYS 137 N 0.20 0.93 -0.54 2.33 1.57 -1.00 -0.78 116.57 119.28 1vpm h LYS 137 Ca 0.11 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1vpm h LYS 137 Cb 0.07 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1vpm h LYS 137 CO -0.11 0.61 0.12 -0.09 -0.57 0.00 0.00 179.45 179.42 1vpm h ARG 138 N 0.95 0.87 -0.59 3.15 9.65 -0.93 -0.70 114.38 126.78 1vpm h ARG 138 Ca 0.27 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 58.88 1vpm h ARG 138 Cb -0.07 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.37 1vpm h ARG 138 CO -0.07 0.82 0.11 -0.07 2.80 0.00 0.00 179.97 183.56 1vpm h LEU 139 N 0.76 0.89 -0.24 3.80 3.38 -0.98 -1.90 115.31 121.03 1vpm h LEU 139 Ca 0.17 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1vpm h LEU 139 Cb 0.35 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1vpm h LEU 139 CO 0.00 0.89 -0.08 0.22 0.09 0.00 0.00 178.44 179.57 1vpm h TYR 140 N 0.90 0.55 -0.34 1.13 5.03 -0.88 -1.98 116.97 121.38 1vpm h TYR 140 Ca 0.19 -0.12 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 1vpm h TYR 140 Cb 0.37 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.50 1vpm h TYR 140 CO 0.02 0.72 0.14 0.93 -1.32 0.00 0.00 178.16 178.65 1vpm h GLU 141 N 0.22 0.47 -0.00 1.82 4.39 -1.06 -2.83 114.58 117.57 1vpm h GLU 141 Ca 0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1vpm h GLU 141 Cb 0.55 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1vpm h GLU 141 CO 0.03 0.39 -0.39 0.25 -1.16 0.00 0.00 179.01 178.13 1vpm n THR 142 N -4.41 0.00 -0.17 1.13 -2.24 -0.72 -4.34 114.28 103.54 1vpm n THR 142 Ca 0.02 -0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 1vpm n THR 142 Cb 0.13 0.37 0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1vpm n THR 142 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vpm h ALA 143 N 3.38 0.63 -0.96 6.98 0.00 -1.09 -2.92 119.26 125.27 1vpm h ALA 143 Ca 0.00 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.89 1vpm h ALA 143 Cb 0.51 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 1vpm h ALA 143 CO 0.00 0.31 0.61 -1.35 0.00 0.00 0.00 179.25 178.81 1vpm h PRO 144 N 0.65 0.70 -0.38 0.00 0.11 -1.76 -0.34 132.00 130.98 1vpm h PRO 144 Ca 0.15 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 1vpm h PRO 144 Cb 0.30 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1vpm h PRO 144 CO -0.00 0.47 -0.02 0.00 -0.21 0.00 0.00 178.00 178.24 1vpm h ALA 145 N 1.61 0.52 -0.59 -0.75 0.00 -1.82 -1.39 119.26 116.83 1vpm h ALA 145 Ca 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1vpm h ALA 145 Cb 0.84 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1vpm h ALA 145 CO -0.28 0.31 0.28 0.00 0.00 0.00 0.00 179.25 179.55 1vpm h ARG 146 N 0.50 0.83 -0.44 0.00 3.08 -1.19 -2.34 114.38 114.82 1vpm h ARG 146 Ca 0.11 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1vpm h ARG 146 Cb 0.49 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1vpm h ARG 146 CO 0.02 0.65 0.01 -0.22 -1.07 0.00 0.00 179.97 179.36 1vpm h LYS 147 N 0.83 0.71 -0.51 0.04 3.64 -0.53 -2.21 116.57 118.54 1vpm h LYS 147 Ca 0.20 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1vpm h LYS 147 Cb 0.10 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1vpm h LYS 147 CO -0.03 0.72 -0.00 0.93 -2.27 0.00 0.00 179.45 178.80 1vpm h GLU 148 N 0.67 0.86 -0.25 1.90 5.08 -0.76 -1.57 114.58 120.52 1vpm h GLU 148 Ca 0.14 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1vpm h GLU 148 Cb 0.40 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1vpm h GLU 148 CO 0.01 0.86 -0.36 -0.91 -1.00 0.00 0.00 179.01 177.61 1vpm h ASN 149 N 0.80 0.58 -0.52 1.42 2.35 -1.22 -0.73 115.58 118.26 1vpm h ASN 149 Ca 0.15 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1vpm h ASN 149 Cb 0.48 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1vpm h ASN 149 CO 0.02 0.89 0.18 0.03 -1.65 0.00 0.00 177.43 176.91 1vpm h ARG 150 N 0.47 0.80 -0.43 0.81 3.08 -1.08 -1.09 114.38 116.94 1vpm h ARG 150 Ca 0.05 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1vpm h ARG 150 Cb 0.85 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1vpm h ARG 150 CO 0.07 0.73 0.26 0.87 -1.07 0.00 0.00 179.97 180.82 1vpm h LYS 151 N 0.71 0.50 -0.22 0.04 1.57 -0.97 -3.03 116.57 115.17 1vpm h LYS 151 Ca 0.17 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1vpm h LYS 151 Cb 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1vpm h LYS 151 CO -0.01 0.33 0.12 1.57 -0.57 0.00 0.00 179.45 180.90 1vpm h LYS 152 N 0.52 0.31 -0.01 3.15 -0.00 -0.99 -3.51 116.57 116.03 1vpm h LYS 152 Ca 0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.78 1vpm h LYS 152 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 32.23 32.17 1vpm h LYS 152 CO -0.07 0.28 0.00 2.89 -0.00 0.00 0.00 179.45 182.54