#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p7p s ILE 2 N 0.00 4.29 0.50 2.02 1.01 -1.26 -4.90 121.20 122.86 2p7p s ILE 2 Ca 0.00 0.94 0.20 0.00 0.00 0.00 0.00 60.65 61.78 2p7p s ILE 2 Cb 0.00 -4.56 0.35 0.00 0.01 0.00 0.00 42.46 38.26 2p7p s ILE 2 CO 0.00 -1.01 2.02 0.28 0.00 0.00 0.00 174.94 176.23 2p7p h SER 3 N 9.23 0.12 -0.54 3.58 0.02 -2.11 -3.47 113.55 120.37 2p7p h SER 3 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2p7p h SER 3 Cb 1.07 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2p7p h SER 3 CO 1.10 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.47 2p7p n GLY 4 N -1.58 -0.34 3.74 -3.77 0.00 -1.26 -5.11 105.19 96.87 2p7p n GLY 4 Ca 0.07 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 2p7p n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2p7p s LEU 5 N 0.00 4.51 -0.16 0.99 2.96 -1.26 -4.98 118.68 120.74 2p7p s LEU 5 Ca 0.00 2.00 -0.12 0.00 -0.22 0.00 0.00 54.13 55.79 2p7p s LEU 5 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2p7p s LEU 5 CO 0.00 -0.15 -0.23 -0.24 -1.32 0.00 0.00 176.35 174.42 2p7p n SER 6 N 2.40 1.85 -3.41 3.68 2.88 -1.26 -5.02 113.62 114.75 2p7p n SER 6 Ca 0.02 0.53 -0.03 0.00 -1.33 0.00 0.00 58.87 58.06 2p7p n SER 6 Cb 0.47 -0.83 0.01 0.00 -0.75 0.00 0.00 64.21 63.11 2p7p n SER 6 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2p7p s HIS 7 N -2.46 0.04 -0.04 0.66 -3.43 -1.26 -4.47 115.29 104.33 2p7p s HIS 7 Ca -0.20 -0.43 -0.00 0.00 -0.80 0.00 0.00 55.06 53.62 2p7p s HIS 7 Cb 0.03 0.69 0.03 0.00 -1.43 0.00 0.00 32.58 31.90 2p7p s HIS 7 CO 0.30 -0.92 0.01 0.42 -2.00 0.00 0.00 174.74 172.55 2p7p s ILE 8 N -2.33 0.18 -0.14 -5.38 1.01 -0.94 -5.03 121.20 108.57 2p7p s ILE 8 Ca 0.20 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 2p7p s ILE 8 Cb -0.02 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 2p7p s ILE 8 CO 0.05 0.18 -0.10 -0.89 0.00 0.00 0.00 174.94 174.18 2p7p s THR 9 N 1.47 3.30 0.02 2.92 2.01 -1.26 -0.29 115.64 123.81 2p7p s THR 9 Ca -0.03 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.48 2p7p s THR 9 Cb -0.13 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 2p7p s THR 9 CO -0.03 0.51 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.41 2p7p s LEU 10 N 0.39 2.20 -0.16 4.42 1.43 -0.28 -4.98 118.68 121.70 2p7p s LEU 10 Ca -0.08 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 2p7p s LEU 10 Cb -0.15 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2p7p s LEU 10 CO 0.05 0.28 0.12 -0.63 0.23 0.00 0.00 176.35 176.40 2p7p s ILE 11 N -0.75 5.35 0.03 -0.59 -1.09 -1.26 -0.95 121.20 121.94 2p7p s ILE 11 Ca 0.11 0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.68 2p7p s ILE 11 Cb -0.10 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 2p7p s ILE 11 CO 0.01 0.52 0.00 0.68 -1.23 0.00 0.00 174.94 174.93 2p7p s VAL 12 N -0.25 0.15 0.06 2.92 -7.23 0.15 -4.72 120.40 111.48 2p7p s VAL 12 Ca 0.11 -1.25 -0.16 0.00 -1.81 0.00 0.00 61.98 58.86 2p7p s VAL 12 Cb -0.12 -0.84 -0.19 0.00 0.56 0.00 0.00 36.38 35.80 2p7p s VAL 12 CO 0.01 -0.69 1.22 0.50 -0.31 0.00 0.00 175.10 175.83 2p7p h LYS 13 N 3.91 0.61 -4.60 4.82 1.63 -1.83 0.48 116.57 121.59 2p7p h LYS 13 Ca -0.33 -0.55 -0.65 0.00 -0.85 0.00 0.00 60.65 58.27 2p7p h LYS 13 Cb 1.18 0.13 -0.39 0.00 -0.60 0.00 0.00 32.23 32.55 2p7p h LYS 13 CO 0.52 1.17 -0.76 0.34 -3.45 0.00 0.00 179.45 177.27 2p7p s ASP 14 N -6.92 4.47 0.16 4.20 -1.08 -1.26 -4.61 116.67 111.63 2p7p s ASP 14 Ca -0.12 -1.73 -0.15 0.00 -0.52 0.00 0.00 52.55 50.04 2p7p s ASP 14 Cb 0.06 -1.47 0.05 0.00 -1.46 0.00 0.00 42.92 40.10 2p7p s ASP 14 CO 0.86 -0.30 1.80 0.25 0.52 0.00 0.00 175.17 178.30 2p7p h LEU 15 N 7.75 0.59 -0.35 -1.34 5.85 -1.94 -2.22 115.31 123.65 2p7p h LEU 15 Ca -0.12 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2p7p h LEU 15 Cb 1.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2p7p h LEU 15 CO 0.48 0.47 0.17 0.78 -0.34 0.00 0.00 178.44 180.00 2p7p h ASN 16 N 0.67 0.25 -0.29 1.25 2.35 -2.00 -0.92 115.58 116.89 2p7p h ASN 16 Ca 0.18 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2p7p h ASN 16 Cb -0.02 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2p7p h ASN 16 CO -0.03 0.18 0.09 0.11 -1.65 0.00 0.00 177.43 176.12 2p7p h LYS 17 N 0.35 0.45 -0.83 0.81 1.57 -1.97 -2.80 116.57 114.15 2p7p h LYS 17 Ca 0.15 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2p7p h LYS 17 Cb 0.07 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2p7p h LYS 17 CO -0.11 0.51 0.45 1.15 -0.57 0.00 0.00 179.45 180.89 2p7p h THR 18 N 0.31 1.24 -0.44 -0.16 2.02 -1.26 -2.28 112.91 112.34 2p7p h THR 18 Ca 0.09 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.70 2p7p h THR 18 Cb 0.25 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 2p7p h THR 18 CO -0.00 0.28 0.19 0.74 0.37 0.00 0.00 175.52 177.09 2p7p h THR 19 N 1.17 0.91 -0.47 3.16 2.02 -1.01 0.19 112.91 118.88 2p7p h THR 19 Ca 0.29 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 2p7p h THR 19 Cb 0.03 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2p7p h THR 19 CO -0.05 0.07 0.10 0.00 0.37 0.00 0.00 175.52 176.01 2p7p h ALA 20 N 1.26 1.30 0.36 6.16 0.00 -1.23 0.68 119.26 127.77 2p7p h ALA 20 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2p7p h ALA 20 Cb 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2p7p h ALA 20 CO -0.17 0.49 -0.17 0.35 0.00 0.00 0.00 179.25 179.75 2p7p h PHE 21 N 0.69 -0.44 -0.28 0.00 3.57 -0.64 0.33 116.94 120.17 2p7p h PHE 21 Ca 0.15 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2p7p h PHE 21 Cb 0.28 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2p7p h PHE 21 CO 0.01 -0.23 0.01 -0.07 -2.23 0.00 0.00 178.31 175.81 2p7p h LEU 22 N -0.55 0.39 -0.06 0.59 3.38 -0.27 -1.47 115.31 117.33 2p7p h LEU 22 Ca -0.05 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2p7p h LEU 22 Cb 0.41 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2p7p h LEU 22 CO 0.08 0.45 -0.38 1.56 0.09 0.00 0.00 178.44 180.24 2p7p h GLN 23 N 0.41 0.36 -0.19 1.13 4.20 -0.61 -1.10 115.11 119.31 2p7p h GLN 23 Ca 0.09 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 2p7p h GLN 23 Cb 0.25 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2p7p h GLN 23 CO 0.01 0.96 0.03 -0.91 -0.67 0.00 0.00 178.83 178.24 2p7p h ASN 24 N -0.15 0.30 0.00 1.46 2.35 -0.17 -2.14 115.58 117.23 2p7p h ASN 24 Ca -0.03 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 2p7p h ASN 24 Cb 1.05 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 2p7p h ASN 24 CO 0.08 0.49 -0.44 0.40 -1.65 0.00 0.00 177.43 176.31 2p7p h ILE 25 N 0.10 1.05 -0.09 2.81 2.04 -1.39 -3.39 117.51 118.62 2p7p h ILE 25 Ca 0.06 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2p7p h ILE 25 Cb 0.32 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2p7p h ILE 25 CO 0.00 0.35 0.00 0.49 0.00 0.00 0.00 178.15 179.00 2p7p n PHE 26 N -4.58 0.10 -2.82 1.37 3.01 -0.56 -4.93 117.46 109.06 2p7p n PHE 26 Ca -0.15 -0.05 -0.21 0.00 1.01 0.00 0.00 57.45 58.06 2p7p n PHE 26 Cb 0.44 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.92 2p7p n PHE 26 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2p7p n ASN 27 N 0.87 -5.39 -4.58 4.37 3.02 -0.80 -4.82 115.26 107.93 2p7p n ASN 27 Ca 0.17 -0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 2p7p n ASN 27 Cb 0.49 -4.43 0.03 0.00 -0.61 0.00 0.00 39.78 35.26 2p7p n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p7p n ALA 28 N -2.93 -0.10 -3.97 5.41 0.00 -0.53 -4.92 120.51 113.46 2p7p n ALA 28 Ca -0.14 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 2p7p n ALA 28 Cb 0.63 -2.04 -0.14 0.00 0.00 0.00 0.00 19.45 17.90 2p7p n ALA 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2p7p s GLU 29 N -2.23 1.74 0.24 0.00 2.12 -0.47 -4.61 118.70 115.49 2p7p s GLU 29 Ca 0.68 -2.19 -0.31 0.00 0.36 0.00 0.00 54.97 53.50 2p7p s GLU 29 Cb -0.50 -3.29 -0.13 0.00 0.26 0.00 0.00 34.13 30.47 2p7p s GLU 29 CO 0.53 -1.02 1.47 -1.91 -0.54 0.00 0.00 175.26 173.80 2p7p n GLU 30 N 3.79 2.19 0.00 4.30 2.13 -1.26 -1.96 120.64 129.83 2p7p n GLU 30 Ca 0.04 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.64 2p7p n GLU 30 Cb 0.38 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.61 2p7p n GLU 30 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2p7p n ILE 31 N 2.21 0.00 -3.55 6.31 -5.35 0.08 -4.94 119.36 114.11 2p7p n ILE 31 Ca 0.12 -0.23 -0.17 0.00 -0.27 0.00 0.00 62.75 62.20 2p7p n ILE 31 Cb 0.32 1.13 -0.06 0.00 -1.74 0.00 0.00 39.64 39.29 2p7p n ILE 31 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2p7p s TYR 32 N -0.34 -0.59 -0.24 4.28 5.04 -1.16 -4.95 117.35 119.39 2p7p s TYR 32 Ca 0.00 1.01 -0.16 0.00 -2.44 0.00 0.00 57.07 55.47 2p7p s TYR 32 Cb 0.00 0.37 0.07 0.00 0.35 0.00 0.00 41.96 42.74 2p7p s TYR 32 CO 0.00 -0.58 0.60 0.45 -1.34 0.00 0.00 175.55 174.68 2p7p s SER 33 N -1.21 -0.73 0.29 4.32 0.15 -1.26 -1.55 113.70 113.71 2p7p s SER 33 Ca -0.11 1.27 -0.09 0.00 0.70 0.00 0.00 55.95 57.71 2p7p s SER 33 Cb -0.01 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 2p7p s SER 33 CO 0.09 -0.22 0.49 -0.94 1.20 0.00 0.00 173.24 173.86 2p7p s SER 34 N 1.08 0.28 0.00 5.45 1.04 -0.21 -5.01 113.70 116.33 2p7p s SER 34 Ca -0.06 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2p7p s SER 34 Cb -0.05 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2p7p s SER 34 CO -0.10 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.50 2p7p n GLY 35 N -0.45 3.31 3.10 7.32 0.00 -1.25 -1.04 105.19 116.18 2p7p n GLY 35 Ca -0.01 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.16 2p7p n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2p7p s ASP 36 N 0.00 -0.95 0.32 1.61 2.15 0.82 -4.87 116.67 115.76 2p7p s ASP 36 Ca 0.00 -0.04 0.06 0.00 0.43 0.00 0.00 52.55 53.00 2p7p s ASP 36 Cb 0.00 1.49 0.72 0.00 -0.30 0.00 0.00 42.92 44.82 2p7p s ASP 36 CO 0.00 -0.16 1.84 0.07 -0.17 0.00 0.00 175.17 176.76 2p7p h LYS 37 N 7.20 0.79 0.00 4.34 2.10 -1.94 0.15 116.57 129.20 2p7p h LYS 37 Ca -0.04 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2p7p h LYS 37 Cb 1.19 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2p7p h LYS 37 CO 0.01 0.52 0.00 0.25 -2.00 0.00 0.00 179.45 178.23 2p7p n THR 38 N -4.61 0.85 -0.47 0.07 -2.24 -1.26 -1.69 114.28 104.92 2p7p n THR 38 Ca 0.19 0.20 0.05 0.00 -2.27 0.00 0.00 64.05 62.22 2p7p n THR 38 Cb 0.45 -0.96 0.11 0.00 -2.10 0.00 0.00 70.33 67.83 2p7p n THR 38 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2p7p n PHE 39 N -1.66 0.26 -3.74 4.78 7.35 0.41 -5.00 117.46 119.88 2p7p n PHE 39 Ca 0.04 -0.69 -0.23 0.00 -0.76 0.00 0.00 57.45 55.81 2p7p n PHE 39 Cb 0.21 -0.11 0.02 0.00 0.35 0.00 0.00 39.48 39.95 2p7p n PHE 39 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2p7p n SER 40 N -0.50 -1.75 -3.90 -2.13 7.64 -0.61 -4.97 113.62 107.40 2p7p n SER 40 Ca 0.10 -0.89 -0.28 0.00 1.01 0.00 0.00 58.87 58.81 2p7p n SER 40 Cb 0.49 -3.78 -0.16 0.00 -1.01 0.00 0.00 64.21 59.75 2p7p n SER 40 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2p7p s LEU 41 N -6.66 1.63 0.57 -3.43 1.43 -0.71 -5.00 118.68 106.51 2p7p s LEU 41 Ca 0.09 -0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 52.33 2p7p s LEU 41 Cb -0.03 -0.93 -0.06 0.00 0.03 0.00 0.00 46.19 45.21 2p7p s LEU 41 CO 0.83 -0.18 1.03 -1.20 0.23 0.00 0.00 176.35 177.06 2p7p n SER 42 N 4.87 1.12 -4.85 2.29 7.64 -1.26 -0.13 113.62 123.29 2p7p n SER 42 Ca -0.12 0.86 -0.33 0.00 1.01 0.00 0.00 58.87 60.30 2p7p n SER 42 Cb 0.48 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 62.21 2p7p n SER 42 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2p7p s LYS 43 N -2.66 3.96 -0.08 1.43 1.02 -1.26 -3.96 119.74 118.19 2p7p s LYS 43 Ca 0.73 0.57 -0.30 0.00 0.02 0.00 0.00 55.97 56.99 2p7p s LYS 43 Cb -0.44 -2.53 0.09 0.00 -0.52 0.00 0.00 37.83 34.44 2p7p s LYS 43 CO 0.49 0.22 0.81 -1.83 -0.92 0.00 0.00 175.35 174.12 2p7p s GLU 44 N -2.85 0.88 0.12 1.68 -1.05 -0.20 -2.10 118.70 115.17 2p7p s GLU 44 Ca 0.51 0.17 0.04 0.00 -0.15 0.00 0.00 54.97 55.54 2p7p s GLU 44 Cb -0.11 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 2p7p s GLU 44 CO 0.19 -0.28 -0.10 0.15 0.95 0.00 0.00 175.26 176.16 2p7p s LYS 45 N -1.32 0.95 -0.08 -4.83 1.02 -0.23 -1.05 119.74 114.20 2p7p s LYS 45 Ca -0.06 -1.29 0.03 0.00 0.02 0.00 0.00 55.97 54.68 2p7p s LYS 45 Cb -0.00 -0.59 -0.01 0.00 -0.52 0.00 0.00 37.83 36.70 2p7p s LYS 45 CO 0.05 0.08 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.32 2p7p s PHE 46 N -2.80 2.62 0.26 3.18 2.99 -0.59 -0.70 117.98 122.94 2p7p s PHE 46 Ca 0.10 -0.62 0.08 0.00 0.00 0.00 0.00 56.93 56.49 2p7p s PHE 46 Cb -0.01 -1.69 -0.05 0.00 0.00 0.00 0.00 43.02 41.27 2p7p s PHE 46 CO 0.00 -0.15 -0.10 -0.06 -0.00 0.00 0.00 175.22 174.92 2p7p s PHE 47 N -0.08 1.94 -0.12 0.36 0.40 0.16 -0.74 117.98 119.90 2p7p s PHE 47 Ca -0.04 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.69 2p7p s PHE 47 Cb -0.14 -1.03 0.01 0.00 0.51 0.00 0.00 43.02 42.37 2p7p s PHE 47 CO 0.04 0.35 -0.21 -0.51 0.70 0.00 0.00 175.22 175.59 2p7p s LEU 48 N -3.42 2.04 -0.12 -0.37 1.43 -0.83 -0.95 118.68 116.45 2p7p s LEU 48 Ca 0.28 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2p7p s LEU 48 Cb 0.02 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.92 2p7p s LEU 48 CO 0.11 0.10 0.02 -0.63 0.23 0.00 0.00 176.35 176.18 2p7p s ILE 49 N 0.65 0.42 -1.44 -0.59 1.01 -0.83 -1.36 121.20 119.06 2p7p s ILE 49 Ca -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 2p7p s ILE 49 Cb -0.16 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2p7p s ILE 49 CO 0.02 0.07 0.29 0.00 0.00 0.00 0.00 174.94 175.32 2p7p n ALA 50 N 5.12 -2.07 -0.69 9.38 0.00 -1.26 -0.13 120.51 130.85 2p7p n ALA 50 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2p7p n ALA 50 Cb 0.49 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2p7p n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p7p n GLY 51 N -2.21 1.11 3.84 0.00 0.00 -1.26 -5.01 105.19 101.65 2p7p n GLY 51 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 2p7p n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p7p s LEU 52 N 0.00 4.36 -0.58 0.99 1.43 0.81 -5.04 118.68 120.64 2p7p s LEU 52 Ca 0.00 0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 2p7p s LEU 52 Cb 0.00 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 44.10 2p7p s LEU 52 CO 0.00 0.34 1.09 0.86 0.23 0.00 0.00 176.35 178.87 2p7p s TRP 53 N -0.69 2.65 -0.21 0.29 -0.00 -1.26 -1.96 118.94 117.76 2p7p s TRP 53 Ca 0.15 0.17 -0.04 0.00 -0.00 0.00 0.00 56.10 56.38 2p7p s TRP 53 Cb -0.12 -4.34 -0.01 0.00 -0.00 0.00 0.00 33.47 28.99 2p7p s TRP 53 CO 0.04 -1.54 -0.03 0.42 -0.00 0.00 0.00 176.95 175.84 2p7p s ILE 54 N 4.60 3.56 -0.10 5.86 -1.09 -0.13 -2.22 121.20 131.68 2p7p s ILE 54 Ca 0.37 -0.44 -0.03 0.00 -2.23 0.00 0.00 60.65 58.32 2p7p s ILE 54 Cb -0.10 -2.61 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 2p7p s ILE 54 CO 0.22 0.42 0.03 0.00 -1.23 0.00 0.00 174.94 174.38 2p7p s ILE 56 N -0.77 1.69 -0.02 0.00 -1.09 0.12 -1.13 121.20 120.01 2p7p s ILE 56 Ca 0.12 -0.77 0.07 0.00 -2.23 0.00 0.00 60.65 57.84 2p7p s ILE 56 Cb -0.12 -1.52 -0.02 0.00 -1.58 0.00 0.00 42.46 39.23 2p7p s ILE 56 CO 0.02 0.48 -0.22 -0.32 -1.23 0.00 0.00 174.94 173.68 2p7p s MET 57 N 0.85 1.81 -0.01 2.79 1.75 -0.13 -1.06 119.30 125.29 2p7p s MET 57 Ca -0.09 -0.78 -0.30 0.00 -1.25 0.00 0.00 55.69 53.27 2p7p s MET 57 Cb -0.15 -1.73 -0.03 0.00 2.84 0.00 0.00 34.83 35.76 2p7p s MET 57 CO -0.00 0.46 0.99 -2.00 -0.65 0.00 0.00 175.02 173.82 2p7p s GLU 58 N -0.48 4.54 0.00 4.11 2.12 -0.89 -0.67 118.70 127.43 2p7p s GLU 58 Ca 0.07 1.43 0.00 0.00 0.36 0.00 0.00 54.97 56.83 2p7p s GLU 58 Cb -0.09 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2p7p s GLU 58 CO -0.01 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2p7p n GLY 59 N 2.94 1.44 3.78 -1.50 0.00 0.17 -4.78 105.19 107.23 2p7p n GLY 59 Ca 0.06 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 2p7p n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p7p s ASP 60 N 2.00 7.36 0.51 1.61 -0.00 -1.26 -2.85 116.67 124.03 2p7p s ASP 60 Ca 0.00 1.62 -0.18 0.00 -0.00 0.00 0.00 52.55 54.00 2p7p s ASP 60 Cb 0.00 -2.49 -0.08 0.00 -0.00 0.00 0.00 42.92 40.35 2p7p s ASP 60 CO 0.00 0.19 1.00 -0.44 -0.00 0.00 0.00 175.17 175.92 2p7p s SER 61 N -1.19 6.48 0.15 0.27 0.01 -1.26 -4.57 113.70 113.58 2p7p s SER 61 Ca 0.36 1.69 -0.34 0.00 1.31 0.00 0.00 55.95 58.97 2p7p s SER 61 Cb -0.22 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.33 2p7p s SER 61 CO 0.26 -0.69 1.49 0.18 0.41 0.00 0.00 173.24 174.90 2p7p n LEU 62 N -1.40 2.68 0.06 2.44 4.77 -0.87 -4.83 117.00 119.85 2p7p n LEU 62 Ca 0.07 1.10 0.10 0.00 -0.03 0.00 0.00 56.01 57.26 2p7p n LEU 62 Cb 0.54 -1.36 0.43 0.00 -2.33 0.00 0.00 43.42 40.69 2p7p n LEU 62 CO 0.44 -0.52 0.82 0.00 -1.33 0.00 0.00 177.39 176.80 2p7p n GLN 63 N 3.05 0.10 -3.81 3.23 6.02 -1.26 -4.70 117.38 120.02 2p7p n GLN 63 Ca 0.17 0.28 -0.09 0.00 -0.01 0.00 0.00 57.00 57.34 2p7p n GLN 63 Cb 0.26 -1.67 -0.06 0.00 1.02 0.00 0.00 30.24 29.79 2p7p n GLN 63 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2p7p s GLU 64 N -3.13 1.05 -0.25 -1.09 0.41 -1.26 -5.15 118.70 109.27 2p7p s GLU 64 Ca 0.07 -0.94 -0.10 0.00 -0.41 0.00 0.00 54.97 53.60 2p7p s GLU 64 Cb 0.11 0.41 -0.05 0.00 -1.78 0.00 0.00 34.13 32.82 2p7p s GLU 64 CO 0.39 -0.38 0.15 1.03 -0.49 0.00 0.00 175.26 175.95 2p7p s ARG 65 N -3.88 3.95 0.46 1.61 0.52 -1.26 -4.95 118.95 115.40 2p7p s ARG 65 Ca 0.08 -0.33 0.05 0.00 -0.52 0.00 0.00 55.73 55.01 2p7p s ARG 65 Cb 0.03 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.92 2p7p s ARG 65 CO -0.07 -0.06 0.04 0.95 0.02 0.00 0.00 175.30 176.17 2p7p s THR 66 N 1.39 1.66 -2.02 0.02 -4.23 -1.26 -5.03 115.64 106.17 2p7p s THR 66 Ca 0.07 -1.95 0.11 0.00 -1.18 0.00 0.00 61.69 58.73 2p7p s THR 66 Cb -0.15 -2.62 0.30 0.00 1.34 0.00 0.00 72.50 71.38 2p7p s THR 66 CO 0.07 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 175.42 2p7p n TYR 67 N -1.15 0.42 -2.22 3.99 9.36 -1.26 -4.72 117.16 121.58 2p7p n TYR 67 Ca -0.10 -0.21 -0.41 0.00 3.32 0.00 0.00 57.90 60.50 2p7p n TYR 67 Cb 0.67 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.35 2p7p n TYR 67 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2p7p s ASN 68 N -1.05 6.91 0.22 2.98 0.01 -1.26 -4.99 114.94 117.76 2p7p s ASN 68 Ca 0.23 2.48 -0.22 0.00 -0.71 0.00 0.00 52.86 54.63 2p7p s ASN 68 Cb 0.12 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 39.20 2p7p s ASN 68 CO 0.16 -0.48 0.68 -1.38 -1.51 0.00 0.00 177.10 174.57 2p7p s HIS 69 N -0.44 -0.34 -0.08 2.20 -3.43 -1.26 -4.24 115.29 107.70 2p7p s HIS 69 Ca 0.53 -0.01 0.03 0.00 -0.80 0.00 0.00 55.06 54.80 2p7p s HIS 69 Cb -0.37 0.64 -0.02 0.00 -1.43 0.00 0.00 32.58 31.41 2p7p s HIS 69 CO 0.43 -1.06 -0.16 0.42 -2.00 0.00 0.00 174.74 172.37 2p7p s ILE 70 N -3.82 2.86 -0.06 -5.38 1.01 -1.17 -5.04 121.20 109.59 2p7p s ILE 70 Ca 0.07 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2p7p s ILE 70 Cb -0.04 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2p7p s ILE 70 CO -0.02 0.56 -0.18 0.00 0.00 0.00 0.00 174.94 175.31 2p7p s ALA 71 N -0.23 1.66 0.16 9.38 0.00 -1.26 -1.84 121.76 129.63 2p7p s ALA 71 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.29 2p7p s ALA 71 Cb -0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 2p7p s ALA 71 CO 0.03 0.26 0.13 -0.06 0.00 0.00 0.00 175.76 176.12 2p7p s PHE 72 N 0.21 3.15 -0.11 0.00 0.40 -0.50 -4.93 117.98 116.20 2p7p s PHE 72 Ca -0.09 -0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.08 2p7p s PHE 72 Cb -0.14 -1.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.83 2p7p s PHE 72 CO 0.04 0.52 0.34 -1.14 0.70 0.00 0.00 175.22 175.68 2p7p s GLN 73 N -3.08 4.11 0.09 0.44 0.74 -1.26 -0.28 119.66 120.41 2p7p s GLN 73 Ca 0.31 0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.95 2p7p s GLN 73 Cb -0.10 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 2p7p s GLN 73 CO 0.23 0.39 -0.04 0.96 -0.55 0.00 0.00 175.29 176.28 2p7p s ILE 74 N -0.05 0.52 0.51 -2.34 -4.36 -0.36 -4.91 121.20 110.20 2p7p s ILE 74 Ca 0.20 -1.90 -0.19 0.00 -0.26 0.00 0.00 60.65 58.50 2p7p s ILE 74 Cb -0.14 -1.68 -0.08 0.00 1.25 0.00 0.00 42.46 41.81 2p7p s ILE 74 CO 0.08 -0.87 1.03 -1.10 0.24 0.00 0.00 174.94 174.32 2p7p s GLN 75 N -3.88 3.74 0.37 0.37 -1.52 -1.26 -3.98 119.66 113.51 2p7p s GLN 75 Ca 0.12 1.27 0.27 0.00 -1.95 0.00 0.00 55.36 55.07 2p7p s GLN 75 Cb 0.06 -2.09 1.21 0.00 -0.22 0.00 0.00 33.01 31.97 2p7p s GLN 75 CO -0.05 -0.47 1.82 0.66 -0.25 0.00 0.00 175.29 177.00 2p7p h SER 76 N 1.30 0.00 0.87 5.90 4.64 -1.92 -2.09 113.55 122.24 2p7p h SER 76 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2p7p h SER 76 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2p7p h SER 76 CO 0.59 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.93 2p7p n GLU 77 N -2.52 0.03 -0.14 4.77 4.71 -1.26 -3.36 120.64 122.87 2p7p n GLU 77 Ca 0.01 0.05 0.05 0.00 -0.01 0.00 0.00 57.16 57.26 2p7p n GLU 77 Cb 0.21 -1.50 0.12 0.00 -1.01 0.00 0.00 31.44 29.27 2p7p n GLU 77 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2p7p n GLU 78 N -1.48 2.62 0.25 3.49 1.02 -0.79 -4.71 120.64 121.03 2p7p n GLU 78 Ca 0.07 -1.89 -0.16 0.00 -0.02 0.00 0.00 57.16 55.16 2p7p n GLU 78 Cb 0.30 -1.23 -0.08 0.00 -0.02 0.00 0.00 31.44 30.41 2p7p n GLU 78 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2p7p h VAL 79 N 1.79 0.36 -0.86 2.62 2.07 -1.65 0.86 116.25 121.44 2p7p h VAL 79 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2p7p h VAL 79 Cb 0.67 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 2p7p h VAL 79 CO 0.00 0.00 0.51 0.44 0.02 0.00 0.00 177.57 178.54 2p7p h ASP 80 N -0.71 0.74 0.65 0.57 3.32 -1.86 0.24 116.42 119.38 2p7p h ASP 80 Ca -0.04 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2p7p h ASP 80 Cb 0.61 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2p7p h ASP 80 CO -0.00 0.42 -0.51 -0.08 -1.72 0.00 0.00 179.24 177.35 2p7p h GLU 81 N 0.85 -1.08 0.00 3.56 4.81 -1.73 -1.68 114.58 119.31 2p7p h GLU 81 Ca 0.41 0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.68 2p7p h GLU 81 Cb 0.37 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2p7p h GLU 81 CO -0.24 -0.72 -0.17 1.88 -0.73 0.00 0.00 179.01 179.03 2p7p h TYR 82 N -1.12 0.00 -0.49 0.92 -1.99 -0.48 -1.64 116.97 112.18 2p7p h TYR 82 Ca -0.08 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.56 2p7p h TYR 82 Cb 0.93 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.64 2p7p h TYR 82 CO -0.19 0.17 -0.02 1.15 -0.00 0.00 0.00 178.16 179.27 2p7p h THR 83 N 0.00 1.26 -0.07 -2.88 2.02 -0.20 -2.15 112.91 110.90 2p7p h THR 83 Ca -0.00 -1.11 -0.23 0.00 0.77 0.00 0.00 66.41 65.84 2p7p h THR 83 Cb 0.40 1.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2p7p h THR 83 CO 0.02 0.39 -0.87 -0.08 0.37 0.00 0.00 175.52 175.35 2p7p h GLU 84 N 0.74 0.60 -0.67 6.66 4.57 -0.94 -2.01 114.58 123.52 2p7p h GLU 84 Ca 0.14 -0.55 0.01 0.00 -1.18 0.00 0.00 59.36 57.77 2p7p h GLU 84 Cb 0.54 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 2p7p h GLU 84 CO 0.03 1.17 0.44 0.00 -1.18 0.00 0.00 179.01 179.47 2p7p h ARG 85 N 0.38 0.85 0.05 1.92 3.08 -1.22 -2.22 114.38 117.22 2p7p h ARG 85 Ca -0.07 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.69 2p7p h ARG 85 Cb 1.49 -0.19 0.02 0.00 0.08 0.00 0.00 29.97 31.37 2p7p h ARG 85 CO 0.16 0.56 -0.96 0.82 -1.07 0.00 0.00 179.97 179.49 2p7p h ILE 86 N 0.88 1.34 -0.06 2.04 2.04 -1.35 -3.07 117.51 119.33 2p7p h ILE 86 Ca 0.25 -2.29 0.02 0.00 1.00 0.00 0.00 64.86 63.84 2p7p h ILE 86 Cb -0.06 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2p7p h ILE 86 CO -0.06 0.69 0.12 0.50 0.00 0.00 0.00 178.15 179.39 2p7p h LYS 87 N 0.14 0.00 0.00 2.37 3.64 -1.05 -0.42 116.57 121.24 2p7p h LYS 87 Ca -0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2p7p h LYS 87 Cb 1.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 2p7p h LYS 87 CO 0.19 0.00 -0.06 0.00 -2.27 0.00 0.00 179.45 177.31 2p7p n ALA 88 N -2.20 2.41 1.27 5.00 0.00 -0.86 -3.34 120.51 122.78 2p7p n ALA 88 Ca -0.01 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2p7p n ALA 88 Cb 0.20 -1.44 0.35 0.00 0.00 0.00 0.00 19.45 18.57 2p7p n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2p7p n LEU 89 N -1.85 1.47 0.00 0.00 4.77 -0.17 -4.93 117.00 116.30 2p7p n LEU 89 Ca 0.06 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 2p7p n LEU 89 Cb 0.38 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2p7p n LEU 89 CO 0.29 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2p7p n GLY 90 N 1.30 2.97 3.52 -0.72 0.00 -1.21 -4.98 105.19 106.06 2p7p n GLY 90 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2p7p n GLY 90 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2p7p n VAL 91 N -1.85 2.65 -2.88 1.61 0.24 -1.26 -4.90 118.33 111.94 2p7p n VAL 91 Ca 0.00 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 2p7p n VAL 91 Cb 0.00 -0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 31.47 2p7p n VAL 91 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2p7p s GLU 92 N -2.53 4.21 0.32 7.34 2.12 -1.26 -4.84 118.70 124.06 2p7p s GLU 92 Ca 0.71 0.97 0.01 0.00 0.36 0.00 0.00 54.97 57.02 2p7p s GLU 92 Cb -0.41 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.32 2p7p s GLU 92 CO 0.52 -0.48 0.51 -1.64 -0.54 0.00 0.00 175.26 173.64 2p7p s MET 93 N 2.69 3.48 -0.86 4.30 -1.94 -1.26 -2.54 119.30 123.17 2p7p s MET 93 Ca 0.36 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 53.93 2p7p s MET 93 Cb -0.16 -2.71 0.26 0.00 2.01 0.00 0.00 34.83 34.24 2p7p s MET 93 CO 0.08 0.21 1.00 0.36 -0.01 0.00 0.00 175.02 176.66 2p7p n LYS 94 N -1.70 3.20 -1.67 2.03 0.00 -0.89 -4.97 118.16 114.16 2p7p n LYS 94 Ca -0.06 -4.58 -0.43 0.00 -0.00 0.00 0.00 58.31 53.25 2p7p n LYS 94 Cb 0.56 -2.39 -0.03 0.00 -0.00 0.00 0.00 35.03 33.18 2p7p n LYS 94 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2p7p n PRO 95 N 1.42 2.79 0.00 -1.58 -0.02 -1.26 -4.78 135.00 131.58 2p7p n PRO 95 Ca 0.26 1.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.76 2p7p n PRO 95 Cb 0.37 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 2p7p n PRO 95 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2p7p n GLU 103 N 6.74 0.00 -3.70 -0.52 -0.00 -1.26 -5.15 120.64 116.75 2p7p n GLU 103 Ca 0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.22 2p7p n GLU 103 Cb 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 31.44 31.69 2p7p n GLU 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2p7p s GLY 104 N 0.00 -0.11 0.39 -1.84 0.00 -1.26 -4.96 107.32 99.54 2p7p s GLY 104 Ca 0.00 0.92 -0.25 0.00 0.00 0.00 0.00 44.72 45.39 2p7p s GLY 104 CO 0.00 1.51 1.13 -1.60 0.00 0.00 0.00 173.10 174.15 2p7p s ARG 105 N 1.73 4.13 0.05 2.90 3.00 -1.24 -4.82 118.95 124.70 2p7p s ARG 105 Ca -0.05 1.76 0.03 0.00 -1.00 0.00 0.00 55.73 56.47 2p7p s ARG 105 Cb -0.11 -2.69 -0.03 0.00 0.00 0.00 0.00 34.95 32.13 2p7p s ARG 105 CO -0.08 -0.23 -0.11 -1.12 0.00 0.00 0.00 175.30 173.76 2p7p s SER 106 N -1.22 1.22 -0.15 -2.12 0.01 -1.26 -1.74 113.70 108.44 2p7p s SER 106 Ca 0.56 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.27 2p7p s SER 106 Cb -0.29 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2p7p s SER 106 CO 0.36 -0.14 -0.18 -0.63 0.41 0.00 0.00 173.24 173.07 2p7p s ILE 107 N -1.29 2.47 -0.08 1.44 1.01 -0.06 -4.95 121.20 119.73 2p7p s ILE 107 Ca -0.06 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2p7p s ILE 107 Cb -0.10 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 2p7p s ILE 107 CO 0.01 0.53 -0.10 -0.31 0.00 0.00 0.00 174.94 175.07 2p7p s TYR 108 N 0.76 2.86 -0.03 3.97 1.51 -1.26 -0.48 117.35 124.67 2p7p s TYR 108 Ca -0.07 -0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 55.54 2p7p s TYR 108 Cb -0.16 -1.73 0.10 0.00 -0.11 0.00 0.00 41.96 40.06 2p7p s TYR 108 CO 0.00 0.17 0.82 -0.59 -1.11 0.00 0.00 175.55 174.85 2p7p s PHE 109 N -0.49 -0.46 0.30 2.71 -0.12 -0.62 -2.09 117.98 117.21 2p7p s PHE 109 Ca 0.07 0.58 0.06 0.00 -0.05 0.00 0.00 56.93 57.60 2p7p s PHE 109 Cb -0.12 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 2p7p s PHE 109 CO 0.02 -0.55 0.37 0.71 -0.05 0.00 0.00 175.22 175.72 2p7p s TYR 110 N -2.16 3.14 0.00 3.49 1.51 -1.05 -0.13 117.35 122.14 2p7p s TYR 110 Ca -0.02 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 2p7p s TYR 110 Cb -0.01 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 2p7p s TYR 110 CO -0.02 0.20 0.00 -0.40 -1.11 0.00 0.00 175.55 174.22 2p7p n ASP 111 N -1.47 0.00 -0.98 2.29 3.85 -1.09 -4.56 116.55 114.59 2p7p n ASP 111 Ca -0.03 -0.07 0.03 0.00 -0.71 0.00 0.00 54.79 54.01 2p7p n ASP 111 Cb 0.58 0.00 0.17 0.00 -1.35 0.00 0.00 41.12 40.52 2p7p n ASP 111 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2p7p n PHE 112 N -0.08 0.79 -1.46 2.11 3.01 -1.26 -3.83 117.46 116.74 2p7p n PHE 112 Ca 0.00 -0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.18 2p7p n PHE 112 Cb 0.00 -0.21 0.01 0.00 -0.01 0.00 0.00 39.48 39.26 2p7p n PHE 112 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2p7p n ASP 113 N 0.31 0.19 -0.96 4.37 8.00 -1.26 -4.86 116.55 122.34 2p7p n ASP 113 Ca 0.12 -1.64 -0.07 0.00 0.71 0.00 0.00 54.79 53.90 2p7p n ASP 113 Cb 0.57 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2p7p n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2p7p n ASN 114 N -0.09 -2.85 -4.54 -2.24 3.02 -1.25 -2.04 115.26 105.28 2p7p n ASN 114 Ca 0.01 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.11 2p7p n ASN 114 Cb 0.60 -2.03 -0.09 0.00 -0.61 0.00 0.00 39.78 37.64 2p7p n ASN 114 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2p7p s HIS 115 N -2.50 3.20 -0.22 3.10 3.76 -1.26 -4.71 115.29 116.67 2p7p s HIS 115 Ca 0.04 -0.07 -0.29 0.00 -0.15 0.00 0.00 55.06 54.58 2p7p s HIS 115 Cb -0.02 -2.70 0.00 0.00 1.11 0.00 0.00 32.58 30.97 2p7p s HIS 115 CO 0.05 -0.47 1.14 -1.17 -0.85 0.00 0.00 174.74 173.43 2p7p s LEU 116 N 2.04 4.11 0.31 0.89 2.96 -1.26 -2.69 118.68 125.03 2p7p s LEU 116 Ca 0.12 1.46 0.08 0.00 -0.22 0.00 0.00 54.13 55.57 2p7p s LEU 116 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2p7p s LEU 116 CO 0.12 -0.74 0.12 -0.36 -1.32 0.00 0.00 176.35 174.17 2p7p s PHE 117 N 3.40 2.76 -0.02 5.38 0.40 0.81 -3.06 117.98 127.65 2p7p s PHE 117 Ca 0.49 -0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 56.45 2p7p s PHE 117 Cb -0.17 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.86 2p7p s PHE 117 CO 0.11 0.42 0.13 -2.00 0.70 0.00 0.00 175.22 174.58 2p7p s GLU 118 N -3.81 0.33 -0.27 0.44 2.12 -0.77 -1.59 118.70 115.16 2p7p s GLU 118 Ca 0.36 -0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.53 2p7p s GLU 118 Cb -0.04 0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.52 2p7p s GLU 118 CO 0.22 -0.07 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.32 2p7p s LEU 119 N -0.73 3.44 -0.18 2.70 1.43 0.37 -1.41 118.68 124.30 2p7p s LEU 119 Ca -0.08 -1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 51.93 2p7p s LEU 119 Cb -0.05 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2p7p s LEU 119 CO 0.01 -0.18 0.02 -2.28 0.23 0.00 0.00 176.35 174.15 2p7p s HIS 120 N 1.29 3.13 -0.34 0.29 2.46 0.61 -0.89 115.29 121.84 2p7p s HIS 120 Ca -0.02 -0.15 -0.12 0.00 0.47 0.00 0.00 55.06 55.24 2p7p s HIS 120 Cb -0.18 -2.04 -0.00 0.00 -0.13 0.00 0.00 32.58 30.23 2p7p s HIS 120 CO -0.03 0.01 0.21 0.00 -2.47 0.00 0.00 174.74 172.46 2p7p s ALA 121 N 0.49 3.39 0.00 1.58 0.00 -0.71 -1.22 121.76 125.28 2p7p s ALA 121 Ca -0.00 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2p7p s ALA 121 Cb -0.13 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2p7p s ALA 121 CO 0.02 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.14 2p7p n GLY 122 N 5.05 3.69 3.75 0.00 0.00 -1.26 -3.61 105.19 112.82 2p7p n GLY 122 Ca -0.13 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 2p7p n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2p7p s THR 123 N -2.50 1.07 0.09 2.61 -4.23 -1.26 -4.90 115.64 106.52 2p7p s THR 123 Ca 0.00 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.24 2p7p s THR 123 Cb 0.00 -2.13 -0.15 0.00 1.34 0.00 0.00 72.50 71.57 2p7p s THR 123 CO 0.00 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.01 2p7p h LEU 124 N 1.36 -0.38 -0.18 4.79 5.85 -2.01 0.14 115.31 124.88 2p7p h LEU 124 Ca -0.43 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.34 2p7p h LEU 124 Cb 1.32 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.40 2p7p h LEU 124 CO 0.73 -0.24 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.75 2p7p h GLU 125 N -0.38 -0.48 -0.09 1.25 3.07 -2.00 -1.36 114.58 114.60 2p7p h GLU 125 Ca -0.02 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 2p7p h GLU 125 Cb 0.32 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.28 2p7p h GLU 125 CO 0.02 -0.32 -0.35 0.93 -1.40 0.00 0.00 179.01 177.89 2p7p h GLU 126 N -0.50 -0.44 -0.92 2.33 5.08 -1.85 -0.44 114.58 117.85 2p7p h GLU 126 Ca 0.04 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 2p7p h GLU 126 Cb 0.60 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 29.81 2p7p h GLU 126 CO -0.43 -0.29 -0.37 -2.13 -1.00 0.00 0.00 179.01 174.79 2p7p n ARG 127 N -5.42 -0.23 0.03 2.33 3.00 0.49 -2.82 116.66 114.04 2p7p n ARG 127 Ca -0.04 1.41 -0.02 0.00 -0.00 0.00 0.00 57.85 59.20 2p7p n ARG 127 Cb 0.34 -2.09 -0.01 0.00 0.00 0.00 0.00 32.46 30.70 2p7p n ARG 127 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2p7p h LEU 128 N 0.00 -0.09 0.00 6.15 3.38 -0.87 -3.51 115.31 120.37 2p7p h LEU 128 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2p7p h LEU 128 Cb 0.54 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2p7p h LEU 128 CO -0.91 0.03 0.00 0.29 0.09 0.00 0.00 178.44 177.94