#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p7s h ARG 6 N 0.00 -0.04 -0.92 -0.67 0.11 -2.02 -0.92 114.38 109.93 2p7s h ARG 6 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2p7s h ARG 6 Cb 0.00 0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.04 2p7s h ARG 6 CO 0.00 -0.02 0.53 0.93 0.10 0.00 0.00 179.97 181.51 2p7s h GLU 7 N -0.04 1.26 -0.25 0.08 5.08 -1.96 -1.30 114.58 117.46 2p7s h GLU 7 Ca 0.04 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2p7s h GLU 7 Cb 0.10 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2p7s h GLU 7 CO -0.09 0.90 0.07 2.35 -1.00 0.00 0.00 179.01 181.24 2p7s h TRP 8 N 1.27 0.42 -0.81 4.33 -0.00 -1.66 -1.19 115.95 118.31 2p7s h TRP 8 Ca 0.33 -0.05 0.04 0.00 -0.00 0.00 0.00 58.89 59.21 2p7s h TRP 8 Cb -0.02 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.16 28.97 2p7s h TRP 8 CO 0.01 0.48 0.51 0.93 -0.00 0.00 0.00 178.44 180.37 2p7s h GLU 9 N 0.24 0.97 -0.64 2.65 4.39 -0.83 0.13 114.58 121.49 2p7s h GLU 9 Ca 0.08 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 2p7s h GLU 9 Cb 0.26 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2p7s h GLU 9 CO -0.00 0.64 0.05 -0.22 -1.16 0.00 0.00 179.01 178.32 2p7s h LYS 10 N 0.99 1.09 -0.30 2.33 3.64 -1.08 -1.82 116.57 121.43 2p7s h LYS 10 Ca 0.33 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2p7s h LYS 10 Cb 0.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2p7s h LYS 10 CO -0.12 1.03 0.14 0.35 -2.27 0.00 0.00 179.45 178.57 2p7s h PHE 11 N 1.00 0.44 -0.50 1.91 3.57 -0.36 -0.80 116.94 122.20 2p7s h PHE 11 Ca 0.19 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2p7s h PHE 11 Cb 0.50 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2p7s h PHE 11 CO 0.04 0.40 0.32 0.87 -2.23 0.00 0.00 178.31 177.71 2p7s h LYS 12 N 0.34 0.66 -0.28 1.11 1.57 -0.87 0.19 116.57 119.29 2p7s h LYS 12 Ca 0.10 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2p7s h LYS 12 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2p7s h LYS 12 CO -0.01 0.45 0.12 1.15 -0.57 0.00 0.00 179.45 180.59 2p7s h THR 13 N 0.67 1.17 0.01 -0.16 2.02 -1.18 -0.35 112.91 115.09 2p7s h THR 13 Ca 0.18 -0.52 -0.19 0.00 0.77 0.00 0.00 66.41 66.65 2p7s h THR 13 Cb -0.06 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2p7s h THR 13 CO -0.04 0.18 -0.87 0.50 0.37 0.00 0.00 175.52 175.66 2p7s h LYS 14 N 0.31 0.07 0.00 6.66 3.64 -0.99 -3.41 116.57 122.85 2p7s h LYS 14 Ca 0.10 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2p7s h LYS 14 Cb 0.17 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2p7s h LYS 14 CO -0.01 0.89 -0.50 0.72 -2.27 0.00 0.00 179.45 178.28 2p7s n HIS 15 N -3.57 0.00 -4.26 1.91 8.25 0.64 -4.84 115.22 113.35 2p7s n HIS 15 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 2p7s n HIS 15 Cb 0.82 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.82 2p7s n HIS 15 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2p7s s ILE 16 N -1.49 4.26 0.01 1.59 1.01 -0.14 0.89 121.20 127.32 2p7s s ILE 16 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.47 2p7s s ILE 16 Cb 0.00 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 2p7s s ILE 16 CO 0.00 0.49 -0.14 0.28 0.00 0.00 0.00 174.94 175.57 2p7s s THR 17 N 0.23 1.12 -2.15 2.92 -1.32 -0.23 -4.73 115.64 111.49 2p7s s THR 17 Ca 0.00 -0.77 0.26 0.00 -1.21 0.00 0.00 61.69 59.97 2p7s s THR 17 Cb -0.13 -0.97 0.30 0.00 -1.51 0.00 0.00 72.50 70.19 2p7s s THR 17 CO 0.02 0.19 1.51 -1.54 -2.21 0.00 0.00 174.62 172.59 2p7s n SER 18 N 2.39 1.54 -4.81 8.08 3.41 -1.26 -2.75 113.62 120.22 2p7s n SER 18 Ca -0.16 -1.29 -0.32 0.00 -0.26 0.00 0.00 58.87 56.84 2p7s n SER 18 Cb 0.55 0.14 0.02 0.00 -0.26 0.00 0.00 64.21 64.65 2p7s n SER 18 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2p7s s GLN 19 N -2.30 3.26 0.61 4.33 -0.21 -1.26 -4.98 119.66 119.12 2p7s s GLN 19 Ca 0.28 1.15 -0.09 0.00 0.02 0.00 0.00 55.36 56.72 2p7s s GLN 19 Cb 0.20 -2.03 -0.01 0.00 1.00 0.00 0.00 33.01 32.17 2p7s s GLN 19 CO 0.45 -0.85 0.97 -1.54 -2.12 0.00 0.00 175.29 172.21 2p7s s SER 20 N -2.97 5.84 0.32 5.90 1.04 -1.26 -4.86 113.70 117.72 2p7s s SER 20 Ca 0.62 1.07 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2p7s s SER 20 Cb -0.15 -2.08 0.55 0.00 0.10 0.00 0.00 66.02 64.43 2p7s s SER 20 CO 0.40 -1.01 1.98 0.58 0.98 0.00 0.00 173.24 176.17 2p7s h VAL 21 N -0.29 1.16 -0.15 5.02 2.07 -1.96 -1.08 116.25 121.02 2p7s h VAL 21 Ca -0.45 -0.34 -0.19 0.00 0.82 0.00 0.00 66.70 66.54 2p7s h VAL 21 Cb 1.23 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2p7s h VAL 21 CO 0.62 0.18 -0.68 0.00 0.02 0.00 0.00 177.57 177.71 2p7s h ALA 22 N 1.54 0.52 0.00 1.67 0.00 -2.04 -3.20 119.26 117.75 2p7s h ALA 22 Ca 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2p7s h ALA 22 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2p7s h ALA 22 CO -0.07 0.71 -0.23 -0.25 0.00 0.00 0.00 179.25 179.41 2p7s n ASP 23 N -3.91 0.63 -4.75 0.00 8.00 -1.04 -4.86 116.55 110.62 2p7s n ASP 23 Ca -0.05 0.36 -0.41 0.00 0.71 0.00 0.00 54.79 55.40 2p7s n ASP 23 Cb 0.69 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 2p7s n ASP 23 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2p7s s PHE 24 N -3.10 3.47 -0.19 1.24 5.36 -0.44 -4.91 117.98 119.41 2p7s s PHE 24 Ca 0.10 1.54 -0.03 0.00 -0.96 0.00 0.00 56.93 57.58 2p7s s PHE 24 Cb 0.14 -3.38 0.06 0.00 -0.34 0.00 0.00 43.02 39.50 2p7s s PHE 24 CO 0.63 -0.97 0.03 1.21 -1.46 0.00 0.00 175.22 174.66 2p7s s ASN 25 N -0.32 2.93 0.25 6.13 3.84 -1.26 -5.00 114.94 121.50 2p7s s ASN 25 Ca 0.49 -0.82 -0.04 0.00 0.21 0.00 0.00 52.86 52.70 2p7s s ASN 25 Cb -0.33 -0.62 0.42 0.00 -0.55 0.00 0.00 41.25 40.17 2p7s s ASN 25 CO 0.39 -0.30 1.79 0.00 -2.79 0.00 0.00 177.10 176.19 2p7s h ASN 27 N 0.70 0.00 0.00 0.00 2.35 -1.90 -0.41 115.58 116.32 2p7s h ASN 27 Ca 0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.15 2p7s h ASN 27 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2p7s h ASN 27 CO -0.29 0.00 -0.16 -0.09 -1.65 0.00 0.00 177.43 175.25 2p7s h ARG 28 N 0.00 0.00 -0.32 0.81 2.43 -1.62 -3.36 114.38 112.33 2p7s h ARG 28 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2p7s h ARG 28 Cb 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2p7s h ARG 28 CO 0.00 0.18 -0.40 1.15 -1.51 0.00 0.00 179.97 179.38 2p7s h THR 29 N -1.00 1.28 0.00 0.20 2.02 -1.25 -1.88 112.91 112.29 2p7s h THR 29 Ca -0.02 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.58 2p7s h THR 29 Cb 0.29 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2p7s h THR 29 CO -0.01 0.52 0.00 0.24 0.37 0.00 0.00 175.52 176.64 2p7s h MET 30 N 0.64 0.00 -0.19 6.66 2.86 -1.30 -1.51 114.93 122.08 2p7s h MET 30 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2p7s h MET 30 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2p7s h MET 30 CO 0.09 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.15 2p7s n ASN 31 N -2.88 3.06 -4.47 1.22 3.02 -1.02 -1.48 115.26 112.70 2p7s n ASN 31 Ca -0.01 -2.61 -0.43 0.00 -0.03 0.00 0.00 54.58 51.50 2p7s n ASN 31 Cb 0.15 -0.36 -0.09 0.00 -0.61 0.00 0.00 39.78 38.87 2p7s n ASN 31 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2p7s s ASP 32 N -1.73 6.15 0.60 6.41 -1.08 -0.57 -4.94 116.67 121.51 2p7s s ASP 32 Ca 0.29 -0.80 0.31 0.00 -0.52 0.00 0.00 52.55 51.83 2p7s s ASP 32 Cb 0.22 -2.19 1.71 0.00 -1.46 0.00 0.00 42.92 41.20 2p7s s ASP 32 CO 0.08 -0.52 1.95 1.55 0.52 0.00 0.00 175.17 178.76 2p7s h PRO 33 N 8.68 0.00 0.00 4.34 0.13 -1.91 0.10 132.00 143.34 2p7s h PRO 33 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2p7s h PRO 33 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2p7s h PRO 33 CO 0.76 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.43 2p7s h ALA 34 N 1.54 1.02 0.00 -0.56 0.00 -1.92 -3.24 119.26 116.09 2p7s h ALA 34 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2p7s h ALA 34 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2p7s h ALA 34 CO 0.00 0.13 -0.06 0.66 0.00 0.00 0.00 179.25 179.98 2p7s n TYR 35 N -3.24 0.00 -3.44 0.00 4.02 -0.01 -4.89 117.16 109.60 2p7s n TYR 35 Ca 0.00 -0.55 -0.27 0.00 -0.01 0.00 0.00 57.90 57.08 2p7s n TYR 35 Cb 0.37 -0.08 -0.08 0.00 -0.02 0.00 0.00 39.34 39.53 2p7s n TYR 35 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2p7s n THR 36 N -0.70 1.56 -0.33 -0.72 -2.24 -1.03 -4.26 114.28 106.57 2p7s n THR 36 Ca 0.05 -4.88 0.06 0.00 -2.27 0.00 0.00 64.05 57.01 2p7s n THR 36 Cb 0.47 -2.07 0.21 0.00 -2.10 0.00 0.00 70.33 66.84 2p7s n THR 36 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2p7s h PRO 37 N 4.35 0.86 -0.27 -0.78 0.11 -1.90 -0.84 132.00 133.54 2p7s h PRO 37 Ca 0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2p7s h PRO 37 Cb 0.72 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2p7s h PRO 37 CO 0.73 0.57 0.00 -0.25 -0.21 0.00 0.00 178.00 178.85 2p7s n ASP 38 N -4.69 1.42 0.00 -2.05 8.00 -1.26 -5.00 116.55 112.97 2p7s n ASP 38 Ca 0.17 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.67 2p7s n ASP 38 Cb 0.33 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2p7s n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p7s n GLY 39 N 0.92 2.75 3.92 0.44 0.00 -0.32 -5.03 105.19 107.87 2p7s n GLY 39 Ca 0.09 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 2p7s n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p7s s GLN 40 N -3.43 3.13 -1.40 1.61 1.11 -1.26 -4.39 119.66 115.02 2p7s s GLN 40 Ca 0.00 -0.00 -0.09 0.00 0.01 0.00 0.00 55.36 55.28 2p7s s GLN 40 Cb 0.00 -2.34 0.02 0.00 -1.01 0.00 0.00 33.01 29.68 2p7s s GLN 40 CO 0.00 -0.50 1.11 0.00 0.01 0.00 0.00 175.29 175.91 2p7s s LYS 42 N -6.28 3.61 0.36 0.00 -0.14 -1.26 -4.94 119.74 111.09 2p7s s LYS 42 Ca 0.56 1.08 0.05 0.00 -1.36 0.00 0.00 55.97 56.30 2p7s s LYS 42 Cb -0.25 -2.08 0.72 0.00 -1.68 0.00 0.00 37.83 34.54 2p7s s LYS 42 CO 0.70 -0.56 1.97 -1.00 -0.76 0.00 0.00 175.35 175.70 2p7s h PRO 43 N 0.63 0.75 -2.01 -1.68 0.13 -1.94 -3.46 132.00 124.42 2p7s h PRO 43 Ca -0.47 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2p7s h PRO 43 Cb 1.20 -0.17 -0.20 0.00 0.13 0.00 0.00 31.00 31.96 2p7s h PRO 43 CO 0.59 0.50 0.16 -1.50 -0.23 0.00 0.00 178.00 177.52 2p7s s ILE 44 N -5.68 0.00 -0.15 -3.56 2.07 -1.26 -3.52 121.20 109.11 2p7s s ILE 44 Ca -0.10 -0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.85 2p7s s ILE 44 Cb 0.19 -0.99 0.08 0.00 0.13 0.00 0.00 42.46 41.86 2p7s s ILE 44 CO 0.77 -0.00 0.73 0.21 -1.91 0.00 0.00 174.94 174.74 2p7s s ASN 45 N -0.49 -0.66 -0.11 4.50 2.47 -0.81 -5.02 114.94 114.82 2p7s s ASN 45 Ca -0.06 0.95 0.01 0.00 0.42 0.00 0.00 52.86 54.18 2p7s s ASN 45 Cb -0.02 0.86 -0.02 0.00 -1.45 0.00 0.00 41.25 40.62 2p7s s ASN 45 CO 0.06 -0.44 -0.13 -0.89 -3.72 0.00 0.00 177.10 171.98 2p7s s THR 46 N -0.57 3.13 -0.08 -5.21 2.01 -1.26 -0.86 115.64 112.79 2p7s s THR 46 Ca -0.06 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 2p7s s THR 46 Cb -0.02 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 2p7s s THR 46 CO 0.05 0.54 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.12 2p7s s PHE 47 N 0.06 3.02 -0.29 4.92 0.40 0.11 -4.63 117.98 121.57 2p7s s PHE 47 Ca -0.05 0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.23 2p7s s PHE 47 Cb -0.14 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2p7s s PHE 47 CO 0.04 0.33 0.12 0.42 0.70 0.00 0.00 175.22 176.83 2p7s s ILE 48 N -0.69 4.50 -1.04 0.64 1.01 0.26 -1.44 121.20 124.43 2p7s s ILE 48 Ca 0.11 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.24 2p7s s ILE 48 Cb -0.11 -3.22 0.10 0.00 0.01 0.00 0.00 42.46 39.23 2p7s s ILE 48 CO 0.02 0.17 1.36 -1.00 0.00 0.00 0.00 174.94 175.49 2p7s s HIS 49 N 1.61 2.91 0.05 3.97 3.76 -0.51 -1.06 115.29 126.01 2p7s s HIS 49 Ca 0.05 -1.31 -0.28 0.00 -0.15 0.00 0.00 55.06 53.38 2p7s s HIS 49 Cb -0.16 -4.50 0.09 0.00 1.11 0.00 0.00 32.58 29.12 2p7s s HIS 49 CO 0.05 -1.68 1.00 -1.54 -0.85 0.00 0.00 174.74 171.72 2p7s s SER 50 N 4.11 -0.22 0.82 1.40 1.04 -1.11 -4.47 113.70 115.27 2p7s s SER 50 Ca 0.41 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 2p7s s SER 50 Cb -0.02 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.57 2p7s s SER 50 CO -0.06 -0.67 1.09 0.42 0.98 0.00 0.00 173.24 175.00 2p7s s THR 51 N -3.04 3.09 0.16 2.02 -4.23 -1.26 -4.47 115.64 107.91 2p7s s THR 51 Ca 0.10 0.35 -0.05 0.00 -1.18 0.00 0.00 61.69 60.91 2p7s s THR 51 Cb -0.00 -2.88 -0.10 0.00 1.34 0.00 0.00 72.50 70.85 2p7s s THR 51 CO -0.03 -0.46 1.43 0.71 -0.54 0.00 0.00 174.62 175.72 2p7s h THR 52 N -1.26 1.33 -0.44 3.99 1.35 -1.98 -3.36 112.91 112.55 2p7s h THR 52 Ca -0.46 -1.98 0.09 0.00 -0.55 0.00 0.00 66.41 63.51 2p7s h THR 52 Cb 1.25 1.95 -0.09 0.00 -1.73 0.00 0.00 68.15 69.53 2p7s h THR 52 CO 0.54 0.61 -0.26 1.23 -0.25 0.00 0.00 175.52 177.39 2p7s h GLY 53 N 1.03 -0.03 1.46 5.82 0.00 -1.99 -1.29 103.07 108.07 2p7s h GLY 53 Ca -0.02 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.69 2p7s h GLY 53 CO 0.13 -0.21 0.24 -2.55 0.00 0.00 0.00 176.54 174.15 2p7s h PRO 54 N -0.17 0.24 -0.06 4.80 0.11 -1.98 -1.00 132.00 133.93 2p7s h PRO 54 Ca 0.20 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 66.05 2p7s h PRO 54 Cb 0.49 -0.05 0.02 0.00 0.11 0.00 0.00 31.00 31.56 2p7s h PRO 54 CO -0.54 0.16 -0.94 0.28 -0.21 0.00 0.00 178.00 176.75 2p7s h VAL 55 N 0.24 1.28 -0.33 3.15 2.07 -1.47 -3.16 116.25 118.03 2p7s h VAL 55 Ca 0.16 -2.15 -0.06 0.00 0.82 0.00 0.00 66.70 65.46 2p7s h VAL 55 Cb 0.31 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 2p7s h VAL 55 CO -0.03 0.67 -0.07 0.50 0.02 0.00 0.00 177.57 178.66 2p7s h LYS 56 N 0.44 0.54 -0.09 1.57 3.64 -0.46 -2.46 116.57 119.75 2p7s h LYS 56 Ca -0.10 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2p7s h LYS 56 Cb 1.58 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.33 2p7s h LYS 56 CO 0.19 0.62 0.18 0.93 -2.27 0.00 0.00 179.45 179.09 2p7s h GLU 57 N 0.51 0.00 -0.16 1.90 4.39 -1.18 -0.87 114.58 119.18 2p7s h GLU 57 Ca 0.10 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.85 2p7s h GLU 57 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2p7s h GLU 57 CO 0.02 0.00 0.15 0.82 -1.16 0.00 0.00 179.01 178.84 2p7s h ILE 58 N 0.00 0.59 -0.63 3.13 2.04 -1.52 -1.42 117.51 119.71 2p7s h ILE 58 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2p7s h ILE 58 Cb 0.40 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2p7s h ILE 58 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 2p7s h ARG 60 N 3.85 0.00 0.00 0.00 0.11 -1.36 -2.05 114.38 114.93 2p7s h ARG 60 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2p7s h ARG 60 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2p7s h ARG 60 CO 0.00 0.00 -0.00 0.54 0.10 0.00 0.00 179.97 180.61 2p7s n ARG 61 N -2.99 2.57 -3.01 0.08 1.74 -1.26 -4.98 116.66 108.81 2p7s n ARG 61 Ca -0.02 -1.47 -0.38 0.00 -0.77 0.00 0.00 57.85 55.21 2p7s n ARG 61 Cb 0.27 -0.98 -0.06 0.00 -1.02 0.00 0.00 32.46 30.67 2p7s n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2p7s s ALA 62 N -1.01 3.42 -0.07 7.54 0.00 -0.77 -5.07 121.76 125.79 2p7s s ALA 62 Ca 0.02 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.33 2p7s s ALA 62 Cb 0.02 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2p7s s ALA 62 CO 0.00 0.29 -0.18 0.95 0.00 0.00 0.00 175.76 176.82 2p7s s THR 63 N -1.31 1.58 0.00 0.00 -4.23 -1.26 -4.20 115.64 106.21 2p7s s THR 63 Ca 0.39 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 2p7s s THR 63 Cb -0.21 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.26 2p7s s THR 63 CO 0.24 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.38 2p7s n GLY 64 N 3.42 -1.72 3.52 3.99 0.00 -1.26 -4.58 105.19 108.56 2p7s n GLY 64 Ca -0.20 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 2p7s n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p7s s ARG 65 N 0.00 3.32 -0.00 1.61 0.52 -1.25 -1.32 118.95 121.83 2p7s s ARG 65 Ca 0.00 -0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 54.79 2p7s s ARG 65 Cb 0.00 -4.00 0.01 0.00 0.52 0.00 0.00 34.95 31.48 2p7s s ARG 65 CO 0.00 -1.24 0.23 0.14 0.02 0.00 0.00 175.30 174.45 2p7s s VAL 66 N 3.34 0.07 0.18 3.52 -7.23 -0.59 -4.95 120.40 114.75 2p7s s VAL 66 Ca 0.27 -0.61 -0.28 0.00 -1.81 0.00 0.00 61.98 59.55 2p7s s VAL 66 Cb -0.14 -0.58 -0.08 0.00 0.56 0.00 0.00 36.38 36.15 2p7s s VAL 66 CO 0.19 -0.33 0.87 0.20 -0.31 0.00 0.00 175.10 175.72 2p7s s ASN 67 N -1.45 7.51 -0.01 4.85 0.01 -1.26 -0.08 114.94 124.51 2p7s s ASN 67 Ca -0.13 1.78 0.02 0.00 -0.71 0.00 0.00 52.86 53.82 2p7s s ASN 67 Cb -0.06 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 2p7s s ASN 67 CO 0.02 0.14 -0.07 -0.54 -1.51 0.00 0.00 177.10 175.14 2p7s s LYS 68 N -0.94 0.60 0.03 -0.60 -0.14 0.83 -4.93 119.74 114.59 2p7s s LYS 68 Ca 0.40 -0.25 -0.16 0.00 -1.36 0.00 0.00 55.97 54.59 2p7s s LYS 68 Cb -0.24 -0.58 -0.06 0.00 -1.68 0.00 0.00 37.83 35.27 2p7s s LYS 68 CO 0.29 0.15 0.46 -1.12 -0.76 0.00 0.00 175.35 174.37 2p7s s SER 69 N -0.12 6.90 0.43 2.83 0.01 -1.26 -2.00 113.70 120.48 2p7s s SER 69 Ca 0.02 1.07 -0.22 0.00 1.31 0.00 0.00 55.95 58.12 2p7s s SER 69 Cb -0.03 -2.29 -0.09 0.00 0.21 0.00 0.00 66.02 63.82 2p7s s SER 69 CO -0.00 0.31 1.01 -0.94 0.41 0.00 0.00 173.24 174.03 2p7s s SER 70 N -1.10 6.72 0.07 2.44 1.04 -0.63 -4.94 113.70 117.29 2p7s s SER 70 Ca 0.26 1.91 0.24 0.00 0.48 0.00 0.00 55.95 58.84 2p7s s SER 70 Cb -0.18 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 63.74 2p7s s SER 70 CO 0.15 -0.52 1.32 0.35 0.98 0.00 0.00 173.24 175.52 2p7s n THR 71 N -0.42 0.21 -4.36 2.02 -2.24 -1.26 -4.68 114.28 103.54 2p7s n THR 71 Ca 0.07 -0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 2p7s n THR 71 Cb 0.52 0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 2p7s n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2p7s s GLN 72 N -3.11 2.00 0.10 -0.78 -2.07 -1.26 -5.11 119.66 109.44 2p7s s GLN 72 Ca 0.08 -1.50 -0.05 0.00 -1.82 0.00 0.00 55.36 52.06 2p7s s GLN 72 Cb 0.15 -2.02 -0.05 0.00 -1.09 0.00 0.00 33.01 30.00 2p7s s GLN 72 CO 0.72 0.37 0.34 -0.65 -1.32 0.00 0.00 175.29 174.76 2p7s s GLN 73 N -3.39 3.61 0.23 9.60 -0.21 -1.26 -4.54 119.66 123.71 2p7s s GLN 73 Ca 0.29 -0.09 0.08 0.00 0.02 0.00 0.00 55.36 55.66 2p7s s GLN 73 Cb -0.07 -2.93 -0.05 0.00 1.00 0.00 0.00 33.01 30.97 2p7s s GLN 73 CO 0.17 0.52 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.67 2p7s s PHE 74 N -1.55 1.85 -0.19 0.91 0.40 0.31 -4.87 117.98 114.85 2p7s s PHE 74 Ca 0.37 -0.57 -0.24 0.00 -0.60 0.00 0.00 56.93 55.88 2p7s s PHE 74 Cb -0.13 -0.90 -0.01 0.00 0.51 0.00 0.00 43.02 42.49 2p7s s PHE 74 CO 0.23 0.39 0.80 0.99 0.70 0.00 0.00 175.22 178.32 2p7s s THR 75 N -2.92 4.89 -0.07 0.64 2.01 -1.26 -1.96 115.64 116.97 2p7s s THR 75 Ca 0.25 1.55 0.04 0.00 0.31 0.00 0.00 61.69 63.84 2p7s s THR 75 Cb -0.00 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.41 2p7s s THR 75 CO 0.09 0.02 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.09 2p7s s LEU 76 N 2.25 1.91 -0.20 4.42 1.43 0.15 -1.43 118.68 127.22 2p7s s LEU 76 Ca 0.36 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 2p7s s LEU 76 Cb -0.16 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 2p7s s LEU 76 CO 0.11 0.13 -0.03 -0.89 0.23 0.00 0.00 176.35 175.90 2p7s s THR 77 N 0.32 3.64 -0.17 5.49 2.01 -0.52 -0.92 115.64 125.48 2p7s s THR 77 Ca -0.13 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 2p7s s THR 77 Cb -0.15 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 2p7s s THR 77 CO 0.05 0.44 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.47 2p7s s THR 78 N 1.06 3.52 -0.22 -0.82 2.01 0.19 0.06 115.64 121.45 2p7s s THR 78 Ca 0.01 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.45 2p7s s THR 78 Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2p7s s THR 78 CO 0.01 0.48 0.10 0.00 -0.69 0.00 0.00 174.62 174.51 2p7s s LYS 80 N 0.88 2.13 -1.31 0.00 -2.85 -0.74 -1.91 119.74 115.94 2p7s s LYS 80 Ca 0.05 -1.65 -0.07 0.00 -1.00 0.00 0.00 55.97 53.30 2p7s s LYS 80 Cb -0.13 0.54 -0.00 0.00 -2.06 0.00 0.00 37.83 36.17 2p7s s LYS 80 CO 0.03 -0.95 0.57 0.09 0.10 0.00 0.00 175.35 175.19 2p7s n ASN 81 N -1.53 -2.03 -4.76 0.03 3.02 -1.23 -0.68 115.26 108.08 2p7s n ASN 81 Ca -0.04 -1.00 -0.36 0.00 -0.03 0.00 0.00 54.58 53.15 2p7s n ASN 81 Cb 0.61 -3.21 0.02 0.00 -0.61 0.00 0.00 39.78 36.58 2p7s n ASN 81 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2p7s s PRO 82 N -6.34 3.14 -0.23 3.52 0.04 -1.26 -4.30 135.00 129.57 2p7s s PRO 82 Ca 0.16 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 2p7s s PRO 82 Cb -0.06 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.56 2p7s s PRO 82 CO 0.87 -1.06 0.06 0.42 0.04 0.00 0.00 177.00 177.33 2p7s s ILE 83 N -1.62 0.51 -1.43 0.56 -1.09 -0.11 -4.76 121.20 113.26 2p7s s ILE 83 Ca 0.75 -0.74 -0.09 0.00 -2.23 0.00 0.00 60.65 58.34 2p7s s ILE 83 Cb -0.29 -1.14 0.05 0.00 -1.58 0.00 0.00 42.46 39.49 2p7s s ILE 83 CO 0.32 -0.37 0.97 0.54 -1.23 0.00 0.00 174.94 175.18 2p7s n ARG 84 N 5.04 -6.00 -1.65 2.79 1.74 -1.26 -1.93 116.66 115.38 2p7s n ARG 84 Ca -0.07 0.67 -0.15 0.00 -0.77 0.00 0.00 57.85 57.53 2p7s n ARG 84 Cb 0.46 -5.53 -0.05 0.00 -1.02 0.00 0.00 32.46 26.31 2p7s n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2p7s s LYS 86 N -3.64 3.30 0.33 0.00 -0.14 -0.81 -4.81 119.74 113.97 2p7s s LYS 86 Ca 0.00 -0.68 0.08 0.00 -1.36 0.00 0.00 55.97 54.01 2p7s s LYS 86 Cb 0.00 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 2p7s s LYS 86 CO 0.00 0.26 0.12 0.71 -0.76 0.00 0.00 175.35 175.68 2p7s s TYR 87 N 0.23 2.71 0.07 3.18 1.51 -1.26 -0.94 117.35 122.86 2p7s s TYR 87 Ca -0.08 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 55.49 2p7s s TYR 87 Cb -0.15 -1.58 -0.06 0.00 -0.11 0.00 0.00 41.96 40.06 2p7s s TYR 87 CO 0.05 0.38 0.45 -1.12 -1.11 0.00 0.00 175.55 174.20 2p7s s SER 88 N -3.82 6.75 -0.05 2.29 0.01 0.14 -4.90 113.70 114.13 2p7s s SER 88 Ca 0.37 0.93 0.04 0.00 1.31 0.00 0.00 55.95 58.60 2p7s s SER 88 Cb -0.03 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2p7s s SER 88 CO 0.22 0.20 -0.16 -1.58 0.41 0.00 0.00 173.24 172.34 2p7s s GLN 89 N -1.66 1.71 0.01 12.44 0.74 -1.26 -1.79 119.66 129.85 2p7s s GLN 89 Ca 0.31 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 55.18 2p7s s GLN 89 Cb -0.15 -1.47 -0.01 0.00 1.10 0.00 0.00 33.01 32.48 2p7s s GLN 89 CO 0.17 0.19 -0.04 -1.54 -0.55 0.00 0.00 175.29 173.52 2p7s s SER 90 N 0.17 0.37 -0.04 6.67 1.04 -0.96 -5.01 113.70 115.94 2p7s s SER 90 Ca -0.06 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.15 2p7s s SER 90 Cb -0.12 0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.02 2p7s s SER 90 CO 0.02 -0.11 -0.16 0.54 0.98 0.00 0.00 173.24 174.52 2p7s s ASN 91 N -0.73 2.01 0.14 7.02 4.22 -1.26 -0.63 114.94 125.71 2p7s s ASN 91 Ca -0.06 -0.33 -0.07 0.00 -2.14 0.00 0.00 52.86 50.27 2p7s s ASN 91 Cb -0.05 -0.58 -0.02 0.00 1.28 0.00 0.00 41.25 41.88 2p7s s ASN 91 CO -0.00 0.13 0.21 0.42 -2.04 0.00 0.00 177.10 175.82 2p7s s THR 92 N 0.10 0.09 -0.12 0.54 -4.23 -0.10 -4.98 115.64 106.95 2p7s s THR 92 Ca -0.05 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2p7s s THR 92 Cb -0.11 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 2p7s s THR 92 CO 0.02 -0.41 -0.16 0.42 -0.54 0.00 0.00 174.62 173.95 2p7s s THR 93 N -3.97 2.80 0.10 3.99 -4.23 -1.26 0.29 115.64 113.36 2p7s s THR 93 Ca 0.17 -0.76 -0.25 0.00 -1.18 0.00 0.00 61.69 59.67 2p7s s THR 93 Cb 0.05 -2.15 0.09 0.00 1.34 0.00 0.00 72.50 71.83 2p7s s THR 93 CO -0.01 0.54 1.12 0.21 -0.54 0.00 0.00 174.62 175.94 2p7s s ASN 94 N 0.27 -0.03 0.75 3.99 3.84 -0.83 -4.93 114.94 118.00 2p7s s ASN 94 Ca -0.11 -0.44 -0.08 0.00 0.21 0.00 0.00 52.86 52.44 2p7s s ASN 94 Cb -0.16 0.36 0.08 0.00 -0.55 0.00 0.00 41.25 40.99 2p7s s ASN 94 CO 0.06 -0.71 1.07 -0.36 -2.79 0.00 0.00 177.10 174.37 2p7s s PHE 95 N -2.35 2.66 0.10 0.43 0.40 -1.26 -0.53 117.98 117.42 2p7s s PHE 95 Ca 0.21 0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.97 2p7s s PHE 95 Cb -0.01 -3.32 -0.04 0.00 0.51 0.00 0.00 43.02 40.16 2p7s s PHE 95 CO 0.02 -1.62 -0.09 0.96 0.70 0.00 0.00 175.22 175.19 2p7s s ILE 96 N -3.35 0.84 -0.18 0.64 -4.36 -1.23 0.26 121.20 113.82 2p7s s ILE 96 Ca 0.62 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 2p7s s ILE 96 Cb -0.10 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.18 2p7s s ILE 96 CO 0.46 -0.67 -0.16 0.00 0.24 0.00 0.00 174.94 174.81 2p7s s ILE 98 N 1.19 1.08 -0.17 0.00 -4.36 -0.85 -1.01 121.20 117.09 2p7s s ILE 98 Ca 0.02 -2.04 -0.08 0.00 -0.26 0.00 0.00 60.65 58.28 2p7s s ILE 98 Cb -0.14 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 2p7s s ILE 98 CO -0.07 -0.45 0.11 -0.89 0.24 0.00 0.00 174.94 173.88 2p7s s THR 99 N -3.39 5.24 0.11 8.37 2.01 0.53 -0.12 115.64 128.39 2p7s s THR 99 Ca 0.25 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.43 2p7s s THR 99 Cb 0.05 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2p7s s THR 99 CO 0.06 0.50 0.00 0.00 -0.69 0.00 0.00 174.62 174.50 2p7s s ARG 101 N -2.50 1.73 7.97 0.00 3.00 0.06 -1.54 118.95 127.67 2p7s s ARG 101 Ca 0.26 -2.33 0.00 0.00 -1.00 0.00 0.00 55.73 52.66 2p7s s ARG 101 Cb -0.11 -3.10 0.00 0.00 0.00 0.00 0.00 34.95 31.74 2p7s s ARG 101 CO 0.18 -1.08 0.00 -0.25 0.00 0.00 0.00 175.30 174.15 2p7s n ASP 102 N 3.45 0.00 -0.47 -2.12 8.00 -0.43 -1.77 116.55 123.22 2p7s n ASP 102 Ca 0.05 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.65 2p7s n ASP 102 Cb 0.35 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.84 2p7s n ASP 102 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2p7s n ASN 103 N 8.98 1.41 -4.38 -2.24 6.94 -1.26 -4.38 115.26 120.34 2p7s n ASN 103 Ca 0.00 -1.67 -0.33 0.00 -0.02 0.00 0.00 54.58 52.56 2p7s n ASN 103 Cb 0.00 -0.09 -0.14 0.00 -2.36 0.00 0.00 39.78 37.19 2p7s n ASN 103 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2p7s s TYR 104 N -1.82 2.85 0.18 -2.53 1.51 -0.73 -4.67 117.35 112.15 2p7s s TYR 104 Ca 0.31 -0.64 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 2p7s s TYR 104 Cb 0.16 -1.88 -0.08 0.00 -0.11 0.00 0.00 41.96 40.05 2p7s s TYR 104 CO 0.25 -0.22 1.32 -2.14 -1.11 0.00 0.00 175.55 173.65 2p7s s PRO 105 N 0.44 4.37 0.00 -1.71 0.02 -1.26 -0.76 135.00 136.10 2p7s s PRO 105 Ca -0.09 2.05 0.00 0.00 0.02 0.00 0.00 61.00 62.99 2p7s s PRO 105 Cb -0.16 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2p7s s PRO 105 CO 0.04 -0.29 0.00 1.33 -0.33 0.00 0.00 177.00 177.75 2p7s n VAL 106 N 2.93 0.00 -3.72 3.83 0.24 0.07 -4.06 118.33 117.63 2p7s n VAL 106 Ca 0.07 -0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 2p7s n VAL 106 Cb 0.43 0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 33.22 2p7s n VAL 106 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2p7s s HIS 107 N -1.29 -0.51 -0.29 6.34 5.65 -1.12 -4.74 115.29 119.33 2p7s s HIS 107 Ca 0.00 1.21 -0.18 0.00 0.25 0.00 0.00 55.06 56.34 2p7s s HIS 107 Cb 0.00 0.19 -0.02 0.00 -1.18 0.00 0.00 32.58 31.57 2p7s s HIS 107 CO 0.00 -0.25 0.51 0.12 -0.65 0.00 0.00 174.74 174.46 2p7s s PHE 108 N 0.41 3.23 -0.16 3.88 2.19 -1.26 -0.35 117.98 125.93 2p7s s PHE 108 Ca -0.01 0.48 -0.12 0.00 0.33 0.00 0.00 56.93 57.60 2p7s s PHE 108 Cb -0.04 -2.78 -0.08 0.00 -1.31 0.00 0.00 43.02 38.81 2p7s s PHE 108 CO -0.02 -0.36 -0.02 0.28 1.83 0.00 0.00 175.22 176.93 2p7s h VAL 109 N 5.47 0.31 -2.31 3.12 2.07 -1.41 -3.48 116.25 120.02 2p7s h VAL 109 Ca -0.29 -1.37 0.16 0.00 0.82 0.00 0.00 66.70 66.02 2p7s h VAL 109 Cb 1.14 0.72 -0.11 0.00 -1.52 0.00 0.00 31.29 31.53 2p7s h VAL 109 CO 0.73 0.11 0.49 -1.59 0.02 0.00 0.00 177.57 177.33 2p7s s LYS 110 N -2.20 1.06 0.25 1.57 -2.85 -0.96 -5.01 119.74 111.59 2p7s s LYS 110 Ca -0.17 -0.53 -0.23 0.00 -1.00 0.00 0.00 55.97 54.04 2p7s s LYS 110 Cb 0.03 0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 36.10 2p7s s LYS 110 CO 0.31 -0.48 0.81 0.99 0.10 0.00 0.00 175.35 177.09 2p7s s THR 111 N -3.22 4.41 0.00 3.79 2.01 -1.26 -0.56 115.64 120.81 2p7s s THR 111 Ca 0.10 1.54 0.00 0.00 0.31 0.00 0.00 61.69 63.64 2p7s s THR 111 Cb -0.01 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.54 2p7s s THR 111 CO -0.02 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 2p7s n GLY 112 N 0.79 -0.32 3.75 4.40 0.00 0.73 -4.79 105.19 109.74 2p7s n GLY 112 Ca -0.01 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 2p7s n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p7s s LYS 113 N -1.05 2.92 0.00 1.61 -0.14 -1.26 -2.38 119.74 119.44 2p7s s LYS 113 Ca 0.00 1.89 0.04 0.00 -1.36 0.00 0.00 55.97 56.54 2p7s s LYS 113 Cb 0.00 -1.94 0.22 0.00 -1.68 0.00 0.00 37.83 34.43 2p7s s LYS 113 CO 0.00 -1.27 0.70 0.00 -0.76 0.00 0.00 175.35 174.02