#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diq n SER 2 N 0.00 0.52 -4.52 1.61 3.41 -1.26 -4.58 113.62 108.80 2diq n SER 2 Ca 0.00 -0.80 -0.34 0.00 -0.26 0.00 0.00 58.87 57.48 2diq n SER 2 Cb 0.00 0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 64.09 2diq n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2diq s SER 3 N -0.26 4.76 0.37 4.04 0.15 -1.26 -4.97 113.70 116.53 2diq s SER 3 Ca 0.00 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2diq s SER 3 Cb 0.00 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2diq s SER 3 CO 0.00 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2diq n GLY 4 N 3.19 0.70 3.67 9.45 0.00 -1.26 -4.92 105.19 116.02 2diq n GLY 4 Ca -0.18 -1.13 -0.49 0.00 0.00 0.00 0.00 46.02 44.23 2diq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2diq n SER 5 N 2.85 2.93 -4.63 1.61 7.64 -1.26 -4.85 113.62 117.89 2diq n SER 5 Ca 0.00 1.05 -0.43 0.00 1.01 0.00 0.00 58.87 60.50 2diq n SER 5 Cb 0.00 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 61.83 2diq n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2diq s SER 6 N 2.30 6.25 0.00 6.43 0.01 -1.26 -4.88 113.70 122.55 2diq s SER 6 Ca 0.87 1.97 0.00 0.00 1.31 0.00 0.00 55.95 60.10 2diq s SER 6 Cb -0.77 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 62.93 2diq s SER 6 CO 0.47 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2diq n GLY 7 N 4.78 -0.86 2.85 3.44 0.00 -1.26 -4.92 105.19 109.22 2diq n GLY 7 Ca 0.21 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2diq n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2diq s ARG 8 N 0.00 1.06 0.58 1.61 0.52 -1.26 -4.97 118.95 116.49 2diq s ARG 8 Ca 0.00 -1.36 -0.18 0.00 -0.52 0.00 0.00 55.73 53.67 2diq s ARG 8 Cb 0.00 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 2diq s ARG 8 CO 0.00 -0.94 1.11 -1.12 0.02 0.00 0.00 175.30 174.38 2diq s SER 9 N 1.34 5.54 0.25 0.23 0.01 -1.26 -4.72 113.70 115.09 2diq s SER 9 Ca 0.09 2.09 -0.03 0.00 1.31 0.00 0.00 55.95 59.40 2diq s SER 9 Cb -0.18 -2.57 0.46 0.00 0.21 0.00 0.00 66.02 63.95 2diq s SER 9 CO -0.17 -1.34 1.76 -0.07 0.41 0.00 0.00 173.24 173.83 2diq h LEU 10 N 0.78 0.47 -2.18 2.44 3.38 -1.99 0.34 115.31 118.55 2diq h LEU 10 Ca -0.49 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2diq h LEU 10 Cb 1.25 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2diq h LEU 10 CO 0.56 0.22 -0.07 1.56 0.09 0.00 0.00 178.44 180.80 2diq h GLN 11 N 0.59 0.00 0.00 1.13 4.20 -2.00 -2.58 115.11 116.46 2diq h GLN 11 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 2diq h GLN 11 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2diq h GLN 11 CO -0.34 0.07 -0.21 1.25 -0.67 0.00 0.00 178.83 178.93 2diq h LEU 12 N 0.00 0.00 -0.98 1.46 5.85 -0.79 -3.15 115.31 117.70 2diq h LEU 12 Ca -0.00 0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.06 2diq h LEU 12 Cb 0.20 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.05 2diq h LEU 12 CO 0.01 0.51 0.34 -0.78 -0.34 0.00 0.00 178.44 178.18 2diq h ASP 13 N -0.81 0.04 -0.38 1.25 1.82 -0.90 0.87 116.42 118.30 2diq h ASP 13 Ca 0.00 0.25 -0.07 0.00 -0.39 0.00 0.00 57.03 56.82 2diq h ASP 13 Cb 0.21 0.33 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 2diq h ASP 13 CO 0.00 -0.35 -0.04 0.50 -1.61 0.00 0.00 179.24 177.74 2diq h LYS 14 N 0.06 0.70 -0.64 0.28 3.11 -1.62 -2.75 116.57 115.71 2diq h LYS 14 Ca 0.72 -0.25 -0.06 0.00 -2.81 0.00 0.00 60.65 58.25 2diq h LYS 14 Cb 1.72 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.87 2diq h LYS 14 CO -0.79 0.82 0.14 1.25 -2.81 0.00 0.00 179.45 178.06 2diq h LEU 15 N 0.51 0.95 -0.90 5.20 5.85 0.62 -2.69 115.31 124.85 2diq h LEU 15 Ca 0.10 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2diq h LEU 15 Cb 0.54 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2diq h LEU 15 CO 0.03 0.93 0.59 0.58 -0.34 0.00 0.00 178.44 180.23 2diq h VAL 16 N 0.96 1.21 0.51 1.05 2.07 -0.46 -2.30 116.25 119.29 2diq h VAL 16 Ca 0.20 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2diq h VAL 16 Cb 0.36 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2diq h VAL 16 CO 0.00 0.22 -0.25 -1.13 0.02 0.00 0.00 177.57 176.44 2diq h ASN 17 N 1.20 -0.58 -0.66 0.57 -0.73 -1.21 -1.62 115.58 112.55 2diq h ASN 17 Ca 0.34 -0.04 0.14 0.00 1.87 0.00 0.00 56.30 58.60 2diq h ASN 17 Cb -0.11 0.15 -0.12 0.00 0.27 0.00 0.00 38.32 38.51 2diq h ASN 17 CO -0.08 -0.31 -0.08 -0.33 -0.37 0.00 0.00 177.43 176.26 2diq h GLU 18 N -0.84 0.05 0.62 6.67 5.08 -1.35 -1.46 114.58 123.35 2diq h GLU 18 Ca -0.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2diq h GLU 18 Cb 0.59 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2diq h GLU 18 CO 0.12 0.03 -0.34 0.52 -1.00 0.00 0.00 179.01 178.34 2diq h MET 19 N 0.05 -0.85 0.00 2.33 2.86 -1.34 -1.73 114.93 116.25 2diq h MET 19 Ca 0.33 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2diq h MET 19 Cb 0.54 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2diq h MET 19 CO -0.62 -0.57 0.00 2.41 1.06 0.00 0.00 176.91 179.19 2diq n THR 20 N -4.50 0.00 -0.33 2.22 -1.04 -0.62 0.18 114.28 110.19 2diq n THR 20 Ca -0.11 1.38 0.19 0.00 -2.04 0.00 0.00 64.05 63.47 2diq n THR 20 Cb 0.36 -1.94 0.37 0.00 -1.82 0.00 0.00 70.33 67.29 2diq n THR 20 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2diq h GLN 21 N 0.00 0.04 0.00 -2.82 1.08 -1.37 1.40 115.11 113.44 2diq h GLN 21 Ca 0.00 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2diq h GLN 21 Cb 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2diq h GLN 21 CO 0.00 0.03 -0.00 1.25 -0.95 0.00 0.00 178.83 179.16 2diq h HIS 22 N 0.04 -0.00 0.90 2.96 2.76 -0.00 -2.91 115.15 118.91 2diq h HIS 22 Ca 0.66 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.79 2diq h HIS 22 Cb 1.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.44 2diq h HIS 22 CO -0.33 -0.00 -0.47 1.88 -1.30 0.00 0.00 177.93 177.70 2diq h TYR 23 N -0.00 -1.24 -1.04 5.26 0.05 0.56 -2.52 116.97 118.04 2diq h TYR 23 Ca -0.00 -0.02 0.35 0.00 0.05 0.00 0.00 58.73 59.11 2diq h TYR 23 Cb 0.00 0.42 -0.09 0.00 1.01 0.00 0.00 36.73 38.07 2diq h TYR 23 CO 0.20 -0.74 0.68 -0.85 -1.05 0.00 0.00 178.16 176.40 2diq n GLU 24 N -5.52 -0.02 -2.35 4.88 0.28 0.47 0.17 120.64 118.56 2diq n GLU 24 Ca -0.16 0.87 -0.34 0.00 -0.16 0.00 0.00 57.16 57.38 2diq n GLU 24 Cb 0.51 -1.76 0.01 0.00 1.43 0.00 0.00 31.44 31.63 2diq n GLU 24 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2diq n ASN 25 N -4.00 6.20 -2.93 -1.84 3.02 -0.95 -4.99 115.26 109.76 2diq n ASN 25 Ca 0.29 -3.76 -0.15 0.00 -0.03 0.00 0.00 54.58 50.94 2diq n ASN 25 Cb 1.16 -0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 2diq n ASN 25 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2diq n SER 26 N -0.41 -1.18 -4.85 6.41 7.64 0.46 -4.94 113.62 116.75 2diq n SER 26 Ca 0.45 -2.84 -0.28 0.00 1.01 0.00 0.00 58.87 57.21 2diq n SER 26 Cb 0.40 2.26 -0.05 0.00 -1.01 0.00 0.00 64.21 65.81 2diq n SER 26 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2diq s VAL 27 N -2.88 4.87 -0.26 0.44 -7.23 -1.26 -5.05 120.40 109.04 2diq s VAL 27 Ca 0.29 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.41 2diq s VAL 27 Cb -0.00 -3.43 -0.02 0.00 0.56 0.00 0.00 36.38 33.48 2diq s VAL 27 CO 0.21 0.01 1.64 -2.16 -0.31 0.00 0.00 175.10 174.48 2diq s PRO 28 N -2.82 3.68 -0.10 4.82 0.04 -1.26 -4.99 135.00 134.37 2diq s PRO 28 Ca 0.32 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.70 2diq s PRO 28 Cb -0.11 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 2diq s PRO 28 CO 0.25 -1.43 0.62 -1.21 0.04 0.00 0.00 177.00 175.27 2diq s GLU 29 N 4.90 4.38 -0.82 4.56 0.41 -1.26 -5.01 118.70 125.87 2diq s GLU 29 Ca 0.72 0.72 -0.19 0.00 -0.41 0.00 0.00 54.97 55.82 2diq s GLU 29 Cb -0.23 -3.46 0.13 0.00 -1.78 0.00 0.00 34.13 28.79 2diq s GLU 29 CO 0.30 0.06 0.98 0.16 -0.49 0.00 0.00 175.26 176.28 2diq s ASP 30 N 0.78 6.50 0.18 -0.19 -4.77 -1.26 -4.64 116.67 113.28 2diq s ASP 30 Ca 0.33 -1.86 0.11 0.00 -3.30 0.00 0.00 52.55 47.83 2diq s ASP 30 Cb -0.17 -2.36 -0.04 0.00 -1.09 0.00 0.00 42.92 39.26 2diq s ASP 30 CO 0.15 -1.07 -0.24 -1.48 0.70 0.00 0.00 175.17 173.23 2diq s LEU 31 N 2.57 2.45 -0.47 2.11 2.34 -1.26 -5.10 118.68 121.32 2diq s LEU 31 Ca 0.25 -0.84 -0.25 0.00 0.06 0.00 0.00 54.13 53.36 2diq s LEU 31 Cb -0.11 -1.20 0.03 0.00 -0.56 0.00 0.00 46.19 44.35 2diq s LEU 31 CO -0.04 0.13 0.91 -0.89 -1.06 0.00 0.00 176.35 175.40 2diq s THR 32 N -1.59 4.49 -0.04 5.48 2.01 -1.26 -5.03 115.64 119.70 2diq s THR 32 Ca 0.20 0.66 0.07 0.00 0.31 0.00 0.00 61.69 62.93 2diq s THR 32 Cb -0.08 -4.43 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 2diq s THR 32 CO 0.10 -0.84 -0.25 0.54 -0.69 0.00 0.00 174.62 173.47 2diq s VAL 33 N 3.71 2.04 0.20 3.82 0.11 -1.26 -5.14 120.40 123.88 2diq s VAL 33 Ca 0.36 -1.07 0.09 0.00 -2.93 0.00 0.00 61.98 58.42 2diq s VAL 33 Cb -0.11 -1.71 -0.05 0.00 -1.53 0.00 0.00 36.38 32.99 2diq s VAL 33 CO 0.25 0.57 -0.18 -1.00 -3.33 0.00 0.00 175.10 171.42 2diq s HIS 34 N -0.31 1.90 -0.39 1.54 3.76 -1.26 -5.05 115.29 115.48 2diq s HIS 34 Ca 0.01 -0.47 -0.38 0.00 -0.15 0.00 0.00 55.06 54.07 2diq s HIS 34 Cb -0.12 -0.90 -0.14 0.00 1.11 0.00 0.00 32.58 32.53 2diq s HIS 34 CO 0.02 0.42 2.15 1.55 -0.85 0.00 0.00 174.74 178.04 2diq n VAL 35 N -0.11 0.13 0.00 -0.90 3.14 -1.26 -1.49 118.33 117.84 2diq n VAL 35 Ca -0.10 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 2diq n VAL 35 Cb 0.59 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.11 2diq n VAL 35 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2diq n GLY 36 N 6.76 1.41 3.91 7.55 0.00 0.12 -4.90 105.19 120.05 2diq n GLY 36 Ca 0.45 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 2diq n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2diq s ASP 37 N -0.83 5.57 -0.10 1.61 1.01 -0.56 -4.85 116.67 118.51 2diq s ASP 37 Ca 0.00 0.79 0.01 0.00 0.71 0.00 0.00 52.55 54.06 2diq s ASP 37 Cb 0.00 -1.74 -0.02 0.00 1.01 0.00 0.00 42.92 42.17 2diq s ASP 37 CO 0.00 -1.11 -0.14 -0.63 0.21 0.00 0.00 175.17 173.49 2diq s ILE 38 N -3.05 2.97 0.22 0.77 -1.09 -1.26 -2.11 121.20 117.64 2diq s ILE 38 Ca 0.55 -0.72 -0.16 0.00 -2.23 0.00 0.00 60.65 58.09 2diq s ILE 38 Cb -0.11 -2.21 0.02 0.00 -1.58 0.00 0.00 42.46 38.58 2diq s ILE 38 CO 0.46 0.55 0.53 0.68 -1.23 0.00 0.00 174.94 175.93 2diq s VAL 39 N -0.01 0.02 -0.04 2.92 -7.23 -1.03 -4.23 120.40 110.80 2diq s VAL 39 Ca -0.04 -1.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.09 2diq s VAL 39 Cb -0.14 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 2diq s VAL 39 CO 0.04 -0.08 0.16 0.00 -0.31 0.00 0.00 175.10 174.91 2diq s ALA 40 N -3.92 3.89 -0.08 1.32 0.00 0.65 -1.29 121.76 122.33 2diq s ALA 40 Ca 0.13 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 2diq s ALA 40 Cb -0.02 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.25 2diq s ALA 40 CO 0.02 0.70 0.25 0.00 0.00 0.00 0.00 175.76 176.73 2diq s ALA 41 N -1.22 -0.62 1.13 0.00 0.00 -1.15 -1.16 121.76 118.74 2diq s ALA 41 Ca 0.23 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 2diq s ALA 41 Cb -0.12 -0.31 0.25 0.00 0.00 0.00 0.00 23.12 22.94 2diq s ALA 41 CO 0.14 -0.14 1.10 -1.25 0.00 0.00 0.00 175.76 175.61 2diq s PRO 42 N -0.17 -0.67 -0.10 0.00 0.04 -1.26 -0.65 135.00 132.19 2diq s PRO 42 Ca -0.03 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2diq s PRO 42 Cb -0.03 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.89 2diq s PRO 42 CO 0.01 -3.38 -0.09 -1.17 0.04 0.00 0.00 177.00 172.41 2diq s LEU 43 N -6.78 1.31 0.00 -3.56 2.96 -1.06 -4.80 118.68 106.74 2diq s LEU 43 Ca 0.69 -0.30 0.15 0.00 -0.22 0.00 0.00 54.13 54.45 2diq s LEU 43 Cb -0.13 -0.83 0.74 0.00 0.50 0.00 0.00 46.19 46.48 2diq s LEU 43 CO 0.57 -0.08 1.41 -0.81 -1.32 0.00 0.00 176.35 176.12 2diq n PRO 44 N 4.63 0.21 -0.08 0.98 -0.04 -1.26 0.22 135.00 139.66 2diq n PRO 44 Ca -0.16 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2diq n PRO 44 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 2diq n PRO 44 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2diq n THR 45 N -1.29 0.99 -0.05 0.52 -2.24 -1.26 -4.77 114.28 106.17 2diq n THR 45 Ca 0.07 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 2diq n THR 45 Cb 0.12 -0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 67.53 2diq n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2diq n ASN 46 N -2.67 2.69 0.00 3.42 2.85 -1.10 -5.04 115.26 115.41 2diq n ASN 46 Ca -0.26 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 2diq n ASN 46 Cb 0.93 -0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.74 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2diq n GLY 47 N 2.85 0.86 3.27 8.20 0.00 0.60 -4.96 105.19 116.01 2diq n GLY 47 Ca -0.20 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2diq n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diq s SER 48 N -2.41 2.59 0.05 1.61 0.01 -1.26 -4.69 113.70 109.61 2diq s SER 48 Ca 0.00 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 2diq s SER 48 Cb 0.00 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 2diq s SER 48 CO 0.00 0.18 1.14 0.26 0.41 0.00 0.00 173.24 175.23 2diq s TRP 49 N -0.78 3.50 -0.03 2.43 0.52 -1.26 -2.57 118.94 120.75 2diq s TRP 49 Ca 0.08 1.41 0.03 0.00 0.02 0.00 0.00 56.10 57.64 2diq s TRP 49 Cb -0.09 -3.34 0.00 0.00 -1.15 0.00 0.00 33.47 28.89 2diq s TRP 49 CO 0.02 -0.94 -0.11 0.71 0.02 0.00 0.00 176.95 176.65 2diq s TYR 50 N 0.99 1.08 -0.08 -1.98 2.02 0.17 -4.56 117.35 115.00 2diq s TYR 50 Ca 0.57 -0.27 -0.32 0.00 -0.37 0.00 0.00 57.07 56.68 2diq s TYR 50 Cb -0.27 -0.75 -0.10 0.00 -0.40 0.00 0.00 41.96 40.43 2diq s TYR 50 CO 0.29 -0.10 1.99 0.54 -1.57 0.00 0.00 175.55 176.70 2diq n ARG 51 N 3.21 2.31 -4.27 -0.62 1.74 -1.26 -2.94 116.66 114.83 2diq n ARG 51 Ca -0.18 0.81 -0.20 0.00 -0.77 0.00 0.00 57.85 57.52 2diq n ARG 51 Cb 0.54 -2.85 -0.13 0.00 -1.02 0.00 0.00 32.46 29.01 2diq n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diq s ALA 52 N 5.06 1.29 -0.22 7.54 0.00 -0.41 -1.55 121.76 133.46 2diq s ALA 52 Ca 0.94 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 2diq s ALA 52 Cb -0.56 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2diq s ALA 52 CO 0.46 0.22 0.12 0.50 0.00 0.00 0.00 175.76 177.06 2diq s ARG 53 N -1.53 4.00 0.18 0.00 3.52 0.16 -2.45 118.95 122.82 2diq s ARG 53 Ca 0.01 -0.31 -0.31 0.00 -0.13 0.00 0.00 55.73 54.98 2diq s ARG 53 Cb -0.09 -3.41 -0.10 0.00 -1.56 0.00 0.00 34.95 29.79 2diq s ARG 53 CO 0.02 0.10 1.55 0.08 -0.81 0.00 0.00 175.30 176.24 2diq s VAL 54 N 0.89 2.63 -0.18 7.11 1.01 -0.90 0.11 120.40 131.07 2diq s VAL 54 Ca 0.06 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.56 2diq s VAL 54 Cb -0.13 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 2diq s VAL 54 CO 0.03 0.04 0.20 0.18 0.00 0.00 0.00 175.10 175.55 2diq n LEU 55 N 3.70 0.18 0.00 3.92 4.77 0.19 0.12 117.00 129.88 2diq n LEU 55 Ca 0.13 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2diq n LEU 55 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2diq n LEU 55 CO 0.61 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2diq n GLY 56 N 1.48 0.05 3.05 -0.72 0.00 -1.25 -4.70 105.19 103.11 2diq n GLY 56 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 2diq n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2diq s THR 57 N 0.00 0.13 0.64 2.61 2.01 -1.26 -3.42 115.64 116.35 2diq s THR 57 Ca 0.00 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.97 2diq s THR 57 Cb 0.00 -0.64 0.12 0.00 0.01 0.00 0.00 72.50 71.99 2diq s THR 57 CO 0.00 -0.58 0.87 0.18 -0.69 0.00 0.00 174.62 174.41 2diq n LEU 58 N 1.13 0.00 0.15 4.42 4.77 0.58 -4.74 117.00 123.32 2diq n LEU 58 Ca -0.21 -2.01 0.02 0.00 -0.03 0.00 0.00 56.01 53.78 2diq n LEU 58 Cb 0.57 -0.55 0.21 0.00 -2.33 0.00 0.00 43.42 41.32 2diq n LEU 58 CO 0.22 -0.89 0.55 -0.08 -1.33 0.00 0.00 177.39 175.86 2diq h GLU 59 N 0.00 0.00 0.20 3.23 4.81 -2.03 -3.19 114.58 117.60 2diq h GLU 59 Ca -0.29 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.62 2diq h GLU 59 Cb 1.12 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.53 2diq h GLU 59 CO 0.33 0.53 -1.42 -2.95 -0.73 0.00 0.00 179.01 174.77 2diq h ASN 60 N 0.00 0.68 0.00 1.04 -1.07 -2.06 -3.48 115.58 110.68 2diq h ASN 60 Ca -0.01 -0.74 0.00 0.00 0.07 0.00 0.00 56.30 55.62 2diq h ASN 60 Cb 1.09 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 37.12 2diq h ASN 60 CO 0.07 1.59 0.00 0.61 0.07 0.00 0.00 177.43 179.76 2diq n GLY 61 N 1.66 3.16 3.22 9.14 0.00 -1.21 -5.14 105.19 116.03 2diq n GLY 61 Ca -0.14 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 2diq n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2diq n ASN 62 N 0.00 -2.53 -4.44 1.61 4.13 -1.26 -4.36 115.26 108.39 2diq n ASN 62 Ca 0.00 -0.19 -0.34 0.00 1.68 0.00 0.00 54.58 55.73 2diq n ASN 62 Cb 0.00 -0.91 -0.13 0.00 -1.54 0.00 0.00 39.78 37.21 2diq n ASN 62 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2diq s LEU 63 N -0.94 3.15 -0.58 3.41 1.43 -0.90 -0.30 118.68 123.95 2diq s LEU 63 Ca 0.53 -0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 2diq s LEU 63 Cb -0.10 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2diq s LEU 63 CO 0.61 0.11 1.86 -0.62 0.23 0.00 0.00 176.35 178.54 2diq s ASP 64 N 0.71 5.33 0.37 2.29 2.15 -1.22 -3.12 116.67 123.19 2diq s ASP 64 Ca -0.02 0.45 -0.00 0.00 0.43 0.00 0.00 52.55 53.41 2diq s ASP 64 Cb -0.14 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.92 2diq s ASP 64 CO 0.02 -2.31 0.59 -0.76 -0.17 0.00 0.00 175.17 172.54 2diq s LEU 65 N 8.86 3.93 -0.27 -1.34 1.43 -0.32 0.58 118.68 131.54 2diq s LEU 65 Ca 0.69 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 2diq s LEU 65 Cb -0.14 -3.34 0.08 0.00 0.03 0.00 0.00 46.19 42.82 2diq s LEU 65 CO 0.22 -0.38 0.01 -0.47 0.23 0.00 0.00 176.35 175.97 2diq s TYR 66 N -2.39 2.32 -0.30 0.29 5.04 0.29 0.22 117.35 122.82 2diq s TYR 66 Ca 0.42 -1.89 -0.30 0.00 -2.44 0.00 0.00 57.07 52.86 2diq s TYR 66 Cb -0.10 -1.80 -0.08 0.00 0.35 0.00 0.00 41.96 40.34 2diq s TYR 66 CO 0.37 -0.82 2.24 1.19 -1.34 0.00 0.00 175.55 177.19 2diq n PHE 67 N 4.68 1.77 0.29 4.97 3.72 -0.40 0.39 117.46 132.87 2diq n PHE 67 Ca -0.06 0.04 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 2diq n PHE 67 Cb 0.43 -2.65 0.42 0.00 -0.94 0.00 0.00 39.48 36.75 2diq n PHE 67 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 2diq h VAL 68 N 7.20 0.00 0.18 -4.37 -1.51 -1.57 1.67 116.25 117.85 2diq h VAL 68 Ca -0.34 -0.71 -0.35 0.00 -1.23 0.00 0.00 66.70 64.08 2diq h VAL 68 Cb 1.27 1.69 0.01 0.00 -2.13 0.00 0.00 31.29 32.13 2diq h VAL 68 CO 1.00 0.00 -1.73 0.44 -1.23 0.00 0.00 177.57 176.06 2diq h ASP 69 N 0.00 0.58 0.00 4.19 3.32 -1.81 0.71 116.42 123.41 2diq h ASP 69 Ca 0.00 -0.87 -0.39 0.00 0.02 0.00 0.00 57.03 55.78 2diq h ASP 69 Cb 0.73 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 2diq h ASP 69 CO 0.00 1.74 -2.42 0.49 -1.72 0.00 0.00 179.24 177.33 2diq n PHE 70 N -3.57 0.00 0.00 4.55 3.01 -1.21 -3.29 117.46 116.95 2diq n PHE 70 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 2diq n PHE 70 Cb 1.07 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 2diq n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2diq n GLY 71 N 2.00 1.91 3.18 1.37 0.00 0.57 -4.83 105.19 109.39 2diq n GLY 71 Ca -0.46 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 2diq n GLY 71 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2diq n ASP 72 N 0.11 -3.34 -4.41 1.61 2.03 -1.26 -4.43 116.55 106.87 2diq n ASP 72 Ca 0.00 -0.56 -0.33 0.00 0.52 0.00 0.00 54.79 54.42 2diq n ASP 72 Cb 0.00 -0.95 -0.14 0.00 -0.72 0.00 0.00 41.12 39.31 2diq n ASP 72 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2diq s ASN 73 N -2.50 4.14 0.18 1.67 -0.87 -1.26 -1.27 114.94 115.03 2diq s ASN 73 Ca 0.56 -0.27 0.01 0.00 -1.57 0.00 0.00 52.86 51.58 2diq s ASN 73 Cb -0.12 -1.54 0.01 0.00 -0.02 0.00 0.00 41.25 39.59 2diq s ASN 73 CO 0.50 0.19 0.08 0.61 -2.57 0.00 0.00 177.10 175.92 2diq n GLY 74 N 3.34 3.36 3.63 0.66 0.00 0.13 -4.95 105.19 111.36 2diq n GLY 74 Ca -0.18 -2.23 -0.04 0.00 0.00 0.00 0.00 46.02 43.57 2diq n GLY 74 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2diq s ASP 75 N -2.04 -0.76 -0.01 1.61 1.47 -1.26 -1.18 116.67 114.50 2diq s ASP 75 Ca 0.06 1.18 -0.28 0.00 1.18 0.00 0.00 52.55 54.69 2diq s ASP 75 Cb -0.01 1.40 0.09 0.00 -0.34 0.00 0.00 42.92 44.07 2diq s ASP 75 CO 0.04 -0.18 0.77 0.00 0.68 0.00 0.00 175.17 176.48 2diq s PRO 77 N -2.22 4.45 0.28 0.00 0.04 -1.26 -2.11 135.00 134.18 2diq s PRO 77 Ca -0.03 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.08 2diq s PRO 77 Cb -0.01 -3.13 0.68 0.00 0.04 0.00 0.00 34.50 32.09 2diq s PRO 77 CO -0.02 -0.07 1.66 1.25 0.04 0.00 0.00 177.00 179.86 2diq h LEU 78 N 3.88 0.05 -1.61 -3.56 6.46 -1.95 0.68 115.31 119.26 2diq h LEU 78 Ca -0.47 0.19 0.14 0.00 -0.12 0.00 0.00 57.88 57.61 2diq h LEU 78 Cb 1.22 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 41.34 2diq h LEU 78 CO 0.68 -0.12 0.48 0.07 -0.62 0.00 0.00 178.44 178.93 2diq h LYS 79 N 0.24 0.39 -0.73 1.25 5.09 -1.91 0.41 116.57 121.30 2diq h LYS 79 Ca 0.54 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 61.25 2diq h LYS 79 Cb 1.06 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.30 2diq h LYS 79 CO -0.62 0.26 0.00 -3.47 -2.09 0.00 0.00 179.45 173.52 2diq n ASP 80 N -4.47 3.18 -4.61 7.07 2.03 0.23 -4.15 116.55 115.83 2diq n ASP 80 Ca 0.13 -2.40 -0.24 0.00 0.52 0.00 0.00 54.79 52.80 2diq n ASP 80 Cb 0.50 -0.54 -0.08 0.00 -0.72 0.00 0.00 41.12 40.28 2diq n ASP 80 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2diq s LEU 81 N -1.33 3.07 -0.02 -2.67 1.43 0.14 -4.22 118.68 115.09 2diq s LEU 81 Ca 0.27 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2diq s LEU 81 Cb 0.20 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.80 2diq s LEU 81 CO 0.09 0.04 -0.00 -0.13 0.23 0.00 0.00 176.35 176.58 2diq s ARG 82 N -3.40 0.21 -0.41 1.70 1.81 -0.31 -4.12 118.95 114.43 2diq s ARG 82 Ca 0.29 0.05 -0.27 0.00 -1.72 0.00 0.00 55.73 54.09 2diq s ARG 82 Cb -0.07 -0.35 -0.06 0.00 -0.45 0.00 0.00 34.95 34.02 2diq s ARG 82 CO 0.18 -0.09 2.32 0.00 -0.68 0.00 0.00 175.30 177.02 2diq s ALA 83 N 0.73 2.01 -0.46 2.13 0.00 -1.26 -0.25 121.76 124.67 2diq s ALA 83 Ca -0.07 0.23 -0.44 0.00 0.00 0.00 0.00 51.96 51.68 2diq s ALA 83 Cb -0.10 -4.26 -0.18 0.00 0.00 0.00 0.00 23.12 18.58 2diq s ALA 83 CO -0.01 -3.90 1.88 -0.11 0.00 0.00 0.00 175.76 173.62 2diq n LEU 84 N 14.39 1.29 -4.64 0.00 7.94 -1.26 -4.87 117.00 129.85 2diq n LEU 84 Ca 0.34 0.91 -0.30 0.00 -1.11 0.00 0.00 56.01 55.84 2diq n LEU 84 Cb 0.52 -0.96 0.18 0.00 0.53 0.00 0.00 43.42 43.69 2diq n LEU 84 CO 0.69 -0.74 0.65 -0.13 -1.11 0.00 0.00 177.39 176.75 2diq s ARG 85 N 4.50 0.65 0.33 1.96 1.81 -1.26 -4.85 118.95 122.09 2diq s ARG 85 Ca 1.10 1.39 0.04 0.00 -1.72 0.00 0.00 55.73 56.54 2diq s ARG 85 Cb -1.38 -1.70 0.56 0.00 -0.45 0.00 0.00 34.95 31.99 2diq s ARG 85 CO 0.71 -2.83 1.85 1.03 -0.68 0.00 0.00 175.30 175.38 2diq h SER 86 N -2.01 0.50 0.35 0.23 0.87 -1.99 -2.10 113.55 109.40 2diq h SER 86 Ca -0.47 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 59.93 2diq h SER 86 Cb 1.28 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2diq h SER 86 CO 0.44 0.60 -0.27 -0.78 -0.53 0.00 0.00 176.83 176.29 2diq h ASP 87 N 0.50 0.00 1.17 6.23 3.58 -2.01 -1.78 116.42 124.12 2diq h ASP 87 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2diq h ASP 87 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2diq h ASP 87 CO 0.02 0.27 -0.19 0.49 -2.88 0.00 0.00 179.24 176.94 2diq n PHE 88 N -4.02 0.61 0.73 0.28 3.72 -0.82 -3.28 117.46 114.69 2diq n PHE 88 Ca -0.02 0.18 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 2diq n PHE 88 Cb 0.33 -0.75 0.06 0.00 -0.94 0.00 0.00 39.48 38.19 2diq n PHE 88 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2diq n LEU 89 N -2.04 0.64 -0.14 4.37 4.77 -0.70 -4.16 117.00 119.74 2diq n LEU 89 Ca 0.05 -0.08 0.25 0.00 -0.03 0.00 0.00 56.01 56.21 2diq n LEU 89 Cb 0.41 -0.12 0.69 0.00 -2.33 0.00 0.00 43.42 42.07 2diq n LEU 89 CO 0.32 0.09 1.24 -1.28 -1.33 0.00 0.00 177.39 176.42 2diq h SER 90 N 0.00 0.05 -3.20 -1.43 0.87 -1.45 -3.39 113.55 104.99 2diq h SER 90 Ca 0.00 0.01 -0.58 0.00 -1.23 0.00 0.00 61.79 59.98 2diq h SER 90 Cb 0.64 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.54 2diq h SER 90 CO 0.00 0.02 -0.11 -0.22 -0.53 0.00 0.00 176.83 175.99 2diq s LEU 91 N -8.69 4.43 0.82 2.23 0.20 -1.26 -5.07 118.68 111.34 2diq s LEU 91 Ca -0.05 1.05 -0.11 0.00 0.69 0.00 0.00 54.13 55.71 2diq s LEU 91 Cb 0.21 -2.76 0.09 0.00 -0.43 0.00 0.00 46.19 43.30 2diq s LEU 91 CO 0.76 0.20 1.09 -2.16 -0.29 0.00 0.00 176.35 175.95 2diq s PRO 92 N -0.53 1.85 -0.43 0.98 0.04 -1.26 -4.92 135.00 130.72 2diq s PRO 92 Ca 0.27 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 2diq s PRO 92 Cb -0.17 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2diq s PRO 92 CO 0.15 -1.89 1.84 -0.06 0.04 0.00 0.00 177.00 177.08 2diq s PHE 93 N -2.92 1.74 0.24 0.56 0.08 -1.26 -4.86 117.98 111.57 2diq s PHE 93 Ca 0.62 0.73 -0.05 0.00 0.12 0.00 0.00 56.93 58.35 2diq s PHE 93 Cb -0.17 -4.09 0.36 0.00 -0.57 0.00 0.00 43.02 38.54 2diq s PHE 93 CO 0.56 -2.69 1.84 1.96 -0.10 0.00 0.00 175.22 176.79 2diq h GLN 94 N 13.82 0.88 -4.64 0.44 1.08 -1.81 -3.37 115.11 121.50 2diq h GLN 94 Ca -0.30 -0.05 -0.69 0.00 -1.45 0.00 0.00 58.65 56.15 2diq h GLN 94 Cb 1.17 -0.20 -0.21 0.00 -0.05 0.00 0.00 27.48 28.19 2diq h GLN 94 CO 1.10 0.58 -0.48 0.00 -0.95 0.00 0.00 178.83 179.08 2diq s ALA 95 N -6.05 3.43 0.08 3.87 0.00 0.25 -4.97 121.76 118.37 2diq s ALA 95 Ca -0.12 -1.53 0.05 0.00 0.00 0.00 0.00 51.96 50.35 2diq s ALA 95 Cb 0.19 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2diq s ALA 95 CO 0.79 -1.16 -0.02 0.42 0.00 0.00 0.00 175.76 175.79 2diq s ILE 96 N 1.67 3.93 -0.59 0.00 -1.09 -1.26 -4.57 121.20 119.29 2diq s ILE 96 Ca 0.05 -0.98 -0.08 0.00 -2.23 0.00 0.00 60.65 57.42 2diq s ILE 96 Cb -0.18 -2.85 0.08 0.00 -1.58 0.00 0.00 42.46 37.92 2diq s ILE 96 CO 0.09 0.16 0.19 -1.84 -1.23 0.00 0.00 174.94 172.31 2diq n GLU 97 N 0.71 -1.73 -0.85 2.79 0.28 -1.26 -4.69 120.64 115.89 2diq n GLU 97 Ca -0.12 0.04 -0.16 0.00 -0.16 0.00 0.00 57.16 56.77 2diq n GLU 97 Cb 0.52 -3.33 0.04 0.00 1.43 0.00 0.00 31.44 30.10 2diq n GLU 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2diq s SER 99 N 0.19 6.26 -0.31 0.00 0.01 -1.26 -4.42 113.70 114.16 2diq s SER 99 Ca 0.30 0.18 -0.35 0.00 1.31 0.00 0.00 55.95 57.39 2diq s SER 99 Cb 0.24 -1.88 -0.11 0.00 0.21 0.00 0.00 66.02 64.47 2diq s SER 99 CO 0.00 0.10 2.12 0.18 0.41 0.00 0.00 173.24 176.06 2diq n LEU 100 N -0.16 2.36 -4.74 2.44 4.77 -1.26 -4.87 117.00 115.53 2diq n LEU 100 Ca -0.06 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 56.01 2diq n LEU 100 Cb 0.53 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.31 2diq n LEU 100 CO 0.49 -0.63 1.15 0.00 -1.33 0.00 0.00 177.39 177.07 2diq s ALA 101 N 6.72 3.68 -0.27 -1.18 0.00 -1.26 -5.00 121.76 124.45 2diq s ALA 101 Ca 1.06 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.37 2diq s ALA 101 Cb -0.83 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 18.76 2diq s ALA 101 CO 0.50 -0.76 -0.06 0.50 0.00 0.00 0.00 175.76 175.93 2diq s ARG 102 N 0.12 2.49 0.69 0.00 3.00 -1.26 -5.11 118.95 118.87 2diq s ARG 102 Ca 0.63 -1.20 -0.07 0.00 -1.00 0.00 0.00 55.73 54.09 2diq s ARG 102 Cb -0.43 -3.00 0.05 0.00 0.00 0.00 0.00 34.95 31.58 2diq s ARG 102 CO 0.39 -0.53 1.00 0.96 0.00 0.00 0.00 175.30 177.13 2diq s ILE 103 N 1.22 2.57 -0.22 4.11 -5.25 -1.26 -5.11 121.20 117.25 2diq s ILE 103 Ca -0.05 -0.18 -0.19 0.00 -0.99 0.00 0.00 60.65 59.25 2diq s ILE 103 Cb -0.19 -3.10 0.06 0.00 2.95 0.00 0.00 42.46 42.18 2diq s ILE 103 CO -0.04 -0.11 0.59 0.00 -1.79 0.00 0.00 174.94 173.58 2diq s ALA 104 N -3.22 -1.48 0.70 2.27 0.00 -1.26 -5.16 121.76 113.61 2diq s ALA 104 Ca 0.59 1.77 -0.13 0.00 0.00 0.00 0.00 51.96 54.19 2diq s ALA 104 Cb -0.11 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.00 2diq s ALA 104 CO 0.45 -0.29 1.10 -1.12 0.00 0.00 0.00 175.76 175.90 2diq s SER 105 N 0.64 4.93 0.00 0.00 0.01 -1.26 -4.43 113.70 113.59 2diq s SER 105 Ca -0.03 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.13 2diq s SER 105 Cb -0.05 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2diq s SER 105 CO -0.04 -1.75 0.00 0.61 0.41 0.00 0.00 173.24 172.47 2diq n GLY 106 N -0.91 2.97 0.00 3.44 0.00 -1.26 -4.89 105.19 104.54 2diq n GLY 106 Ca 0.10 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.52 2diq n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2diq n PRO 107 N 0.00 0.48 -0.26 1.61 -0.04 -1.26 -4.06 135.00 131.47 2diq n PRO 107 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2diq n PRO 107 Cb 0.00 -1.38 0.14 0.00 -0.04 0.00 0.00 33.50 32.22 2diq n PRO 107 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2diq n SER 108 N -0.88 -0.20 -4.51 3.54 3.41 -1.26 -4.45 113.62 109.27 2diq n SER 108 Ca 0.09 1.25 -0.50 0.00 -0.26 0.00 0.00 58.87 59.46 2diq n SER 108 Cb 0.04 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.54 2diq n SER 108 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2diq n SER 109 N -5.13 0.29 0.00 4.04 3.41 -1.26 -5.25 113.62 109.72 2diq n SER 109 Ca 0.14 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.89 2diq n SER 109 Cb 0.44 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2diq n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49