#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 0.99 -4.32 1.61 3.41 -1.26 -4.71 113.62 109.34 2diq n SER 2 Ca 0.00 -0.01 -0.45 0.00 -0.26 0.00 0.00 58.87 58.15 2diq n SER 2 Cb 0.00 0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 2diq n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2diq s SER 3 N -6.05 7.00 -0.32 4.04 1.04 -1.26 -4.69 113.70 113.47 2diq s SER 3 Ca -0.20 -3.23 0.05 0.00 0.48 0.00 0.00 55.95 53.05 2diq s SER 3 Cb 0.07 -2.19 0.22 0.00 0.10 0.00 0.00 66.02 64.22 2diq s SER 3 CO 0.73 -0.40 1.17 0.61 0.98 0.00 0.00 173.24 176.34 2diq n GLY 4 N 3.20 0.34 3.79 7.32 0.00 -1.26 -5.15 105.19 113.43 2diq n GLY 4 Ca 0.19 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2diq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2diq s SER 5 N -0.66 6.23 -0.88 1.61 0.15 -1.26 -4.99 113.70 113.90 2diq s SER 5 Ca 0.11 2.02 -0.13 0.00 0.70 0.00 0.00 55.95 58.66 2diq s SER 5 Cb 0.23 -2.57 0.23 0.00 -1.71 0.00 0.00 66.02 62.20 2diq s SER 5 CO -0.05 -0.86 0.82 -0.55 1.20 0.00 0.00 173.24 173.79 2diq s SER 6 N -1.84 6.81 0.00 5.45 0.15 -1.26 -4.89 113.70 118.12 2diq s SER 6 Ca 0.67 -2.88 0.00 0.00 0.70 0.00 0.00 55.95 54.44 2diq s SER 6 Cb -0.20 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2diq s SER 6 CO 0.23 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2diq n GLY 7 N 3.69 0.34 3.62 9.45 0.00 -1.26 -5.01 105.19 116.02 2diq n GLY 7 Ca 0.16 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.65 2diq n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2diq n ARG 8 N 0.00 1.25 -4.15 1.61 0.63 -1.26 -4.96 116.66 109.78 2diq n ARG 8 Ca 0.00 0.45 -0.24 0.00 -0.92 0.00 0.00 57.85 57.14 2diq n ARG 8 Cb 0.00 -2.12 -0.06 0.00 0.45 0.00 0.00 32.46 30.74 2diq n ARG 8 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2diq s SER 9 N 1.11 5.27 0.09 6.15 0.01 -1.26 -4.99 113.70 120.08 2diq s SER 9 Ca 0.87 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 57.61 2diq s SER 9 Cb -0.95 -1.28 -0.14 0.00 0.21 0.00 0.00 66.02 63.87 2diq s SER 9 CO 0.49 0.02 1.70 -0.07 0.41 0.00 0.00 173.24 175.79 2diq h LEU 10 N 1.99 0.06 -0.95 2.44 3.38 -1.98 0.29 115.31 120.54 2diq h LEU 10 Ca -0.47 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 57.61 2diq h LEU 10 Cb 1.22 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 2diq h LEU 10 CO 0.61 0.09 0.54 1.56 0.09 0.00 0.00 178.44 181.34 2diq h GLN 11 N 0.02 0.71 0.06 1.13 4.20 -1.99 -0.15 115.11 119.08 2diq h GLN 11 Ca 0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2diq h GLN 11 Cb 0.05 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2diq h GLN 11 CO -0.00 0.47 -0.03 1.25 -0.67 0.00 0.00 178.83 179.85 2diq h LEU 12 N 0.73 -0.07 -1.38 1.46 5.85 -1.89 -2.98 115.31 117.04 2diq h LEU 12 Ca 0.53 0.00 0.47 0.00 0.84 0.00 0.00 57.88 59.72 2diq h LEU 12 Cb 0.77 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.69 2diq h LEU 12 CO -0.37 0.01 0.90 -0.67 -0.34 0.00 0.00 178.44 177.97 2diq n ASP 13 N -2.57 0.19 -0.10 1.25 -0.08 0.06 0.17 116.55 115.47 2diq n ASP 13 Ca -0.01 1.31 -0.11 0.00 -1.51 0.00 0.00 54.79 54.47 2diq n ASP 13 Cb 0.03 -0.64 -0.03 0.00 2.34 0.00 0.00 41.12 42.81 2diq n ASP 13 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2diq h LYS 14 N 0.00 0.53 -0.10 -0.67 3.11 -1.08 -2.40 116.57 115.96 2diq h LYS 14 Ca 0.85 -0.18 -0.07 0.00 -2.81 0.00 0.00 60.65 58.44 2diq h LYS 14 Cb 2.81 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 33.99 2diq h LYS 14 CO -0.42 0.69 -0.27 1.25 -2.81 0.00 0.00 179.45 177.90 2diq h LEU 15 N 0.32 0.18 -0.42 5.20 5.85 0.20 -2.79 115.31 123.85 2diq h LEU 15 Ca 0.08 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2diq h LEU 15 Cb 0.46 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2diq h LEU 15 CO 0.02 0.46 -0.03 0.58 -0.34 0.00 0.00 178.44 179.13 2diq h VAL 16 N 0.17 1.27 -0.10 1.05 2.07 -1.00 -2.19 116.25 117.52 2diq h VAL 16 Ca 0.03 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 2diq h VAL 16 Cb 0.57 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2diq h VAL 16 CO 0.04 0.36 0.06 -1.13 0.02 0.00 0.00 177.57 176.92 2diq h ASN 17 N 0.59 0.12 0.13 0.57 -0.73 -1.23 0.12 115.58 115.16 2diq h ASN 17 Ca 0.12 -0.07 0.01 0.00 1.87 0.00 0.00 56.30 58.23 2diq h ASN 17 Cb 0.52 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 2diq h ASN 17 CO 0.03 0.15 -0.19 -0.33 -0.37 0.00 0.00 177.43 176.72 2diq h GLU 18 N 0.08 -0.37 0.30 6.67 4.39 -1.47 0.38 114.58 124.57 2diq h GLU 18 Ca 0.04 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2diq h GLU 18 Cb 0.06 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2diq h GLU 18 CO -0.01 -0.24 -0.26 0.52 -1.16 0.00 0.00 179.01 177.86 2diq h MET 19 N -0.38 -0.56 0.00 2.33 2.86 -1.32 -0.72 114.93 117.14 2diq h MET 19 Ca 0.02 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2diq h MET 19 Cb 0.39 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2diq h MET 19 CO -0.09 -0.37 0.00 2.41 1.06 0.00 0.00 176.91 179.92 2diq n THR 20 N -5.39 0.00 0.04 2.22 -1.04 0.02 0.11 114.28 110.25 2diq n THR 20 Ca -0.09 1.25 0.18 0.00 -2.04 0.00 0.00 64.05 63.35 2diq n THR 20 Cb 0.29 -2.14 0.40 0.00 -1.82 0.00 0.00 70.33 67.06 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 0.00 0.00 -2.82 4.20 -1.01 0.72 115.11 116.21 2diq h GLN 21 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2diq h GLN 21 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2diq h GLN 21 CO 0.00 0.00 0.00 1.58 -0.67 0.00 0.00 178.83 179.74 2diq n HIS 22 N -3.07 0.00 -0.12 2.96 -0.00 -0.28 -4.18 115.22 110.53 2diq n HIS 22 Ca 0.12 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.23 2diq n HIS 22 Cb 1.13 -0.27 0.02 0.00 -0.12 0.00 0.00 29.99 30.74 2diq n HIS 22 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2diq h TYR 23 N 0.00 0.37 -0.92 1.57 0.05 0.36 -2.40 116.97 116.00 2diq h TYR 23 Ca 0.00 0.02 0.33 0.00 0.05 0.00 0.00 58.73 59.12 2diq h TYR 23 Cb 0.00 -0.11 -0.10 0.00 1.01 0.00 0.00 36.73 37.53 2diq h TYR 23 CO 0.00 0.20 0.58 0.39 -1.05 0.00 0.00 178.16 178.27 2diq n GLU 24 N -4.92 -0.03 -2.30 4.88 -0.58 0.25 0.20 120.64 118.14 2diq n GLU 24 Ca 0.01 0.90 -0.32 0.00 -0.42 0.00 0.00 57.16 57.33 2diq n GLU 24 Cb 0.09 -1.74 0.01 0.00 -0.57 0.00 0.00 31.44 29.23 2diq n GLU 24 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2diq n ASN 25 N -4.20 5.84 -4.09 1.62 5.03 -0.90 -5.00 115.26 113.56 2diq n ASN 25 Ca 0.28 -3.76 -0.09 0.00 0.87 0.00 0.00 54.58 51.87 2diq n ASN 25 Cb 1.07 -0.72 -0.09 0.00 -1.02 0.00 0.00 39.78 39.02 2diq n ASN 25 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2diq s SER 26 N -2.55 0.24 0.31 6.41 0.01 0.54 -5.03 113.70 113.64 2diq s SER 26 Ca 0.49 -1.09 -0.10 0.00 1.31 0.00 0.00 55.95 56.55 2diq s SER 26 Cb 0.40 0.33 -0.07 0.00 0.21 0.00 0.00 66.02 66.89 2diq s SER 26 CO -0.27 -0.77 0.66 0.68 0.41 0.00 0.00 173.24 173.95 2diq s VAL 27 N -4.02 4.84 -0.24 3.43 -7.23 -1.26 -5.02 120.40 110.90 2diq s VAL 27 Ca 0.21 0.56 -0.29 0.00 -1.81 0.00 0.00 61.98 60.66 2diq s VAL 27 Cb 0.06 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 2diq s VAL 27 CO 0.00 -0.27 1.63 -2.16 -0.31 0.00 0.00 175.10 173.99 2diq s PRO 28 N -3.29 3.73 -0.10 4.82 0.04 -1.26 -4.99 135.00 133.95 2diq s PRO 28 Ca 0.50 1.59 -0.23 0.00 0.04 0.00 0.00 61.00 62.90 2diq s PRO 28 Cb -0.11 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 2diq s PRO 28 CO 0.25 -1.38 0.67 -1.21 0.04 0.00 0.00 177.00 175.37 2diq s GLU 29 N 4.81 4.39 -0.83 4.56 0.41 -1.26 -5.01 118.70 125.78 2diq s GLU 29 Ca 0.72 0.80 -0.19 0.00 -0.41 0.00 0.00 54.97 55.89 2diq s GLU 29 Cb -0.24 -3.47 0.12 0.00 -1.78 0.00 0.00 34.13 28.76 2diq s GLU 29 CO 0.30 0.01 1.02 -0.51 -0.49 0.00 0.00 175.26 175.59 2diq s ASP 30 N 0.85 6.49 0.22 -0.19 1.01 -1.26 -4.67 116.67 119.11 2diq s ASP 30 Ca 0.35 -1.80 0.11 0.00 0.71 0.00 0.00 52.55 51.92 2diq s ASP 30 Cb -0.17 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2diq s ASP 30 CO 0.16 -1.11 -0.17 -1.48 0.21 0.00 0.00 175.17 172.77 2diq s LEU 31 N 2.79 2.67 -0.50 1.23 2.34 -1.26 -5.10 118.68 120.85 2diq s LEU 31 Ca 0.27 -0.82 -0.24 0.00 0.06 0.00 0.00 54.13 53.40 2diq s LEU 31 Cb -0.10 -1.31 0.03 0.00 -0.56 0.00 0.00 46.19 44.25 2diq s LEU 31 CO -0.04 0.08 0.86 -0.89 -1.06 0.00 0.00 176.35 175.31 2diq s THR 32 N -1.97 4.53 -0.09 5.48 2.01 -1.26 -5.03 115.64 119.32 2diq s THR 32 Ca 0.25 0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.63 2diq s THR 32 Cb -0.07 -4.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.00 2diq s THR 32 CO 0.13 -0.90 -0.18 0.54 -0.69 0.00 0.00 174.62 173.52 2diq s VAL 33 N 3.58 2.70 0.19 3.82 0.11 -1.26 -5.13 120.40 124.41 2diq s VAL 33 Ca 0.30 -0.82 0.11 0.00 -2.93 0.00 0.00 61.98 58.65 2diq s VAL 33 Cb -0.12 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 2diq s VAL 33 CO 0.21 0.56 -0.24 -1.00 -3.33 0.00 0.00 175.10 171.30 2diq s HIS 34 N -0.04 2.27 -0.42 1.54 3.76 -1.26 -5.03 115.29 116.10 2diq s HIS 34 Ca -0.05 -0.37 -0.42 0.00 -0.15 0.00 0.00 55.06 54.08 2diq s HIS 34 Cb -0.14 -1.13 -0.17 0.00 1.11 0.00 0.00 32.58 32.25 2diq s HIS 34 CO 0.04 0.48 1.97 1.55 -0.85 0.00 0.00 174.74 177.93 2diq n VAL 35 N 0.30 0.10 0.00 -0.90 3.14 -1.26 -0.94 118.33 118.78 2diq n VAL 35 Ca -0.13 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 2diq n VAL 35 Cb 0.56 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.44 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 5.94 1.85 3.82 7.55 0.00 0.27 -4.90 105.19 119.72 2diq n GLY 36 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.79 6.83 -0.26 1.61 1.01 -0.11 -4.81 116.67 119.15 2diq s ASP 37 Ca 0.00 1.69 -0.09 0.00 0.71 0.00 0.00 52.55 54.86 2diq s ASP 37 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2diq s ASP 37 CO 0.00 -0.44 0.12 -0.63 0.21 0.00 0.00 175.17 174.43 2diq s ILE 38 N -2.24 4.76 0.29 0.77 -1.09 -1.26 -2.61 121.20 119.82 2diq s ILE 38 Ca 0.62 -0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 59.02 2diq s ILE 38 Cb -0.10 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 2diq s ILE 38 CO 0.17 0.31 0.32 0.68 -1.23 0.00 0.00 174.94 175.19 2diq s VAL 39 N 1.55 0.00 -0.04 2.92 -7.23 -1.18 -4.18 120.40 112.25 2diq s VAL 39 Ca 0.06 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2diq s VAL 39 Cb -0.15 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2diq s VAL 39 CO 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 174.85 2diq s ALA 40 N -3.59 3.25 -0.09 1.32 0.00 0.49 -2.47 121.76 120.67 2diq s ALA 40 Ca 0.35 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 2diq s ALA 40 Cb 0.02 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.79 2diq s ALA 40 CO 0.19 0.62 0.31 0.00 0.00 0.00 0.00 175.76 176.88 2diq s ALA 41 N -0.98 -0.77 0.81 0.00 0.00 -0.97 -1.31 121.76 118.53 2diq s ALA 41 Ca 0.16 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 2diq s ALA 41 Cb -0.11 -0.38 0.08 0.00 0.00 0.00 0.00 23.12 22.70 2diq s ALA 41 CO 0.06 -0.18 1.09 -1.25 0.00 0.00 0.00 175.76 175.49 2diq s PRO 42 N -0.19 1.96 -0.20 0.00 0.04 -1.26 -1.20 135.00 134.15 2diq s PRO 42 Ca -0.03 1.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 2diq s PRO 42 Cb -0.03 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 2diq s PRO 42 CO 0.01 -1.82 -0.05 -1.17 0.04 0.00 0.00 177.00 174.01 2diq s LEU 43 N -6.01 2.92 0.20 -3.56 2.96 0.18 -4.87 118.68 110.49 2diq s LEU 43 Ca 0.62 -0.35 0.21 0.00 -0.22 0.00 0.00 54.13 54.39 2diq s LEU 43 Cb -0.17 -1.73 0.89 0.00 0.50 0.00 0.00 46.19 45.68 2diq s LEU 43 CO 0.56 0.02 1.65 -0.81 -1.32 0.00 0.00 176.35 176.46 2diq n PRO 44 N 4.50 0.15 -0.11 0.98 -0.04 -1.26 0.15 135.00 139.37 2diq n PRO 44 Ca -0.18 0.39 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 2diq n PRO 44 Cb 0.51 -1.78 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.06 1.52 -0.06 0.52 -2.24 -1.26 -4.67 114.28 106.02 2diq n THR 45 Ca 0.02 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 2diq n THR 45 Cb 0.21 -2.07 -0.13 0.00 -2.10 0.00 0.00 70.33 66.24 2diq n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2diq n ASN 46 N -4.43 2.04 -0.11 3.42 3.02 -1.21 -5.03 115.26 112.95 2diq n ASN 46 Ca -0.32 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2diq n ASN 46 Cb 0.66 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2diq n GLY 47 N 1.92 0.90 3.15 7.41 0.00 0.40 -5.00 105.19 113.97 2diq n GLY 47 Ca -0.38 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.02 0.30 0.11 1.61 0.01 -1.24 -4.78 113.70 107.69 2diq s SER 48 Ca 0.00 -0.83 -0.23 0.00 1.31 0.00 0.00 55.95 56.20 2diq s SER 48 Cb 0.00 0.27 -0.07 0.00 0.21 0.00 0.00 66.02 66.43 2diq s SER 48 CO 0.00 -0.67 0.70 0.26 0.41 0.00 0.00 173.24 173.94 2diq s TRP 49 N -3.89 3.84 0.05 2.43 0.52 -1.26 0.48 118.94 121.11 2diq s TRP 49 Ca 0.06 1.48 -0.04 0.00 0.02 0.00 0.00 56.10 57.63 2diq s TRP 49 Cb 0.06 -2.69 -0.02 0.00 -1.15 0.00 0.00 33.47 29.67 2diq s TRP 49 CO -0.10 0.49 0.06 0.71 0.02 0.00 0.00 176.95 178.13 2diq s TYR 50 N -0.93 0.32 -0.11 -1.98 1.51 -0.34 -4.58 117.35 111.25 2diq s TYR 50 Ca 0.34 -0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 2diq s TYR 50 Cb -0.21 -0.22 -0.01 0.00 -0.11 0.00 0.00 41.96 41.40 2diq s TYR 50 CO 0.23 -0.40 1.05 1.03 -1.11 0.00 0.00 175.55 176.35 2diq s ARG 51 N -3.34 4.39 0.12 -0.62 0.52 -1.26 -2.30 118.95 116.46 2diq s ARG 51 Ca 0.01 1.45 0.00 0.00 -0.52 0.00 0.00 55.73 56.67 2diq s ARG 51 Cb 0.03 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2diq s ARG 51 CO -0.08 -0.38 0.01 0.00 0.02 0.00 0.00 175.30 174.87 2diq s ALA 52 N 2.19 0.95 -0.21 2.13 0.00 -1.03 -2.86 121.76 122.92 2diq s ALA 52 Ca 0.49 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 2diq s ALA 52 Cb -0.19 0.57 -0.00 0.00 0.00 0.00 0.00 23.12 23.49 2diq s ALA 52 CO 0.18 -0.38 -0.07 0.50 0.00 0.00 0.00 175.76 175.98 2diq s ARG 53 N -3.96 3.32 0.24 0.00 3.52 0.26 -3.09 118.95 119.25 2diq s ARG 53 Ca 0.19 -0.66 -0.31 0.00 -0.13 0.00 0.00 55.73 54.83 2diq s ARG 53 Cb 0.07 -2.93 -0.11 0.00 -1.56 0.00 0.00 34.95 30.42 2diq s ARG 53 CO -0.01 -0.19 1.56 0.08 -0.81 0.00 0.00 175.30 175.94 2diq s VAL 54 N 1.42 2.34 -0.21 7.11 1.01 -1.07 0.16 120.40 131.15 2diq s VAL 54 Ca 0.05 0.27 0.11 0.00 0.00 0.00 0.00 61.98 62.41 2diq s VAL 54 Cb -0.14 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.91 2diq s VAL 54 CO -0.05 0.04 0.34 0.18 0.00 0.00 0.00 175.10 175.61 2diq n LEU 55 N 2.81 0.20 0.00 3.92 4.77 0.20 0.98 117.00 129.88 2diq n LEU 55 Ca 0.10 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2diq n LEU 55 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2diq n LEU 55 CO 0.62 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2diq n GLY 56 N 1.63 -0.31 3.16 -0.72 0.00 -1.26 -4.68 105.19 103.01 2diq n GLY 56 Ca -0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.35 2.61 2.01 -1.26 -4.09 115.64 115.39 2diq s THR 57 Ca 0.00 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.00 2diq s THR 57 Cb 0.00 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 2diq s THR 57 CO 0.00 -0.59 0.43 -0.76 -0.69 0.00 0.00 174.62 173.01 2diq s LEU 58 N -2.29 3.80 0.41 4.42 1.43 0.18 -4.73 118.68 121.91 2diq s LEU 58 Ca -0.02 -0.33 0.12 0.00 -1.03 0.00 0.00 54.13 52.87 2diq s LEU 58 Cb 0.01 -2.55 0.88 0.00 0.03 0.00 0.00 46.19 44.55 2diq s LEU 58 CO -0.06 -0.46 1.94 -0.33 0.23 0.00 0.00 176.35 177.68 2diq h GLU 59 N 0.97 0.10 0.00 1.70 4.39 -2.03 -2.20 114.58 117.51 2diq h GLU 59 Ca -0.45 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.09 2diq h GLU 59 Cb 1.26 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 2diq h GLU 59 CO 0.54 0.28 -0.67 -2.95 -1.16 0.00 0.00 179.01 175.04 2diq h ASN 60 N 0.10 0.00 0.00 1.42 -1.07 -2.06 -3.48 115.58 110.49 2diq h ASN 60 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.39 2diq h ASN 60 Cb 0.38 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.63 2diq h ASN 60 CO 0.03 0.67 0.00 0.61 0.07 0.00 0.00 177.43 178.81 2diq n GLY 61 N 1.23 2.67 3.42 9.14 0.00 -0.83 -5.12 105.19 115.69 2diq n GLY 61 Ca 0.01 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.78 -4.59 1.61 4.13 -1.26 -4.31 115.26 109.06 2diq n ASN 62 Ca 0.00 0.11 -0.35 0.00 1.68 0.00 0.00 54.58 56.02 2diq n ASN 62 Cb 0.00 -1.17 -0.10 0.00 -1.54 0.00 0.00 39.78 36.96 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 -3.02 3.69 -0.58 3.41 1.43 -0.27 0.50 118.68 123.85 2diq s LEU 63 Ca 0.60 0.01 -0.27 0.00 -1.03 0.00 0.00 54.13 53.44 2diq s LEU 63 Cb -0.19 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 2diq s LEU 63 CO 0.65 0.14 1.65 -0.62 0.23 0.00 0.00 176.35 178.40 2diq s ASP 64 N 0.56 5.72 0.12 2.29 2.15 -1.26 -2.95 116.67 123.29 2diq s ASP 64 Ca 0.02 0.35 -0.05 0.00 0.43 0.00 0.00 52.55 53.30 2diq s ASP 64 Cb -0.13 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.90 2diq s ASP 64 CO 0.01 -2.03 0.36 -0.76 -0.17 0.00 0.00 175.17 172.59 2diq s LEU 65 N 7.49 4.29 -0.34 -1.34 1.43 -0.13 0.62 118.68 130.70 2diq s LEU 65 Ca 0.60 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2diq s LEU 65 Cb -0.13 -3.20 0.08 0.00 0.03 0.00 0.00 46.19 42.97 2diq s LEU 65 CO 0.23 0.09 0.07 -0.47 0.23 0.00 0.00 176.35 176.49 2diq s TYR 66 N -1.59 3.43 -0.35 0.29 5.04 0.42 -0.02 117.35 124.56 2diq s TYR 66 Ca 0.39 -2.19 -0.27 0.00 -2.44 0.00 0.00 57.07 52.55 2diq s TYR 66 Cb -0.12 -2.55 -0.06 0.00 0.35 0.00 0.00 41.96 39.57 2diq s TYR 66 CO 0.23 -0.88 2.31 -0.06 -1.34 0.00 0.00 175.55 175.81 2diq s PHE 67 N 1.17 1.12 -0.31 4.97 0.40 -0.43 0.91 117.98 125.82 2diq s PHE 67 Ca 0.01 1.02 0.19 0.00 -0.60 0.00 0.00 56.93 57.56 2diq s PHE 67 Cb -0.21 -3.77 0.20 0.00 0.51 0.00 0.00 43.02 39.76 2diq s PHE 67 CO -0.03 -3.35 1.50 -0.39 0.70 0.00 0.00 175.22 173.65 2diq h VAL 68 N 7.41 0.38 0.10 -0.44 -1.51 -1.79 0.61 116.25 121.01 2diq h VAL 68 Ca -0.33 -1.54 -0.26 0.00 -1.23 0.00 0.00 66.70 63.34 2diq h VAL 68 Cb 1.25 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 32.58 2diq h VAL 68 CO 1.05 0.22 -1.17 0.44 -1.23 0.00 0.00 177.57 176.88 2diq h ASP 69 N 0.00 0.39 0.00 4.19 3.32 -1.78 1.85 116.42 124.39 2diq h ASP 69 Ca -0.01 -0.40 -0.17 0.00 0.02 0.00 0.00 57.03 56.47 2diq h ASP 69 Cb 1.18 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 2diq h ASP 69 CO 0.03 1.29 -1.43 0.49 -1.72 0.00 0.00 179.24 177.90 2diq n PHE 70 N -3.55 0.00 0.00 4.55 3.01 -1.23 -2.99 117.46 117.25 2diq n PHE 70 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2diq n PHE 70 Cb 0.98 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 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 1.97 3.08 3.26 1.37 0.00 0.21 -4.73 105.19 110.34 2diq n GLY 71 Ca -0.25 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 -3.52 -4.38 1.61 2.03 -1.26 -4.50 116.55 106.54 2diq n ASP 72 Ca 0.00 -0.66 -0.32 0.00 0.52 0.00 0.00 54.79 54.33 2diq n ASP 72 Cb 0.00 -1.04 -0.15 0.00 -0.72 0.00 0.00 41.12 39.22 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 -2.78 3.56 0.51 1.67 -0.87 -1.26 -1.31 114.94 114.46 2diq s ASN 73 Ca 0.65 -0.35 0.00 0.00 -1.57 0.00 0.00 52.86 51.59 2diq s ASN 73 Cb -0.15 -0.76 0.00 0.00 -0.02 0.00 0.00 41.25 40.32 2diq s ASN 73 CO 0.57 0.30 0.00 0.61 -2.57 0.00 0.00 177.10 176.02 2diq n GLY 74 N 2.57 3.57 3.64 0.66 0.00 0.97 -4.94 105.19 111.65 2diq n GLY 74 Ca -0.17 -2.37 -0.06 0.00 0.00 0.00 0.00 46.02 43.41 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 -3.78 -0.95 0.07 1.61 1.47 -1.26 -0.95 116.67 112.88 2diq s ASP 75 Ca 0.00 1.50 -0.26 0.00 1.18 0.00 0.00 52.55 54.97 2diq s ASP 75 Cb -0.00 1.44 0.08 0.00 -0.34 0.00 0.00 42.92 44.10 2diq s ASP 75 CO 0.00 -0.23 0.72 0.00 0.68 0.00 0.00 175.17 176.33 2diq s PRO 77 N -3.16 4.45 0.29 0.00 0.04 -1.26 -1.11 135.00 134.24 2diq s PRO 77 Ca 0.01 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.14 2diq s PRO 77 Cb -0.01 -3.13 0.70 0.00 0.04 0.00 0.00 34.50 32.10 2diq s PRO 77 CO -0.09 -0.09 1.71 1.25 0.04 0.00 0.00 177.00 179.83 2diq h LEU 78 N 3.98 0.40 -1.63 -3.56 6.46 -1.95 0.41 115.31 119.41 2diq h LEU 78 Ca -0.47 0.14 0.15 0.00 -0.12 0.00 0.00 57.88 57.58 2diq h LEU 78 Cb 1.22 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.20 2diq h LEU 78 CO 0.69 0.05 0.49 0.07 -0.62 0.00 0.00 178.44 179.12 2diq h LYS 79 N 0.46 0.36 -0.86 1.25 5.09 -1.91 0.32 116.57 121.27 2diq h LYS 79 Ca 0.55 -0.02 -0.13 0.00 0.09 0.00 0.00 60.65 61.14 2diq h LYS 79 Cb 0.99 -0.08 -0.08 0.00 0.10 0.00 0.00 32.23 33.17 2diq h LYS 79 CO -0.49 0.24 0.16 -3.47 -2.09 0.00 0.00 179.45 173.80 2diq n ASP 80 N -4.47 3.63 -4.47 7.07 2.03 0.14 -4.04 116.55 116.46 2diq n ASP 80 Ca 0.14 -2.71 -0.28 0.00 0.52 0.00 0.00 54.79 52.46 2diq n ASP 80 Cb 0.54 -0.65 -0.11 0.00 -0.72 0.00 0.00 41.12 40.18 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 -1.74 2.62 -0.02 -2.67 1.43 0.11 -4.28 118.68 114.13 2diq s LEU 81 Ca 0.32 -0.66 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2diq s LEU 81 Cb 0.26 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2diq s LEU 81 CO 0.08 0.16 -0.12 -0.13 0.23 0.00 0.00 176.35 176.56 2diq s ARG 82 N -2.33 1.09 -0.31 1.70 1.81 -0.43 -4.09 118.95 116.39 2diq s ARG 82 Ca 0.19 -0.43 -0.28 0.00 -1.72 0.00 0.00 55.73 53.48 2diq s ARG 82 Cb -0.10 -1.03 -0.03 0.00 -0.45 0.00 0.00 34.95 33.35 2diq s ARG 82 CO 0.10 0.23 1.90 0.00 -0.68 0.00 0.00 175.30 176.85 2diq s ALA 83 N -0.15 2.81 -0.30 2.13 0.00 -1.26 -0.38 121.76 124.61 2diq s ALA 83 Ca 0.02 0.36 -0.35 0.00 0.00 0.00 0.00 51.96 51.99 2diq s ALA 83 Cb -0.06 -4.04 -0.11 0.00 0.00 0.00 0.00 23.12 18.91 2diq s ALA 83 CO -0.00 -2.71 2.13 -0.11 0.00 0.00 0.00 175.76 175.06 2diq n LEU 84 N 10.71 2.44 -4.63 0.00 7.94 -1.26 -4.88 117.00 127.32 2diq n LEU 84 Ca 0.25 0.50 -0.30 0.00 -1.11 0.00 0.00 56.01 55.35 2diq n LEU 84 Cb 0.47 -1.30 0.18 0.00 0.53 0.00 0.00 43.42 43.30 2diq n LEU 84 CO 0.68 -0.62 0.62 -0.13 -1.11 0.00 0.00 177.39 176.83 2diq s ARG 85 N 5.79 0.46 0.39 1.96 0.52 -1.26 -4.82 118.95 121.99 2diq s ARG 85 Ca 1.06 0.98 0.06 0.00 -0.52 0.00 0.00 55.73 57.31 2diq s ARG 85 Cb -0.79 -1.70 0.79 0.00 0.52 0.00 0.00 34.95 33.76 2diq s ARG 85 CO 0.49 -2.83 2.03 0.77 0.02 0.00 0.00 175.30 175.77 2diq h SER 86 N -1.99 0.52 -0.67 0.23 0.02 -1.98 -2.16 113.55 107.52 2diq h SER 86 Ca -0.52 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2diq h SER 86 Cb 1.30 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2diq h SER 86 CO 0.50 0.40 0.42 0.44 -1.14 0.00 0.00 176.83 177.46 2diq h ASP 87 N 0.60 0.79 1.15 3.07 5.19 -2.01 0.48 116.42 125.70 2diq h ASP 87 Ca 0.16 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 2diq h ASP 87 Cb -0.01 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.30 2diq h ASP 87 CO -0.03 0.60 -0.05 -0.26 -3.12 0.00 0.00 179.24 176.39 2diq h PHE 88 N 0.91 0.00 0.00 4.55 0.04 -1.75 -2.82 116.94 117.87 2diq h PHE 88 Ca 0.24 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 2diq h PHE 88 Cb -0.06 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 2diq h PHE 88 CO -0.02 0.05 -0.96 -0.07 -0.60 0.00 0.00 178.31 176.71 2diq h LEU 89 N 0.00 0.00 -1.64 1.54 3.38 -0.78 -3.34 115.31 114.46 2diq h LEU 89 Ca -0.00 0.00 0.51 0.00 0.09 0.00 0.00 57.88 58.48 2diq h LEU 89 Cb 0.64 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 2diq h LEU 89 CO 0.01 0.39 1.09 -1.28 0.09 0.00 0.00 178.44 178.73 2diq h SER 90 N 0.00 0.12 -3.23 -0.43 0.87 -0.67 -3.37 113.55 106.85 2diq h SER 90 Ca -0.07 0.09 -0.58 0.00 -1.23 0.00 0.00 61.79 60.00 2diq h SER 90 Cb 1.36 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.35 2diq h SER 90 CO 0.04 -0.14 -0.10 -0.22 -0.53 0.00 0.00 176.83 175.88 2diq s LEU 91 N -8.83 4.41 0.95 2.23 0.20 -1.26 -5.07 118.68 111.31 2diq s LEU 91 Ca -0.06 1.04 -0.12 0.00 0.69 0.00 0.00 54.13 55.67 2diq s LEU 91 Cb 0.29 -2.77 0.16 0.00 -0.43 0.00 0.00 46.19 43.44 2diq s LEU 91 CO 0.85 0.16 1.09 -2.16 -0.29 0.00 0.00 176.35 176.01 2diq s PRO 92 N -0.35 0.85 -0.27 0.98 0.04 -1.26 -4.94 135.00 130.05 2diq s PRO 92 Ca 0.27 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.70 2diq s PRO 92 Cb -0.17 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2diq s PRO 92 CO 0.15 -2.49 1.56 -0.06 0.04 0.00 0.00 177.00 176.20 2diq s PHE 93 N -2.95 2.21 0.05 0.56 0.08 -1.26 -4.90 117.98 111.77 2diq s PHE 93 Ca 0.64 0.63 -0.23 0.00 0.12 0.00 0.00 56.93 58.08 2diq s PHE 93 Cb -0.18 -4.02 -0.16 0.00 -0.57 0.00 0.00 43.02 38.09 2diq s PHE 93 CO 0.57 -2.62 1.53 1.96 -0.10 0.00 0.00 175.22 176.57 2diq h GLN 94 N 10.69 0.07 -5.32 0.44 1.08 -1.79 -3.41 115.11 116.87 2diq h GLN 94 Ca -0.32 -0.02 -0.61 0.00 -1.45 0.00 0.00 58.65 56.26 2diq h GLN 94 Cb 1.14 -0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 28.43 2diq h GLN 94 CO 1.02 0.27 -0.18 0.00 -0.95 0.00 0.00 178.83 178.99 2diq s ALA 95 N -5.29 3.57 -0.02 3.87 0.00 0.63 -4.95 121.76 119.56 2diq s ALA 95 Ca -0.14 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2diq s ALA 95 Cb 0.05 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2diq s ALA 95 CO 0.68 -0.48 0.21 0.42 0.00 0.00 0.00 175.76 176.58 2diq s ILE 96 N 1.71 5.40 0.64 0.00 -1.09 -1.26 -4.43 121.20 122.16 2diq s ILE 96 Ca 0.18 0.03 -0.16 0.00 -2.23 0.00 0.00 60.65 58.47 2diq s ILE 96 Cb -0.15 -3.53 -0.14 0.00 -1.58 0.00 0.00 42.46 37.06 2diq s ILE 96 CO 0.09 0.39 -0.35 1.21 -1.23 0.00 0.00 174.94 175.05 2diq n GLU 97 N 1.20 0.00 -0.27 2.79 2.13 -1.26 -4.68 120.64 120.54 2diq n GLU 97 Ca -0.13 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.81 2diq n GLU 97 Cb 0.53 -0.92 0.23 0.00 0.27 0.00 0.00 31.44 31.55 2diq n GLU 97 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2diq n SER 99 N -5.12 0.13 -4.56 0.00 7.64 -1.26 -4.75 113.62 105.70 2diq n SER 99 Ca 0.18 1.13 -0.47 0.00 1.01 0.00 0.00 58.87 60.72 2diq n SER 99 Cb 0.60 -0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 2diq n SER 99 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2diq n LEU 100 N 1.74 1.34 -3.69 -3.43 7.99 -1.26 -4.98 117.00 114.71 2diq n LEU 100 Ca 0.21 1.16 -0.18 0.00 -0.01 0.00 0.00 56.01 57.19 2diq n LEU 100 Cb 0.06 -1.22 -0.17 0.00 -0.11 0.00 0.00 43.42 41.99 2diq n LEU 100 CO 0.62 -1.52 -0.30 0.00 -1.51 0.00 0.00 177.39 174.69 2diq s ALA 101 N -0.63 0.03 0.10 -1.18 0.00 -1.26 -5.09 121.76 113.73 2diq s ALA 101 Ca 0.66 0.38 -0.36 0.00 0.00 0.00 0.00 51.96 52.64 2diq s ALA 101 Cb -0.80 -0.62 -0.17 0.00 0.00 0.00 0.00 23.12 21.54 2diq s ALA 101 CO 0.56 -0.43 1.30 2.89 0.00 0.00 0.00 175.76 180.08 2diq n ARG 102 N 5.05 1.12 -3.17 0.00 1.85 -1.26 -4.95 116.66 115.30 2diq n ARG 102 Ca -0.09 0.40 -0.28 0.00 -1.00 0.00 0.00 57.85 56.88 2diq n ARG 102 Cb 0.50 -2.01 -0.02 0.00 -1.05 0.00 0.00 32.46 29.87 2diq n ARG 102 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2diq s ILE 103 N 0.33 4.99 0.05 8.89 -0.00 -1.26 -5.10 121.20 129.11 2diq s ILE 103 Ca 0.82 0.07 0.03 0.00 -0.00 0.00 0.00 60.65 61.57 2diq s ILE 103 Cb -0.94 -3.77 -0.04 0.00 -0.00 0.00 0.00 42.46 37.71 2diq s ILE 103 CO 0.48 -0.47 0.03 0.00 -0.00 0.00 0.00 174.94 174.99 2diq s ALA 104 N -2.26 3.41 0.07 2.27 0.00 -1.26 -5.03 121.76 118.95 2diq s ALA 104 Ca 0.45 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2diq s ALA 104 Cb -0.10 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.67 2diq s ALA 104 CO 0.33 0.70 0.00 0.43 0.00 0.00 0.00 175.76 177.23 2diq n SER 105 N 0.80 0.74 0.00 0.00 7.64 -1.26 -5.16 113.62 116.38 2diq n SER 105 Ca -0.11 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2diq n SER 105 Cb 0.52 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2diq n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2diq n GLY 106 N 3.31 -0.08 3.77 0.23 0.00 -1.26 -5.04 105.19 106.13 2diq n GLY 106 Ca 0.00 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 2diq n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diq s PRO 107 N 0.00 3.63 0.77 1.61 0.04 -1.26 -4.98 135.00 134.82 2diq s PRO 107 Ca 0.00 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 2diq s PRO 107 Cb 0.00 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 2diq s PRO 107 CO 0.00 -0.64 0.49 -1.13 0.04 0.00 0.00 177.00 175.76 2diq n SER 108 N -0.73 -1.42 0.10 6.66 3.41 -1.26 -4.89 113.62 115.49 2diq n SER 108 Ca 0.09 0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 59.09 2diq n SER 108 Cb 0.49 -1.21 -0.07 0.00 -0.26 0.00 0.00 64.21 63.15 2diq n SER 108 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2diq h SER 109 N -0.61 -1.29 0.00 4.04 0.87 -2.01 -3.56 113.55 110.98 2diq h SER 109 Ca -0.45 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2diq h SER 109 Cb 1.33 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 2diq h SER 109 CO 0.41 -0.49 0.00 0.61 -0.53 0.00 0.00 176.83 176.83