#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 1.97 -2.43 1.61 7.64 -1.26 -5.02 113.62 116.13 2diq n SER 2 Ca 0.00 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 2diq n SER 2 Cb 0.00 -0.78 0.05 0.00 -1.01 0.00 0.00 64.21 62.47 2diq n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2diq n SER 3 N -3.96 -3.59 0.05 6.43 2.88 -1.26 -4.88 113.62 109.29 2diq n SER 3 Ca -0.43 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 2diq n SER 3 Cb 0.88 -3.29 0.00 0.00 -0.75 0.00 0.00 64.21 61.06 2diq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2diq n GLY 4 N -1.28 -1.19 0.35 0.46 0.00 -1.26 -4.78 105.19 97.49 2diq n GLY 4 Ca -0.07 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2diq n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2diq h SER 5 N 0.00 -0.99 0.04 1.61 0.02 -2.03 -3.26 113.55 108.95 2diq h SER 5 Ca 0.00 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2diq h SER 5 Cb 0.00 0.38 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2diq h SER 5 CO 0.00 -0.41 -0.02 0.77 -1.14 0.00 0.00 176.83 176.03 2diq h SER 6 N -0.53 -0.04 0.00 3.07 4.64 -1.98 -3.48 113.55 115.23 2diq h SER 6 Ca 0.04 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2diq h SER 6 Cb 0.58 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2diq h SER 6 CO -0.23 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 2diq n GLY 7 N 1.48 2.03 3.62 -0.77 0.00 -1.23 -4.54 105.19 105.78 2diq n GLY 7 Ca -0.05 -0.24 -0.46 0.00 0.00 0.00 0.00 46.02 45.26 2diq n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2diq n ARG 8 N 14.00 1.55 -1.83 1.61 1.74 -1.26 -4.88 116.66 127.60 2diq n ARG 8 Ca 0.00 0.55 -0.41 0.00 -0.77 0.00 0.00 57.85 57.22 2diq n ARG 8 Cb 0.00 -2.08 -0.00 0.00 -1.02 0.00 0.00 32.46 29.36 2diq n ARG 8 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2diq s SER 9 N -0.04 6.37 0.18 0.55 0.01 -1.26 -4.63 113.70 114.88 2diq s SER 9 Ca 0.67 3.03 -0.22 0.00 1.31 0.00 0.00 55.95 60.74 2diq s SER 9 Cb -0.74 -2.67 0.10 0.00 0.21 0.00 0.00 66.02 62.93 2diq s SER 9 CO 0.54 -0.85 1.59 -0.07 0.41 0.00 0.00 173.24 174.85 2diq h LEU 10 N 3.02 -1.12 -0.92 2.44 3.38 -1.89 0.44 115.31 120.65 2diq h LEU 10 Ca -0.51 0.21 0.18 0.00 0.09 0.00 0.00 57.88 57.85 2diq h LEU 10 Cb 1.24 0.55 -0.10 0.00 0.09 0.00 0.00 40.66 42.43 2diq h LEU 10 CO 0.64 -0.31 0.50 1.56 0.09 0.00 0.00 178.44 180.93 2diq h GLN 11 N -0.19 0.63 0.05 1.13 4.20 -1.99 0.14 115.11 119.08 2diq h GLN 11 Ca 0.21 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 2diq h GLN 11 Cb 0.54 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2diq h GLN 11 CO -0.62 0.42 -0.02 1.25 -0.67 0.00 0.00 178.83 179.18 2diq h LEU 12 N 0.65 -0.06 -1.16 1.46 5.85 -1.08 -2.17 115.31 118.80 2diq h LEU 12 Ca 0.53 0.00 0.43 0.00 0.84 0.00 0.00 57.88 59.68 2diq h LEU 12 Cb 0.82 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.71 2diq h LEU 12 CO -0.40 0.01 0.71 -0.67 -0.34 0.00 0.00 178.44 177.75 2diq n ASP 13 N -2.45 0.25 -0.04 1.25 -0.08 0.12 0.12 116.55 115.73 2diq n ASP 13 Ca -0.01 1.41 -0.14 0.00 -1.51 0.00 0.00 54.79 54.55 2diq n ASP 13 Cb 0.03 -0.69 -0.09 0.00 2.34 0.00 0.00 41.12 42.71 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 0.20 -0.58 -0.67 3.11 -1.03 -2.85 116.57 114.75 2diq h LYS 14 Ca 0.82 -0.13 -0.03 0.00 -2.81 0.00 0.00 60.65 58.51 2diq h LYS 14 Cb 2.46 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 33.68 2diq h LYS 14 CO -0.55 0.71 0.25 1.25 -2.81 0.00 0.00 179.45 178.30 2diq h LEU 15 N -0.29 0.75 -0.02 5.20 5.85 0.16 -2.60 115.31 124.36 2diq h LEU 15 Ca 0.00 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2diq h LEU 15 Cb 0.70 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2diq h LEU 15 CO 0.03 0.65 0.01 0.58 -0.34 0.00 0.00 178.44 179.37 2diq h VAL 16 N 0.82 1.04 0.23 1.05 2.07 -0.61 -2.46 116.25 118.39 2diq h VAL 16 Ca 0.20 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2diq h VAL 16 Cb 0.12 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2diq h VAL 16 CO -0.02 0.03 -0.28 -1.13 0.02 0.00 0.00 177.57 176.19 2diq h ASN 17 N -0.01 -0.77 -0.57 0.57 -0.73 -1.26 -1.75 115.58 111.06 2diq h ASN 17 Ca 0.01 0.08 0.10 0.00 1.87 0.00 0.00 56.30 58.36 2diq h ASN 17 Cb 0.04 0.27 -0.11 0.00 0.27 0.00 0.00 38.32 38.79 2diq h ASN 17 CO -0.00 -0.39 -0.31 -0.33 -0.37 0.00 0.00 177.43 176.03 2diq h GLU 18 N -0.56 -0.15 0.21 6.67 4.39 -1.41 -0.44 114.58 123.28 2diq h GLU 18 Ca 0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2diq h GLU 18 Cb 0.54 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2diq h GLU 18 CO -0.09 -0.10 -0.24 0.52 -1.16 0.00 0.00 179.01 177.94 2diq h MET 19 N -0.15 -0.44 0.00 2.33 2.86 -1.18 -1.85 114.93 116.51 2diq h MET 19 Ca 0.24 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2diq h MET 19 Cb 0.54 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2diq h MET 19 CO -0.66 -0.29 0.00 2.41 1.06 0.00 0.00 176.91 179.43 2diq n THR 20 N -3.80 0.00 -0.28 2.22 -1.04 -0.68 -0.39 114.28 110.31 2diq n THR 20 Ca -0.05 1.43 0.23 0.00 -2.04 0.00 0.00 64.05 63.62 2diq n THR 20 Cb 0.21 -2.03 0.43 0.00 -1.82 0.00 0.00 70.33 67.12 2diq n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2diq n GLN 21 N -2.54 -0.06 0.10 -2.82 1.13 -0.21 0.20 117.38 113.18 2diq n GLN 21 Ca 0.00 1.20 -0.04 0.00 -1.94 0.00 0.00 57.00 56.22 2diq n GLN 21 Cb 0.00 -2.08 -0.02 0.00 0.11 0.00 0.00 30.24 28.25 2diq n GLN 21 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2diq h HIS 22 N 0.00 -0.24 0.79 1.08 2.76 -0.02 -3.17 115.15 116.36 2diq h HIS 22 Ca 0.67 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.79 2diq h HIS 22 Cb 1.68 0.08 0.01 0.00 1.55 0.00 0.00 27.41 30.73 2diq h HIS 22 CO -0.12 -0.15 -0.38 1.88 -1.30 0.00 0.00 177.93 177.86 2diq h TYR 23 N -0.37 -0.99 -0.60 5.26 0.05 0.11 -2.95 116.97 117.49 2diq h TYR 23 Ca -0.03 -0.02 0.24 0.00 0.05 0.00 0.00 58.73 58.97 2diq h TYR 23 Cb 0.20 0.33 -0.11 0.00 1.01 0.00 0.00 36.73 38.16 2diq h TYR 23 CO 0.10 -0.60 0.29 -0.85 -1.05 0.00 0.00 178.16 176.05 2diq n GLU 24 N -5.51 -0.04 -2.16 4.88 0.28 0.53 0.22 120.64 118.85 2diq n GLU 24 Ca -0.14 0.84 -0.37 0.00 -0.16 0.00 0.00 57.16 57.33 2diq n GLU 24 Cb 0.43 -1.48 0.03 0.00 1.43 0.00 0.00 31.44 31.84 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 -4.40 6.79 -2.74 -1.84 3.02 -1.11 -4.97 115.26 110.02 2diq n ASN 25 Ca 0.22 -3.79 -0.13 0.00 -0.03 0.00 0.00 54.58 50.85 2diq n ASN 25 Cb 0.74 -0.93 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.47 -1.19 -4.84 6.41 7.64 0.61 -4.96 113.62 116.83 2diq n SER 26 Ca 0.49 -2.65 -0.28 0.00 1.01 0.00 0.00 58.87 57.44 2diq n SER 26 Cb 0.33 2.22 -0.05 0.00 -1.01 0.00 0.00 64.21 65.70 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 -2.76 4.79 -0.21 0.44 -7.23 -1.26 -5.03 120.40 109.14 2diq s VAL 27 Ca 0.25 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.33 2diq s VAL 27 Cb -0.01 -3.39 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 2diq s VAL 27 CO 0.18 0.01 1.60 -2.16 -0.31 0.00 0.00 175.10 174.42 2diq s PRO 28 N -2.80 3.84 -0.08 4.82 0.04 -1.26 -4.99 135.00 134.56 2diq s PRO 28 Ca 0.32 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 2diq s PRO 28 Cb -0.11 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 2diq s PRO 28 CO 0.25 -1.24 0.70 -1.21 0.04 0.00 0.00 177.00 175.54 2diq s GLU 29 N 4.58 4.42 -0.86 4.56 0.41 -1.26 -5.01 118.70 125.54 2diq s GLU 29 Ca 0.71 0.87 -0.21 0.00 -0.41 0.00 0.00 54.97 55.93 2diq s GLU 29 Cb -0.25 -3.46 0.10 0.00 -1.78 0.00 0.00 34.13 28.73 2diq s GLU 29 CO 0.29 0.02 1.13 -0.51 -0.49 0.00 0.00 175.26 175.70 2diq s ASP 30 N 0.84 6.46 0.15 -0.19 1.11 -1.26 -4.71 116.67 119.06 2diq s ASP 30 Ca 0.37 -1.59 0.11 0.00 0.18 0.00 0.00 52.55 51.62 2diq s ASP 30 Cb -0.17 -2.44 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 2diq s ASP 30 CO 0.17 -1.27 -0.26 -1.48 1.18 0.00 0.00 175.17 173.51 2diq s LEU 31 N 3.54 2.35 -0.40 1.23 2.34 -1.26 -5.11 118.68 121.38 2diq s LEU 31 Ca 0.32 -0.78 -0.22 0.00 0.06 0.00 0.00 54.13 53.51 2diq s LEU 31 Cb -0.08 -1.20 0.01 0.00 -0.56 0.00 0.00 46.19 44.37 2diq s LEU 31 CO -0.03 0.16 0.72 -0.89 -1.06 0.00 0.00 176.35 175.25 2diq s THR 32 N -1.23 4.77 0.09 5.48 2.01 -1.26 -5.01 115.64 120.49 2diq s THR 32 Ca 0.16 0.54 0.09 0.00 0.31 0.00 0.00 61.69 62.79 2diq s THR 32 Cb -0.09 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2diq s THR 32 CO 0.07 -0.51 -0.23 0.54 -0.69 0.00 0.00 174.62 173.80 2diq s VAL 33 N 3.00 2.45 0.07 3.82 0.11 -1.26 -5.14 120.40 123.44 2diq s VAL 33 Ca 0.27 -1.50 0.05 0.00 -2.93 0.00 0.00 61.98 57.87 2diq s VAL 33 Cb -0.13 -2.05 -0.03 0.00 -1.53 0.00 0.00 36.38 32.64 2diq s VAL 33 CO 0.18 0.21 -0.14 -1.00 -3.33 0.00 0.00 175.10 171.02 2diq s HIS 34 N -0.98 1.23 -0.44 1.54 3.76 -1.26 -5.07 115.29 114.07 2diq s HIS 34 Ca 0.14 -0.44 -0.42 0.00 -0.15 0.00 0.00 55.06 54.20 2diq s HIS 34 Cb -0.10 -0.70 -0.17 0.00 1.11 0.00 0.00 32.58 32.72 2diq s HIS 34 CO 0.06 0.06 2.00 1.55 -0.85 0.00 0.00 174.74 177.55 2diq n VAL 35 N 1.40 0.08 0.00 -0.90 3.14 -1.26 -1.67 118.33 119.12 2diq n VAL 35 Ca -0.21 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2diq n VAL 35 Cb 0.54 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 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 6.21 1.50 3.93 7.55 0.00 0.15 -4.91 105.19 119.62 2diq n GLY 36 Ca 0.44 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.97 5.26 -0.08 1.61 1.01 -0.67 -4.86 116.67 117.97 2diq s ASP 37 Ca 0.00 0.48 0.03 0.00 0.71 0.00 0.00 52.55 53.77 2diq s ASP 37 Cb 0.00 -1.34 -0.02 0.00 1.01 0.00 0.00 42.92 42.57 2diq s ASP 37 CO 0.00 -1.26 -0.18 -0.63 0.21 0.00 0.00 175.17 173.32 2diq s ILE 38 N -3.03 2.69 0.27 0.77 -1.09 -1.26 -2.17 121.20 117.37 2diq s ILE 38 Ca 0.56 -0.82 -0.14 0.00 -2.23 0.00 0.00 60.65 58.02 2diq s ILE 38 Cb -0.11 -2.06 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 2diq s ILE 38 CO 0.43 0.56 0.54 0.68 -1.23 0.00 0.00 174.94 175.93 2diq s VAL 39 N -0.10 0.00 -0.07 2.92 -7.23 -1.09 -4.30 120.40 110.53 2diq s VAL 39 Ca -0.03 -1.32 -0.04 0.00 -1.81 0.00 0.00 61.98 58.78 2diq s VAL 39 Cb -0.14 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2diq s VAL 39 CO 0.04 0.00 0.13 0.00 -0.31 0.00 0.00 175.10 174.96 2diq s ALA 40 N -3.87 3.79 -0.06 1.32 0.00 0.27 -1.93 121.76 121.28 2diq s ALA 40 Ca 0.20 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 2diq s ALA 40 Cb -0.02 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.28 2diq s ALA 40 CO 0.09 0.66 0.18 0.00 0.00 0.00 0.00 175.76 176.69 2diq s ALA 41 N -1.11 -0.44 0.80 0.00 0.00 -1.12 -0.94 121.76 118.96 2diq s ALA 41 Ca 0.19 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 2diq s ALA 41 Cb -0.12 -0.25 0.07 0.00 0.00 0.00 0.00 23.12 22.82 2diq s ALA 41 CO 0.09 -0.10 1.09 -1.25 0.00 0.00 0.00 175.76 175.59 2diq s PRO 42 N -0.07 2.03 -0.20 0.00 0.04 -1.26 -0.57 135.00 134.98 2diq s PRO 42 Ca -0.02 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.10 2diq s PRO 42 Cb -0.02 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 2diq s PRO 42 CO 0.00 -1.78 -0.10 -1.17 0.04 0.00 0.00 177.00 173.99 2diq s LEU 43 N -5.99 2.67 0.38 -3.56 2.96 0.32 -4.85 118.68 110.60 2diq s LEU 43 Ca 0.62 -0.45 0.28 0.00 -0.22 0.00 0.00 54.13 54.36 2diq s LEU 43 Cb -0.17 -1.65 1.15 0.00 0.50 0.00 0.00 46.19 46.02 2diq s LEU 43 CO 0.56 0.01 1.83 1.55 -1.32 0.00 0.00 176.35 178.98 2diq h PRO 44 N 7.85 0.00 0.00 0.98 0.13 -1.94 1.35 132.00 140.37 2diq h PRO 44 Ca -0.40 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.49 2diq h PRO 44 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2diq h PRO 44 CO 0.60 0.00 -1.29 0.25 -0.23 0.00 0.00 178.00 177.33 2diq n THR 45 N -2.58 1.54 -0.06 1.56 -2.24 -1.26 -4.63 114.28 106.61 2diq n THR 45 Ca 0.01 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 2diq n THR 45 Cb 0.25 -2.04 -0.13 0.00 -2.10 0.00 0.00 70.33 66.32 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 -4.42 2.03 -0.08 3.42 3.02 -1.21 -5.03 115.26 112.99 2diq n ASN 46 Ca -0.33 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2diq n ASN 46 Cb 0.69 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 1.85 0.97 3.29 7.41 0.00 0.46 -5.01 105.19 114.16 2diq n GLY 47 Ca -0.37 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.11 0.10 0.07 1.61 0.01 -1.23 -4.78 113.70 107.37 2diq s SER 48 Ca 0.00 -0.87 -0.21 0.00 1.31 0.00 0.00 55.95 56.17 2diq s SER 48 Cb 0.00 0.40 -0.07 0.00 0.21 0.00 0.00 66.02 66.56 2diq s SER 48 CO 0.00 -0.84 0.63 0.26 0.41 0.00 0.00 173.24 173.71 2diq s TRP 49 N -3.96 3.80 0.00 2.43 0.52 -1.26 0.12 118.94 120.59 2diq s TRP 49 Ca 0.16 1.35 0.00 0.00 0.02 0.00 0.00 56.10 57.63 2diq s TRP 49 Cb 0.04 -2.60 -0.00 0.00 -1.15 0.00 0.00 33.47 29.75 2diq s TRP 49 CO -0.02 0.50 -0.01 0.71 0.02 0.00 0.00 176.95 178.15 2diq s TYR 50 N -0.83 0.10 -0.01 -1.98 1.51 0.27 -4.59 117.35 111.82 2diq s TYR 50 Ca 0.32 -0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 56.00 2diq s TYR 50 Cb -0.20 -0.07 -0.08 0.00 -0.11 0.00 0.00 41.96 41.51 2diq s TYR 50 CO 0.20 -0.02 1.87 1.03 -1.11 0.00 0.00 175.55 177.52 2diq s ARG 51 N -0.20 4.12 0.15 -0.62 0.52 -1.26 -2.77 118.95 118.88 2diq s ARG 51 Ca -0.02 2.44 0.04 0.00 -0.52 0.00 0.00 55.73 57.67 2diq s ARG 51 Cb -0.02 -4.11 -0.04 0.00 0.52 0.00 0.00 34.95 31.30 2diq s ARG 51 CO -0.00 -0.96 -0.09 0.00 0.02 0.00 0.00 175.30 174.27 2diq s ALA 52 N 4.45 1.42 -0.17 2.13 0.00 -0.81 -2.10 121.76 126.67 2diq s ALA 52 Ca 0.84 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 2diq s ALA 52 Cb -0.39 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2diq s ALA 52 CO 0.37 -0.12 -0.04 0.50 0.00 0.00 0.00 175.76 176.47 2diq s ARG 53 N -3.76 3.58 0.04 0.00 3.52 0.22 -2.67 118.95 119.88 2diq s ARG 53 Ca 0.17 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 2diq s ARG 53 Cb 0.03 -2.94 -0.07 0.00 -1.56 0.00 0.00 34.95 30.41 2diq s ARG 53 CO 0.00 0.12 1.54 0.08 -0.81 0.00 0.00 175.30 176.22 2diq s VAL 54 N 0.69 3.34 -0.42 7.11 1.01 -0.92 0.14 120.40 131.34 2diq s VAL 54 Ca -0.02 0.76 0.12 0.00 0.00 0.00 0.00 61.98 62.84 2diq s VAL 54 Cb -0.14 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.60 2diq s VAL 54 CO 0.02 -0.00 0.44 0.18 0.00 0.00 0.00 175.10 175.74 2diq n LEU 55 N 5.45 0.41 0.00 3.92 4.77 0.18 0.30 117.00 132.03 2diq n LEU 55 Ca 0.15 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2diq n LEU 55 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2diq n LEU 55 CO 0.61 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2diq n GLY 56 N 1.40 0.15 3.17 -0.72 0.00 -1.25 -4.75 105.19 103.19 2diq n GLY 56 Ca 0.01 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.23 0.61 0.56 2.61 2.01 -1.26 -3.22 115.64 116.71 2diq s THR 57 Ca 0.00 -1.92 0.09 0.00 0.31 0.00 0.00 61.69 60.17 2diq s THR 57 Cb 0.00 -1.72 0.07 0.00 0.01 0.00 0.00 72.50 70.86 2diq s THR 57 CO 0.00 -0.84 0.70 -0.76 -0.69 0.00 0.00 174.62 173.03 2diq s LEU 58 N -3.04 3.06 0.38 4.42 1.43 0.11 -4.66 118.68 120.39 2diq s LEU 58 Ca 0.13 -0.90 0.18 0.00 -1.03 0.00 0.00 54.13 52.51 2diq s LEU 58 Cb 0.06 -1.61 0.76 0.00 0.03 0.00 0.00 46.19 45.43 2diq s LEU 58 CO -0.04 -1.25 1.79 -0.08 0.23 0.00 0.00 176.35 176.99 2diq h GLU 59 N 0.33 0.00 0.15 1.70 4.81 -2.03 -3.09 114.58 116.45 2diq h GLU 59 Ca -0.32 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.60 2diq h GLU 59 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2diq h GLU 59 CO 0.45 0.36 -1.55 -2.95 -0.73 0.00 0.00 179.01 174.58 2diq h ASN 60 N 0.00 0.48 0.00 1.04 7.08 -2.06 -3.48 115.58 118.63 2diq h ASN 60 Ca -0.00 -0.65 0.00 0.00 -3.08 0.00 0.00 56.30 52.57 2diq h ASN 60 Cb 0.79 -0.16 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 2diq h ASN 60 CO 0.05 1.53 0.00 0.61 -2.08 0.00 0.00 177.43 177.54 2diq n GLY 61 N 1.70 3.60 3.21 9.14 0.00 -1.17 -5.14 105.19 116.54 2diq n GLY 61 Ca -0.18 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.52 -4.48 1.61 4.13 -1.26 -4.25 115.26 108.49 2diq n ASN 62 Ca 0.00 -0.12 -0.34 0.00 1.68 0.00 0.00 54.58 55.80 2diq n ASN 62 Cb 0.00 -0.85 -0.12 0.00 -1.54 0.00 0.00 39.78 37.26 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 0.56 3.25 -0.60 3.41 1.43 -0.75 0.08 118.68 126.06 2diq s LEU 63 Ca 0.51 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 53.19 2diq s LEU 63 Cb -0.07 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2diq s LEU 63 CO 0.65 0.13 1.91 -0.62 0.23 0.00 0.00 176.35 178.64 2diq s ASP 64 N 0.63 5.20 0.17 2.29 -1.08 -1.20 -3.37 116.67 119.31 2diq s ASP 64 Ca -0.02 0.41 -0.06 0.00 -0.52 0.00 0.00 52.55 52.37 2diq s ASP 64 Cb -0.14 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 38.73 2diq s ASP 64 CO 0.02 -2.42 0.42 -0.76 0.52 0.00 0.00 175.17 172.96 2diq s LEU 65 N 9.34 4.24 -0.30 -1.34 1.43 -0.79 0.51 118.68 131.78 2diq s LEU 65 Ca 0.70 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 54.51 2diq s LEU 65 Cb -0.13 -3.41 0.08 0.00 0.03 0.00 0.00 46.19 42.75 2diq s LEU 65 CO 0.21 0.02 -0.03 -0.47 0.23 0.00 0.00 176.35 176.31 2diq s TYR 66 N -1.70 3.49 -0.50 0.29 5.04 0.37 -0.17 117.35 124.17 2diq s TYR 66 Ca 0.43 -2.60 -0.29 0.00 -2.44 0.00 0.00 57.07 52.17 2diq s TYR 66 Cb -0.12 -2.39 -0.10 0.00 0.35 0.00 0.00 41.96 39.70 2diq s TYR 66 CO 0.24 -0.91 2.39 1.19 -1.34 0.00 0.00 175.55 177.12 2diq n PHE 67 N 4.37 1.41 0.21 4.97 3.01 -0.35 0.73 117.46 131.81 2diq n PHE 67 Ca -0.06 0.15 0.10 0.00 1.01 0.00 0.00 57.45 58.65 2diq n PHE 67 Cb 0.42 -2.59 0.32 0.00 -0.01 0.00 0.00 39.48 37.61 2diq n PHE 67 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 2diq h VAL 68 N 7.56 0.39 0.12 -4.37 -1.51 -1.61 0.68 116.25 117.51 2diq h VAL 68 Ca -0.24 -1.25 -0.20 0.00 -1.23 0.00 0.00 66.70 63.77 2diq h VAL 68 Cb 1.28 1.94 0.01 0.00 -2.13 0.00 0.00 31.29 32.39 2diq h VAL 68 CO 1.14 0.19 -0.96 0.44 -1.23 0.00 0.00 177.57 177.15 2diq h ASP 69 N 0.00 0.40 0.00 4.19 3.32 -1.73 0.60 116.42 123.20 2diq h ASP 69 Ca -0.00 -0.91 -0.18 0.00 0.02 0.00 0.00 57.03 55.95 2diq h ASP 69 Cb 0.93 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 2diq h ASP 69 CO 0.03 1.44 -1.29 0.49 -1.72 0.00 0.00 179.24 178.18 2diq n PHE 70 N -4.10 0.62 0.00 4.55 3.01 -1.23 -3.33 117.46 116.98 2diq n PHE 70 Ca -0.17 0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2diq n PHE 70 Cb 0.82 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 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 1.45 1.95 3.22 1.37 0.00 0.24 -4.72 105.19 108.69 2diq n GLY 71 Ca -0.27 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 2diq n GLY 71 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2diq n ASP 72 N 0.00 -4.13 -4.44 1.61 5.68 -1.26 -4.49 116.55 109.53 2diq n ASP 72 Ca 0.00 -0.85 -0.32 0.00 -0.50 0.00 0.00 54.79 53.12 2diq n ASP 72 Cb 0.00 -1.01 -0.13 0.00 -1.14 0.00 0.00 41.12 38.83 2diq n ASP 72 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2diq s ASN 73 N -3.05 3.78 0.34 -1.12 -0.87 -1.26 -1.21 114.94 111.54 2diq s ASN 73 Ca 0.67 -0.31 0.01 0.00 -1.57 0.00 0.00 52.86 51.66 2diq s ASN 73 Cb -0.12 -0.68 -0.00 0.00 -0.02 0.00 0.00 41.25 40.42 2diq s ASN 73 CO 0.57 0.31 0.03 0.61 -2.57 0.00 0.00 177.10 176.05 2diq n GLY 74 N 2.11 3.68 3.64 0.66 0.00 0.76 -4.93 105.19 111.11 2diq n GLY 74 Ca -0.17 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.91 -0.87 -0.12 1.61 1.47 -1.26 -1.88 116.67 112.71 2diq s ASP 75 Ca 0.04 1.39 -0.30 0.00 1.18 0.00 0.00 52.55 54.86 2diq s ASP 75 Cb 0.00 1.40 0.12 0.00 -0.34 0.00 0.00 42.92 44.09 2diq s ASP 75 CO 0.03 -0.22 0.94 0.00 0.68 0.00 0.00 175.17 176.60 2diq s PRO 77 N -1.46 4.05 0.32 0.00 0.04 -1.26 -1.82 135.00 134.88 2diq s PRO 77 Ca -0.02 1.89 0.10 0.00 0.04 0.00 0.00 61.00 63.02 2diq s PRO 77 Cb -0.00 -2.70 0.97 0.00 0.04 0.00 0.00 34.50 32.81 2diq s PRO 77 CO 0.01 -0.34 1.64 1.25 0.04 0.00 0.00 177.00 179.60 2diq h LEU 78 N 2.66 0.26 -1.38 -3.56 6.46 -1.94 0.96 115.31 118.77 2diq h LEU 78 Ca -0.49 0.21 0.07 0.00 -0.12 0.00 0.00 57.88 57.55 2diq h LEU 78 Cb 1.24 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 41.34 2diq h LEU 78 CO 0.63 -0.19 0.49 0.07 -0.62 0.00 0.00 178.44 178.81 2diq h LYS 79 N 0.23 0.71 -0.46 1.25 5.09 -1.91 0.21 116.57 121.70 2diq h LYS 79 Ca 0.68 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 61.38 2diq h LYS 79 Cb 1.52 -0.16 0.00 0.00 0.10 0.00 0.00 32.23 33.69 2diq h LYS 79 CO -0.66 0.47 0.00 -0.25 -2.09 0.00 0.00 179.45 176.92 2diq n ASP 80 N -4.49 1.60 -4.62 7.07 8.00 0.33 -4.35 116.55 120.09 2diq n ASP 80 Ca 0.11 -2.10 -0.26 0.00 0.71 0.00 0.00 54.79 53.26 2diq n ASP 80 Cb 0.26 -0.29 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 2diq n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2diq s LEU 81 N -0.93 3.15 -0.02 0.64 1.43 0.73 -4.07 118.68 119.61 2diq s LEU 81 Ca 0.15 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2diq s LEU 81 Cb 0.09 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.54 2diq s LEU 81 CO 0.08 0.07 -0.05 -0.13 0.23 0.00 0.00 176.35 176.55 2diq s ARG 82 N -3.10 0.59 -0.42 1.70 1.81 -0.12 -4.21 118.95 115.21 2diq s ARG 82 Ca 0.28 -0.13 -0.27 0.00 -1.72 0.00 0.00 55.73 53.89 2diq s ARG 82 Cb -0.08 -0.61 -0.06 0.00 -0.45 0.00 0.00 34.95 33.75 2diq s ARG 82 CO 0.18 0.01 2.31 0.00 -0.68 0.00 0.00 175.30 177.12 2diq s ALA 83 N 0.42 1.99 -0.26 2.13 0.00 -1.26 -0.57 121.76 124.21 2diq s ALA 83 Ca -0.05 0.20 -0.36 0.00 0.00 0.00 0.00 51.96 51.75 2diq s ALA 83 Cb -0.09 -4.26 -0.12 0.00 0.00 0.00 0.00 23.12 18.65 2diq s ALA 83 CO -0.00 -3.93 2.02 -0.11 0.00 0.00 0.00 175.76 173.73 2diq n LEU 84 N 14.45 2.57 -4.56 0.00 7.94 -1.26 -4.87 117.00 131.26 2diq n LEU 84 Ca 0.34 0.69 -0.28 0.00 -1.11 0.00 0.00 56.01 55.64 2diq n LEU 84 Cb 0.52 -1.27 0.22 0.00 0.53 0.00 0.00 43.42 43.42 2diq n LEU 84 CO 0.70 -0.49 0.57 -0.13 -1.11 0.00 0.00 177.39 176.92 2diq s ARG 85 N 5.11 -0.42 0.07 1.96 3.00 -1.26 -4.84 118.95 122.57 2diq s ARG 85 Ca 1.03 0.71 -0.23 0.00 0.00 0.00 0.00 55.73 57.23 2diq s ARG 85 Cb -0.84 -1.62 -0.15 0.00 0.00 0.00 0.00 34.95 32.34 2diq s ARG 85 CO 0.53 -3.35 1.64 0.77 0.00 0.00 0.00 175.30 174.89 2diq h SER 86 N -2.35 0.04 -0.77 0.23 0.02 -1.98 -2.62 113.55 106.12 2diq h SER 86 Ca -0.59 -0.11 0.17 0.00 -0.84 0.00 0.00 61.79 60.42 2diq h SER 86 Cb 1.33 -0.01 -0.14 0.00 0.14 0.00 0.00 62.40 63.73 2diq h SER 86 CO 0.53 0.14 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.56 2diq h ASP 87 N -0.06 -0.42 0.51 3.07 1.82 -2.00 1.12 116.42 120.45 2diq h ASP 87 Ca 0.01 0.21 -0.03 0.00 -0.39 0.00 0.00 57.03 56.83 2diq h ASP 87 Cb 0.11 0.37 -0.00 0.00 0.68 0.00 0.00 39.33 40.49 2diq h ASP 87 CO -0.00 -0.20 -0.14 -0.26 -1.61 0.00 0.00 179.24 177.03 2diq h PHE 88 N 0.08 0.00 0.00 0.28 0.04 -1.88 -1.73 116.94 113.73 2diq h PHE 88 Ca 0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.19 2diq h PHE 88 Cb 0.73 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.88 2diq h PHE 88 CO -0.46 0.14 -0.49 1.28 -0.60 0.00 0.00 178.31 178.18 2diq n LEU 89 N -3.54 0.57 -0.07 1.54 4.77 0.35 -3.93 117.00 116.67 2diq n LEU 89 Ca -0.01 0.19 0.23 0.00 -0.03 0.00 0.00 56.01 56.39 2diq n LEU 89 Cb 0.28 -0.24 0.70 0.00 -2.33 0.00 0.00 43.42 41.82 2diq n LEU 89 CO 0.30 0.01 1.21 -1.28 -1.33 0.00 0.00 177.39 176.31 2diq h SER 90 N 0.00 0.01 -3.29 -1.43 0.87 0.40 -3.40 113.55 106.72 2diq h SER 90 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 2diq h SER 90 Cb 0.64 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.54 2diq h SER 90 CO 0.00 0.01 -0.03 -0.22 -0.53 0.00 0.00 176.83 176.06 2diq s LEU 91 N -8.69 4.42 0.71 2.23 0.20 -1.25 -5.06 118.68 111.24 2diq s LEU 91 Ca -0.05 1.15 -0.13 0.00 0.69 0.00 0.00 54.13 55.78 2diq s LEU 91 Cb 0.20 -2.90 0.02 0.00 -0.43 0.00 0.00 46.19 43.09 2diq s LEU 91 CO 0.75 0.12 1.10 -2.16 -0.29 0.00 0.00 176.35 175.87 2diq s PRO 92 N -0.27 2.56 -0.10 0.98 0.04 -1.26 -4.94 135.00 132.02 2diq s PRO 92 Ca 0.30 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 2diq s PRO 92 Cb -0.18 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2diq s PRO 92 CO 0.17 -1.43 1.81 -0.06 0.04 0.00 0.00 177.00 177.54 2diq s PHE 93 N -2.58 1.69 0.18 0.56 0.08 -1.26 -4.88 117.98 111.77 2diq s PHE 93 Ca 0.64 0.15 -0.06 0.00 0.12 0.00 0.00 56.93 57.78 2diq s PHE 93 Cb -0.19 -4.03 0.08 0.00 -0.57 0.00 0.00 43.02 38.31 2diq s PHE 93 CO 0.48 -4.13 1.53 1.96 -0.10 0.00 0.00 175.22 174.96 2diq h GLN 94 N 10.95 0.77 -3.72 0.44 1.08 -1.75 -3.40 115.11 119.47 2diq h GLN 94 Ca -0.41 -0.40 -0.58 0.00 -1.45 0.00 0.00 58.65 55.81 2diq h GLN 94 Cb 1.20 0.01 -0.40 0.00 -0.05 0.00 0.00 27.48 28.24 2diq h GLN 94 CO 0.96 1.02 -0.76 0.00 -0.95 0.00 0.00 178.83 179.11 2diq s ALA 95 N -4.33 1.60 0.24 3.87 0.00 0.21 -4.99 121.76 118.36 2diq s ALA 95 Ca -0.09 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.31 2diq s ALA 95 Cb 0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2diq s ALA 95 CO 0.85 -1.54 0.44 0.42 0.00 0.00 0.00 175.76 175.94 2diq s ILE 96 N 1.58 5.16 0.86 0.00 1.09 -1.26 -4.21 121.20 124.42 2diq s ILE 96 Ca 0.06 -0.34 -0.13 0.00 -1.10 0.00 0.00 60.65 59.14 2diq s ILE 96 Cb -0.18 -3.76 0.21 0.00 -1.06 0.00 0.00 42.46 37.67 2diq s ILE 96 CO -0.19 -0.27 0.46 -1.84 -0.10 0.00 0.00 174.94 173.00 2diq n GLU 97 N -0.94 -2.75 -3.32 2.79 0.00 -1.26 -4.25 120.64 110.92 2diq n GLU 97 Ca -0.04 -0.78 -0.18 0.00 0.00 0.00 0.00 57.16 56.16 2diq n GLU 97 Cb 0.54 -1.15 0.06 0.00 0.00 0.00 0.00 31.44 30.89 2diq n GLU 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2diq s SER 99 N -3.32 5.29 -0.37 0.00 0.01 -1.26 -5.00 113.70 109.05 2diq s SER 99 Ca 0.41 -0.55 -0.34 0.00 1.31 0.00 0.00 55.95 56.77 2diq s SER 99 Cb -0.18 -0.82 -0.15 0.00 0.21 0.00 0.00 66.02 65.08 2diq s SER 99 CO 0.56 -0.50 1.26 0.18 0.41 0.00 0.00 173.24 175.14 2diq n LEU 100 N -1.50 0.82 -4.59 2.44 4.32 -1.26 -4.79 117.00 112.45 2diq n LEU 100 Ca 0.01 0.80 -0.42 0.00 -0.02 0.00 0.00 56.01 56.38 2diq n LEU 100 Cb 0.60 -0.65 -0.02 0.00 -1.62 0.00 0.00 43.42 41.73 2diq n LEU 100 CO 0.42 -0.61 1.14 0.00 -1.22 0.00 0.00 177.39 177.13 2diq s ALA 101 N 2.65 3.00 0.29 -1.18 0.00 -1.26 -4.98 121.76 120.28 2diq s ALA 101 Ca 0.79 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.21 2diq s ALA 101 Cb -1.10 -4.00 -0.04 0.00 0.00 0.00 0.00 23.12 17.97 2diq s ALA 101 CO 0.58 -2.58 0.14 0.50 0.00 0.00 0.00 175.76 174.40 2diq s ARG 102 N 4.97 1.54 -1.06 0.00 3.52 -1.26 -4.89 118.95 121.77 2diq s ARG 102 Ca 0.50 -1.87 -0.13 0.00 -0.13 0.00 0.00 55.73 54.11 2diq s ARG 102 Cb -0.09 -0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.17 2diq s ARG 102 CO 0.28 -0.41 0.24 -0.89 -0.81 0.00 0.00 175.30 173.72 2diq n ILE 103 N -0.55 -1.33 -3.31 4.11 -0.00 -1.26 -4.87 119.36 112.16 2diq n ILE 103 Ca 0.01 -0.41 -0.38 0.00 -0.00 0.00 0.00 62.75 61.96 2diq n ILE 103 Cb 0.65 -1.19 -0.06 0.00 -0.00 0.00 0.00 39.64 39.05 2diq n ILE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2diq s ALA 104 N -3.97 3.53 0.79 -1.39 0.00 -1.26 -5.08 121.76 114.38 2diq s ALA 104 Ca 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 2diq s ALA 104 Cb -0.10 -2.63 0.12 0.00 0.00 0.00 0.00 23.12 20.51 2diq s ALA 104 CO 0.75 0.19 1.11 -1.54 0.00 0.00 0.00 175.76 176.27 2diq s SER 105 N -0.15 4.16 0.01 0.00 1.04 -1.26 -5.11 113.70 112.39 2diq s SER 105 Ca 0.28 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2diq s SER 105 Cb -0.17 -0.59 -0.01 0.00 0.10 0.00 0.00 66.02 65.34 2diq s SER 105 CO 0.14 -2.03 -0.02 -0.83 0.98 0.00 0.00 173.24 171.48 2diq s GLY 106 N -4.69 0.14 -0.02 7.32 0.00 -1.26 -5.13 107.32 103.69 2diq s GLY 106 Ca 0.66 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.74 2diq s GLY 106 CO 0.47 -0.38 1.46 2.56 0.00 0.00 0.00 173.10 177.22 2diq s PRO 107 N -0.83 4.25 0.33 2.90 0.04 -1.26 -5.02 135.00 135.40 2diq s PRO 107 Ca -0.09 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2diq s PRO 107 Cb -0.06 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2diq s PRO 107 CO -0.01 -0.66 0.22 -1.12 0.04 0.00 0.00 177.00 175.48 2diq s SER 108 N 2.22 5.08 0.10 6.66 0.01 -1.26 -5.14 113.70 121.37 2diq s SER 108 Ca 0.66 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 57.42 2diq s SER 108 Cb -0.32 -0.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.95 2diq s SER 108 CO 0.26 -0.29 -0.17 -0.55 0.41 0.00 0.00 173.24 172.91 2diq s SER 109 N -3.92 2.07 0.00 2.44 0.15 -1.26 -5.36 113.70 107.83 2diq s SER 109 Ca 0.39 -0.69 0.26 0.00 0.70 0.00 0.00 55.95 56.61 2diq s SER 109 Cb -0.05 -0.09 0.65 0.00 -1.71 0.00 0.00 66.02 64.82 2diq s SER 109 CO 0.25 -0.04 1.52 0.61 1.20 0.00 0.00 173.24 176.78