#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diq s SER 2 N 0.00 7.20 -0.24 1.61 0.15 -1.26 -4.95 113.70 116.21 2diq s SER 2 Ca 0.00 1.95 -0.15 0.00 0.70 0.00 0.00 55.95 58.45 2diq s SER 2 Cb 0.00 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.63 2diq s SER 2 CO 0.00 -0.35 -0.35 -1.20 1.20 0.00 0.00 173.24 172.54 2diq n SER 3 N 3.50 1.92 0.00 5.45 7.64 -1.26 -5.04 113.62 125.83 2diq n SER 3 Ca 0.07 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2diq n SER 3 Cb 0.47 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2diq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2diq n GLY 4 N 1.35 -0.24 3.32 0.23 0.00 -1.26 -5.17 105.19 103.42 2diq n GLY 4 Ca -0.42 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 2diq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diq s SER 5 N -0.06 -0.27 -0.46 1.61 0.01 -1.26 -5.13 113.70 108.15 2diq s SER 5 Ca 0.00 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2diq s SER 5 Cb 0.00 0.45 0.12 0.00 0.21 0.00 0.00 66.02 66.80 2diq s SER 5 CO 0.00 -0.74 0.23 -0.44 0.41 0.00 0.00 173.24 172.69 2diq s SER 6 N -2.33 4.92 0.00 2.44 0.01 -1.26 -5.09 113.70 112.39 2diq s SER 6 Ca -0.02 -2.45 0.00 0.00 1.31 0.00 0.00 55.95 54.79 2diq s SER 6 Cb 0.00 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.49 2diq s SER 6 CO -0.06 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2diq n GLY 7 N 3.95 -2.51 3.43 3.44 0.00 -1.26 -4.97 105.19 107.27 2diq n GLY 7 Ca 0.03 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 2diq n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2diq n ARG 8 N 0.00 -1.45 -2.35 1.61 1.85 -1.26 -4.94 116.66 110.12 2diq n ARG 8 Ca 0.00 -0.39 -0.36 0.00 -1.00 0.00 0.00 57.85 56.11 2diq n ARG 8 Cb 0.00 -2.00 -0.01 0.00 -1.05 0.00 0.00 32.46 29.40 2diq n ARG 8 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2diq s SER 9 N -2.19 6.11 0.08 2.89 0.01 -1.26 -4.92 113.70 114.42 2diq s SER 9 Ca 0.62 2.14 -0.22 0.00 1.31 0.00 0.00 55.95 59.81 2diq s SER 9 Cb -0.20 -2.58 -0.12 0.00 0.21 0.00 0.00 66.02 63.32 2diq s SER 9 CO 0.65 -0.95 1.61 -0.07 0.41 0.00 0.00 173.24 174.89 2diq h LEU 10 N 1.68 0.15 -1.92 2.44 3.38 -2.00 -2.05 115.31 116.99 2diq h LEU 10 Ca -0.49 -0.16 0.18 0.00 0.09 0.00 0.00 57.88 57.50 2diq h LEU 10 Cb 1.24 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2diq h LEU 10 CO 0.59 0.27 0.48 1.56 0.09 0.00 0.00 178.44 181.42 2diq h GLN 11 N 0.02 0.08 0.12 1.13 4.20 -1.99 -1.04 115.11 117.63 2diq h GLN 11 Ca 0.04 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2diq h GLN 11 Cb 0.17 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2diq h GLN 11 CO -0.00 0.05 -0.06 1.25 -0.67 0.00 0.00 178.83 179.40 2diq h LEU 12 N 0.08 -0.14 -1.14 1.46 5.85 -1.84 -2.83 115.31 116.75 2diq h LEU 12 Ca 0.32 0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.39 2diq h LEU 12 Cb 1.17 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.10 2diq h LEU 12 CO -0.03 0.08 0.64 -0.78 -0.34 0.00 0.00 178.44 178.01 2diq h ASP 13 N -0.53 0.44 -0.46 1.25 3.58 -1.14 0.89 116.42 120.44 2diq h ASP 13 Ca -0.02 0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.51 2diq h ASP 13 Cb 0.13 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2diq h ASP 13 CO 0.03 -0.13 -0.03 0.50 -2.88 0.00 0.00 179.24 176.73 2diq h LYS 14 N 0.27 0.90 -0.20 0.28 3.11 -1.29 -2.33 116.57 117.32 2diq h LYS 14 Ca 0.74 -0.28 -0.13 0.00 -2.81 0.00 0.00 60.65 58.17 2diq h LYS 14 Cb 1.87 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 33.00 2diq h LYS 14 CO -0.53 0.92 -0.42 1.25 -2.81 0.00 0.00 179.45 177.86 2diq h LEU 15 N 0.83 0.51 0.29 5.20 5.85 1.00 -2.90 115.31 126.08 2diq h LEU 15 Ca 0.15 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2diq h LEU 15 Cb 0.54 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2diq h LEU 15 CO 0.03 0.87 -0.14 0.58 -0.34 0.00 0.00 178.44 179.44 2diq h VAL 16 N 0.40 0.75 -0.22 1.05 2.07 -0.89 -2.38 116.25 117.02 2diq h VAL 16 Ca 0.03 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.17 2diq h VAL 16 Cb 0.91 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 2diq h VAL 16 CO 0.08 0.09 -0.26 -1.13 0.02 0.00 0.00 177.57 176.37 2diq h ASN 17 N -0.63 -0.83 0.10 0.57 -1.24 -1.45 -1.01 115.58 111.09 2diq h ASN 17 Ca -0.04 0.14 0.01 0.00 0.71 0.00 0.00 56.30 57.12 2diq h ASN 17 Cb 0.45 0.38 -0.05 0.00 0.73 0.00 0.00 38.32 39.83 2diq h ASN 17 CO 0.07 -0.30 -0.51 -0.33 -1.29 0.00 0.00 177.43 175.07 2diq h GLU 18 N -0.28 -0.69 -0.01 6.67 4.39 -1.53 -0.56 114.58 122.58 2diq h GLU 18 Ca 0.13 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2diq h GLU 18 Cb 0.48 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2diq h GLU 18 CO -0.38 -0.46 -0.05 0.52 -1.16 0.00 0.00 179.01 177.48 2diq h MET 19 N -0.71 -0.05 0.00 2.33 2.86 -1.10 -2.41 114.93 115.85 2diq h MET 19 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2diq h MET 19 Cb 0.72 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2diq h MET 19 CO -0.29 -0.03 0.00 2.41 1.06 0.00 0.00 176.91 180.06 2diq n THR 20 N -2.83 0.00 -0.36 2.22 -1.04 -0.41 0.35 114.28 112.20 2diq n THR 20 Ca -0.01 1.46 0.30 0.00 -2.04 0.00 0.00 64.05 63.76 2diq n THR 20 Cb 0.03 -2.00 0.48 0.00 -1.82 0.00 0.00 70.33 67.03 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 -2.78 -0.02 -0.04 -2.82 6.02 -0.22 0.66 117.38 118.17 2diq n GLN 21 Ca 0.00 0.82 -0.01 0.00 -0.01 0.00 0.00 57.00 57.80 2diq n GLN 21 Cb 0.00 -1.68 -0.00 0.00 1.02 0.00 0.00 30.24 29.58 2diq n GLN 21 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2diq h HIS 22 N 0.00 0.00 0.69 1.08 2.76 0.42 -3.34 115.15 116.75 2diq h HIS 22 Ca 0.61 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.75 2diq h HIS 22 Cb 2.09 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 31.04 2diq h HIS 22 CO -0.00 0.00 -0.50 1.88 -1.30 0.00 0.00 177.93 178.01 2diq h TYR 23 N -0.71 -1.35 -1.32 5.26 0.05 0.26 -2.02 116.97 117.14 2diq h TYR 23 Ca 0.00 -0.00 0.41 0.00 0.05 0.00 0.00 58.73 59.19 2diq h TYR 23 Cb 0.09 0.50 -0.08 0.00 1.01 0.00 0.00 36.73 38.24 2diq h TYR 23 CO -0.04 -0.71 0.91 -0.85 -1.05 0.00 0.00 178.16 176.42 2diq n GLU 24 N -5.61 -0.01 -2.14 4.88 0.28 0.21 0.21 120.64 118.46 2diq n GLU 24 Ca -0.14 0.90 -0.33 0.00 -0.16 0.00 0.00 57.16 57.44 2diq n GLU 24 Cb 0.49 -1.93 0.02 0.00 1.43 0.00 0.00 31.44 31.45 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 -3.85 6.11 -3.95 -1.84 3.02 -0.76 -5.00 115.26 108.98 2diq n ASN 25 Ca 0.33 -3.78 -0.13 0.00 -0.03 0.00 0.00 54.58 50.97 2diq n ASN 25 Cb 1.40 -0.74 -0.08 0.00 -0.61 0.00 0.00 39.78 39.75 2diq n ASN 25 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2diq s SER 26 N -2.40 0.42 0.21 6.41 0.01 0.57 -4.97 113.70 113.95 2diq s SER 26 Ca 0.51 -1.39 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 2diq s SER 26 Cb 0.42 0.47 -0.05 0.00 0.21 0.00 0.00 66.02 67.07 2diq s SER 26 CO -0.26 -0.96 0.44 0.68 0.41 0.00 0.00 173.24 173.55 2diq s VAL 27 N -3.93 5.11 -0.29 3.43 -7.23 -1.26 -5.03 120.40 111.20 2diq s VAL 27 Ca 0.36 -0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.22 2diq s VAL 27 Cb 0.04 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 2diq s VAL 27 CO 0.15 -0.12 1.66 -2.16 -0.31 0.00 0.00 175.10 174.32 2diq s PRO 28 N -3.08 3.57 0.05 4.82 0.04 -1.26 -4.99 135.00 134.14 2diq s PRO 28 Ca 0.42 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 2diq s PRO 28 Cb -0.11 -4.10 -0.06 0.00 0.04 0.00 0.00 34.50 30.26 2diq s PRO 28 CO 0.27 -1.57 0.61 -1.21 0.04 0.00 0.00 177.00 175.13 2diq s GLU 29 N 5.13 4.29 -0.69 4.56 0.41 -1.26 -5.02 118.70 126.12 2diq s GLU 29 Ca 0.74 0.79 -0.17 0.00 -0.41 0.00 0.00 54.97 55.92 2diq s GLU 29 Cb -0.22 -3.29 0.15 0.00 -1.78 0.00 0.00 34.13 28.99 2diq s GLU 29 CO 0.32 0.51 0.73 -0.51 -0.49 0.00 0.00 175.26 175.83 2diq s ASP 30 N -0.72 6.41 0.15 -0.19 1.01 -1.26 -4.71 116.67 117.37 2diq s ASP 30 Ca 0.31 -1.95 0.11 0.00 0.71 0.00 0.00 52.55 51.73 2diq s ASP 30 Cb -0.19 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 2diq s ASP 30 CO 0.19 -0.90 -0.25 -1.48 0.21 0.00 0.00 175.17 172.94 2diq s LEU 31 N 1.73 2.41 -0.52 1.23 2.34 -1.26 -5.09 118.68 119.52 2diq s LEU 31 Ca 0.14 -0.77 -0.27 0.00 0.06 0.00 0.00 54.13 53.28 2diq s LEU 31 Cb -0.19 -1.24 0.03 0.00 -0.56 0.00 0.00 46.19 44.23 2diq s LEU 31 CO -0.01 0.16 1.09 -0.89 -1.06 0.00 0.00 176.35 175.63 2diq s THR 32 N -1.30 4.22 -0.07 5.48 2.01 -1.26 -5.01 115.64 119.71 2diq s THR 32 Ca 0.17 0.91 0.04 0.00 0.31 0.00 0.00 61.69 63.12 2diq s THR 32 Cb -0.09 -4.60 -0.00 0.00 0.01 0.00 0.00 72.50 67.82 2diq s THR 32 CO 0.08 -1.09 -0.21 0.54 -0.69 0.00 0.00 174.62 173.25 2diq s VAL 33 N 4.40 1.75 0.19 3.82 0.11 -1.26 -5.12 120.40 124.30 2diq s VAL 33 Ca 0.42 -0.86 0.07 0.00 -2.93 0.00 0.00 61.98 58.68 2diq s VAL 33 Cb -0.08 -1.51 -0.05 0.00 -1.53 0.00 0.00 36.38 33.21 2diq s VAL 33 CO 0.27 0.49 -0.13 -1.00 -3.33 0.00 0.00 175.10 171.40 2diq s HIS 34 N 0.22 1.62 -0.45 1.54 3.76 -1.26 -5.03 115.29 115.69 2diq s HIS 34 Ca -0.11 -0.61 -0.42 0.00 -0.15 0.00 0.00 55.06 53.76 2diq s HIS 34 Cb -0.15 -0.77 -0.17 0.00 1.11 0.00 0.00 32.58 32.60 2diq s HIS 34 CO 0.05 0.30 2.05 1.55 -0.85 0.00 0.00 174.74 177.85 2diq n VAL 35 N -0.35 0.07 0.00 -0.90 3.14 -1.26 -0.92 118.33 118.12 2diq n VAL 35 Ca -0.08 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 2diq n VAL 35 Cb 0.60 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.55 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 6.56 1.75 3.84 7.55 0.00 0.92 -4.91 105.19 120.91 2diq n GLY 36 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.55 6.83 -0.17 1.61 1.01 -0.10 -4.85 116.67 119.46 2diq s ASP 37 Ca 0.00 1.26 -0.08 0.00 0.71 0.00 0.00 52.55 54.44 2diq s ASP 37 Cb 0.00 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 2diq s ASP 37 CO 0.00 -0.12 0.09 -0.63 0.21 0.00 0.00 175.17 174.73 2diq s ILE 38 N -1.83 5.07 0.29 0.77 -1.09 -1.26 -2.13 121.20 121.03 2diq s ILE 38 Ca 0.50 0.06 -0.15 0.00 -2.23 0.00 0.00 60.65 58.83 2diq s ILE 38 Cb -0.12 -3.27 0.01 0.00 -1.58 0.00 0.00 42.46 37.50 2diq s ILE 38 CO 0.19 0.50 0.61 0.68 -1.23 0.00 0.00 174.94 175.68 2diq s VAL 39 N -0.02 0.00 0.04 2.92 -7.23 -1.09 -4.41 120.40 110.61 2diq s VAL 39 Ca 0.08 -1.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2diq s VAL 39 Cb -0.12 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2diq s VAL 39 CO 0.00 0.00 0.18 0.00 -0.31 0.00 0.00 175.10 174.98 2diq s ALA 40 N -3.60 3.93 -0.17 1.32 0.00 -0.09 -1.67 121.76 121.49 2diq s ALA 40 Ca 0.19 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 2diq s ALA 40 Cb -0.03 -1.79 0.05 0.00 0.00 0.00 0.00 23.12 21.34 2diq s ALA 40 CO 0.10 0.80 0.47 0.00 0.00 0.00 0.00 175.76 177.13 2diq s ALA 41 N -1.44 -1.16 0.97 0.00 0.00 -1.14 -1.28 121.76 117.71 2diq s ALA 41 Ca 0.32 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 2diq s ALA 41 Cb -0.13 -0.72 0.17 0.00 0.00 0.00 0.00 23.12 22.45 2diq s ALA 41 CO 0.25 -0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.62 2diq s PRO 42 N 0.15 0.65 -0.14 0.00 0.04 -1.26 -0.86 135.00 133.59 2diq s PRO 42 Ca -0.01 0.60 0.01 0.00 0.04 0.00 0.00 61.00 61.64 2diq s PRO 42 Cb -0.03 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.77 2diq s PRO 42 CO 0.01 -2.60 -0.16 -1.17 0.04 0.00 0.00 177.00 173.12 2diq s LEU 43 N -6.40 1.78 0.23 -3.56 2.96 -0.39 -4.85 118.68 108.46 2diq s LEU 43 Ca 0.65 -0.49 0.22 0.00 -0.22 0.00 0.00 54.13 54.29 2diq s LEU 43 Cb -0.18 -1.20 0.94 0.00 0.50 0.00 0.00 46.19 46.24 2diq s LEU 43 CO 0.57 -0.01 1.68 -0.81 -1.32 0.00 0.00 176.35 176.46 2diq n PRO 44 N 4.50 0.17 -0.09 0.98 -0.04 -1.26 0.21 135.00 139.47 2diq n PRO 44 Ca -0.18 0.41 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 2diq n PRO 44 Cb 0.51 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 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 -2.15 1.59 -0.11 0.52 -2.24 -1.26 -4.67 114.28 105.96 2diq n THR 45 Ca 0.02 -0.44 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 2diq n THR 45 Cb 0.22 -1.74 -0.12 0.00 -2.10 0.00 0.00 70.33 66.59 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 -3.79 2.00 -0.22 3.42 5.15 -1.19 -5.04 115.26 115.58 2diq n ASN 46 Ca -0.41 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.58 2diq n ASN 46 Cb 0.92 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2diq n GLY 47 N 2.03 0.97 3.18 8.20 0.00 0.56 -4.99 105.19 115.14 2diq n GLY 47 Ca -0.44 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.42 0.02 0.14 1.61 0.01 -1.25 -4.78 113.70 107.03 2diq s SER 48 Ca 0.00 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.62 2diq s SER 48 Cb 0.00 0.29 -0.07 0.00 0.21 0.00 0.00 66.02 66.45 2diq s SER 48 CO 0.00 -0.55 0.91 0.26 0.41 0.00 0.00 173.24 174.26 2diq s TRP 49 N -2.53 3.86 -0.00 2.43 0.52 -1.26 -1.26 118.94 120.70 2diq s TRP 49 Ca -0.05 1.77 0.01 0.00 0.02 0.00 0.00 56.10 57.84 2diq s TRP 49 Cb -0.01 -2.97 0.00 0.00 -1.15 0.00 0.00 33.47 29.33 2diq s TRP 49 CO -0.04 0.31 -0.02 0.71 0.02 0.00 0.00 176.95 177.93 2diq s TYR 50 N -0.42 0.21 -0.19 -1.98 2.02 -0.04 -4.57 117.35 112.39 2diq s TYR 50 Ca 0.43 -0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.81 2diq s TYR 50 Cb -0.24 -0.15 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2diq s TYR 50 CO 0.29 -0.01 2.04 1.03 -1.57 0.00 0.00 175.55 177.33 2diq s ARG 51 N 0.02 3.41 0.29 -0.62 0.52 -1.26 -2.90 118.95 118.41 2diq s ARG 51 Ca 0.00 2.00 0.09 0.00 -0.52 0.00 0.00 55.73 57.30 2diq s ARG 51 Cb -0.02 -4.27 -0.06 0.00 0.52 0.00 0.00 34.95 31.12 2diq s ARG 51 CO -0.00 -1.78 -0.12 0.00 0.02 0.00 0.00 175.30 173.42 2diq s ALA 52 N 7.09 2.62 -0.19 2.13 0.00 -0.67 -2.56 121.76 130.17 2diq s ALA 52 Ca 0.92 -1.93 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2diq s ALA 52 Cb -0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2diq s ALA 52 CO 0.35 0.09 -0.09 0.50 0.00 0.00 0.00 175.76 176.62 2diq s ARG 53 N -3.62 3.32 0.22 0.00 3.52 0.14 -2.68 118.95 119.85 2diq s ARG 53 Ca 0.30 -0.67 -0.31 0.00 -0.13 0.00 0.00 55.73 54.92 2diq s ARG 53 Cb 0.00 -2.85 -0.11 0.00 -1.56 0.00 0.00 34.95 30.43 2diq s ARG 53 CO 0.14 -0.10 1.55 0.08 -0.81 0.00 0.00 175.30 176.15 2diq s VAL 54 N 1.19 2.46 -0.26 7.11 1.01 -0.90 0.13 120.40 131.13 2diq s VAL 54 Ca 0.02 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.43 2diq s VAL 54 Cb -0.14 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 32.91 2diq s VAL 54 CO -0.03 0.04 0.29 0.18 0.00 0.00 0.00 175.10 175.58 2diq n LEU 55 N 3.12 0.26 0.00 3.92 4.77 0.25 -0.05 117.00 129.26 2diq n LEU 55 Ca 0.11 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 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 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2diq n GLY 56 N 1.46 0.05 3.02 -0.72 0.00 -1.25 -4.68 105.19 103.06 2diq n GLY 56 Ca 0.01 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.90 0.51 0.60 2.61 2.01 -1.26 -3.46 115.64 114.76 2diq s THR 57 Ca 0.00 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 2diq s THR 57 Cb 0.00 -0.52 0.13 0.00 0.01 0.00 0.00 72.50 72.12 2diq s THR 57 CO 0.00 -0.16 0.82 0.18 -0.69 0.00 0.00 174.62 174.77 2diq n LEU 58 N 2.08 0.00 0.16 4.42 4.77 0.41 -4.84 117.00 124.01 2diq n LEU 58 Ca -0.19 -1.33 0.04 0.00 -0.03 0.00 0.00 56.01 54.50 2diq n LEU 58 Cb 0.56 -0.58 0.16 0.00 -2.33 0.00 0.00 43.42 41.23 2diq n LEU 58 CO 0.23 -0.99 0.56 -0.08 -1.33 0.00 0.00 177.39 175.78 2diq h GLU 59 N 0.00 0.00 0.17 3.23 4.57 -2.02 -3.27 114.58 117.27 2diq h GLU 59 Ca -0.27 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.57 2diq h GLU 59 Cb 0.87 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2diq h GLU 59 CO 0.24 0.44 -1.67 -2.95 -1.18 0.00 0.00 179.01 173.90 2diq h ASN 60 N 0.00 0.57 0.00 1.04 7.08 -2.06 -3.48 115.58 118.73 2diq h ASN 60 Ca -0.00 -0.81 0.00 0.00 -3.08 0.00 0.00 56.30 52.40 2diq h ASN 60 Cb 1.18 -0.19 0.00 0.00 -2.08 0.00 0.00 38.32 37.23 2diq h ASN 60 CO 0.06 1.68 0.00 0.61 -2.08 0.00 0.00 177.43 177.70 2diq n GLY 61 N 1.79 3.13 3.32 9.14 0.00 -1.23 -5.14 105.19 116.20 2diq n GLY 61 Ca -0.22 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.30 -4.49 1.61 4.13 -1.26 -4.38 115.26 108.58 2diq n ASN 62 Ca 0.00 0.04 -0.34 0.00 1.68 0.00 0.00 54.58 55.96 2diq n ASN 62 Cb 0.00 -1.04 -0.12 0.00 -1.54 0.00 0.00 39.78 37.08 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 -1.15 3.29 -0.48 3.41 1.43 -1.10 -0.45 118.68 123.63 2diq s LEU 63 Ca 0.56 -0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.24 2diq s LEU 63 Cb -0.15 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 2diq s LEU 63 CO 0.67 0.12 1.79 -0.62 0.23 0.00 0.00 176.35 178.54 2diq s ASP 64 N 0.64 5.61 0.06 2.29 -1.08 -1.22 -3.59 116.67 119.38 2diq s ASP 64 Ca -0.01 0.76 -0.05 0.00 -0.52 0.00 0.00 52.55 52.73 2diq s ASP 64 Cb -0.14 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 2diq s ASP 64 CO 0.02 -2.03 0.29 -0.76 0.52 0.00 0.00 175.17 173.21 2diq s LEU 65 N 7.89 4.34 -0.32 -1.34 1.43 0.13 0.84 118.68 131.65 2diq s LEU 65 Ca 0.71 0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 54.31 2diq s LEU 65 Cb -0.16 -2.92 0.07 0.00 0.03 0.00 0.00 46.19 43.21 2diq s LEU 65 CO 0.27 0.18 0.04 -0.47 0.23 0.00 0.00 176.35 176.59 2diq s TYR 66 N -1.45 3.43 -0.67 0.29 5.04 0.34 0.08 117.35 124.41 2diq s TYR 66 Ca 0.33 -2.28 -0.25 0.00 -2.44 0.00 0.00 57.07 52.42 2diq s TYR 66 Cb -0.13 -2.48 -0.12 0.00 0.35 0.00 0.00 41.96 39.58 2diq s TYR 66 CO 0.21 -0.88 2.42 1.19 -1.34 0.00 0.00 175.55 177.15 2diq n PHE 67 N 4.51 1.20 0.27 4.97 3.01 0.28 0.29 117.46 132.00 2diq n PHE 67 Ca -0.08 0.07 0.16 0.00 1.01 0.00 0.00 57.45 58.61 2diq n PHE 67 Cb 0.42 -2.51 0.71 0.00 -0.01 0.00 0.00 39.48 38.10 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 7.69 0.16 0.22 -4.37 -1.51 -1.73 1.18 116.25 117.88 2diq h VAL 68 Ca -0.11 -0.56 -0.34 0.00 -1.23 0.00 0.00 66.70 64.45 2diq h VAL 68 Cb 1.15 1.48 0.02 0.00 -2.13 0.00 0.00 31.29 31.82 2diq h VAL 68 CO 1.13 0.05 -1.60 0.44 -1.23 0.00 0.00 177.57 176.36 2diq h ASP 69 N 0.00 0.73 0.00 4.19 3.32 -1.77 1.35 116.42 124.24 2diq h ASP 69 Ca -0.00 -0.90 -0.05 0.00 0.02 0.00 0.00 57.03 56.10 2diq h ASP 69 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2diq h ASP 69 CO 0.01 1.73 -1.05 0.49 -1.72 0.00 0.00 179.24 178.70 2diq n PHE 70 N -3.65 0.22 0.00 4.55 3.01 -1.11 -2.93 117.46 117.55 2diq n PHE 70 Ca -0.20 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2diq n PHE 70 Cb 1.09 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 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 1.47 3.06 3.48 1.37 0.00 0.40 -4.66 105.19 110.31 2diq n GLY 71 Ca -0.17 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2diq n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2diq s ASP 72 N -0.10 0.09 -0.08 1.61 2.15 -1.26 -4.55 116.67 114.54 2diq s ASP 72 Ca 0.00 0.71 0.04 0.00 0.43 0.00 0.00 52.55 53.73 2diq s ASP 72 Cb 0.00 -0.99 -0.01 0.00 -0.30 0.00 0.00 42.92 41.62 2diq s ASP 72 CO 0.00 -4.64 -0.21 0.20 -0.17 0.00 0.00 175.17 170.35 2diq s ASN 73 N -3.61 3.43 0.30 -0.34 -0.87 -1.26 -0.55 114.94 112.04 2diq s ASN 73 Ca 0.70 -0.43 0.11 0.00 -1.57 0.00 0.00 52.86 51.67 2diq s ASN 73 Cb -0.11 -1.07 -0.05 0.00 -0.02 0.00 0.00 41.25 40.00 2diq s ASN 73 CO 0.57 0.24 -0.12 -0.83 -2.57 0.00 0.00 177.10 174.38 2diq s GLY 74 N -0.10 1.94 -0.04 0.66 0.00 0.11 -4.94 107.32 104.96 2diq s GLY 74 Ca -0.04 -1.90 0.03 0.00 0.00 0.00 0.00 44.72 42.81 2diq s GLY 74 CO 0.04 -1.94 -0.13 0.51 0.00 0.00 0.00 173.10 171.59 2diq s ASP 75 N -3.58 1.69 -0.22 1.64 -4.77 -1.26 0.22 116.67 110.38 2diq s ASP 75 Ca 0.31 -0.27 -0.27 0.00 -3.30 0.00 0.00 52.55 49.02 2diq s ASP 75 Cb -0.03 -0.50 0.11 0.00 -1.09 0.00 0.00 42.92 41.42 2diq s ASP 75 CO 0.17 0.10 0.96 0.00 0.70 0.00 0.00 175.17 177.09 2diq s PRO 77 N -0.30 3.99 0.32 0.00 0.04 -1.26 -2.72 135.00 135.07 2diq s PRO 77 Ca 0.00 1.86 0.08 0.00 0.04 0.00 0.00 61.00 62.98 2diq s PRO 77 Cb -0.03 -2.63 0.92 0.00 0.04 0.00 0.00 34.50 32.80 2diq s PRO 77 CO -0.02 -0.38 1.60 1.25 0.04 0.00 0.00 177.00 179.49 2diq h LEU 78 N 2.53 -0.09 -1.20 -3.56 6.46 -1.93 1.18 115.31 118.69 2diq h LEU 78 Ca -0.49 0.25 0.12 0.00 -0.12 0.00 0.00 57.88 57.64 2diq h LEU 78 Cb 1.24 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 41.45 2diq h LEU 78 CO 0.62 -0.32 0.58 0.07 -0.62 0.00 0.00 178.44 178.78 2diq h LYS 79 N 0.07 0.81 -0.05 1.25 5.09 -1.91 0.43 116.57 122.27 2diq h LYS 79 Ca 0.66 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 61.35 2diq h LYS 79 Cb 1.50 -0.18 0.00 0.00 0.10 0.00 0.00 32.23 33.65 2diq h LYS 79 CO -0.80 0.54 0.00 -0.25 -2.09 0.00 0.00 179.45 176.85 2diq n ASP 80 N -4.55 0.52 -4.87 7.07 8.00 0.40 -4.43 116.55 118.69 2diq n ASP 80 Ca 0.16 -1.48 -0.27 0.00 0.71 0.00 0.00 54.79 53.92 2diq n ASP 80 Cb 0.37 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.62 4.09 -0.01 0.64 1.43 0.15 -4.03 118.68 119.34 2diq s LEU 81 Ca 0.31 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 2diq s LEU 81 Cb 0.15 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.68 2diq s LEU 81 CO 0.24 0.08 -0.03 -0.13 0.23 0.00 0.00 176.35 176.74 2diq s ARG 82 N -3.05 0.31 0.02 1.70 1.81 -0.40 -4.25 118.95 115.10 2diq s ARG 82 Ca 0.33 -0.10 -0.30 0.00 -1.72 0.00 0.00 55.73 53.93 2diq s ARG 82 Cb -0.11 -0.33 -0.08 0.00 -0.45 0.00 0.00 34.95 33.98 2diq s ARG 82 CO 0.26 0.05 1.79 0.00 -0.68 0.00 0.00 175.30 176.71 2diq s ALA 83 N 0.09 3.63 0.11 2.13 0.00 -1.26 -0.91 121.76 125.55 2diq s ALA 83 Ca -0.01 1.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 2diq s ALA 83 Cb -0.03 -3.77 -0.07 0.00 0.00 0.00 0.00 23.12 19.24 2diq s ALA 83 CO -0.00 -1.39 1.25 -1.17 0.00 0.00 0.00 175.76 174.45 2diq s LEU 84 N 3.78 4.39 0.78 0.00 2.96 -1.26 -4.84 118.68 124.49 2diq s LEU 84 Ca 0.80 2.16 -0.12 0.00 -0.22 0.00 0.00 54.13 56.75 2diq s LEU 84 Cb -0.39 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 42.77 2diq s LEU 84 CO 0.35 -0.49 1.13 -0.13 -1.32 0.00 0.00 176.35 175.89 2diq s ARG 85 N 0.70 2.19 0.34 1.98 0.52 -1.26 -4.95 118.95 118.48 2diq s ARG 85 Ca 0.59 0.35 0.07 0.00 -0.52 0.00 0.00 55.73 56.22 2diq s ARG 85 Cb -0.32 -1.96 0.61 0.00 0.52 0.00 0.00 34.95 33.80 2diq s ARG 85 CO 0.32 -1.48 1.82 0.77 0.02 0.00 0.00 175.30 176.74 2diq h SER 86 N -0.98 0.30 -0.30 0.23 0.02 -1.98 -2.57 113.55 108.27 2diq h SER 86 Ca -0.46 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.35 2diq h SER 86 Cb 1.29 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 2diq h SER 86 CO 0.63 0.53 0.01 0.44 -1.14 0.00 0.00 176.83 177.30 2diq h ASP 87 N 0.28 0.59 1.40 3.07 3.32 -2.01 -0.78 116.42 122.29 2diq h ASP 87 Ca 0.05 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2diq h ASP 87 Cb 0.54 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2diq h ASP 87 CO 0.04 0.66 0.00 0.49 -1.72 0.00 0.00 179.24 178.71 2diq n PHE 88 N -4.26 0.92 0.05 4.55 3.72 -0.99 -3.12 117.46 118.33 2diq n PHE 88 Ca 0.02 0.28 0.10 0.00 -0.05 0.00 0.00 57.45 57.79 2diq n PHE 88 Cb 0.26 -0.95 -0.08 0.00 -0.94 0.00 0.00 39.48 37.78 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 -2.26 0.51 0.03 4.37 4.77 -0.71 -4.16 117.00 119.55 2diq n LEU 89 Ca 0.05 0.20 0.21 0.00 -0.03 0.00 0.00 56.01 56.44 2diq n LEU 89 Cb 0.41 -0.01 0.57 0.00 -2.33 0.00 0.00 43.42 42.06 2diq n LEU 89 CO 0.29 -0.07 1.19 -1.28 -1.33 0.00 0.00 177.39 176.19 2diq h SER 90 N 0.00 0.00 -3.19 -1.43 0.87 -1.12 -3.38 113.55 105.30 2diq h SER 90 Ca -0.03 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.94 2diq h SER 90 Cb 1.09 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.99 2diq h SER 90 CO 0.00 0.00 -0.15 -0.22 -0.53 0.00 0.00 176.83 175.94 2diq s LEU 91 N -6.62 4.39 0.61 2.23 0.20 -1.26 -5.07 118.68 113.16 2diq s LEU 91 Ca -0.03 0.94 -0.17 0.00 0.69 0.00 0.00 54.13 55.56 2diq s LEU 91 Cb 0.13 -2.68 -0.02 0.00 -0.43 0.00 0.00 46.19 43.18 2diq s LEU 91 CO 0.43 0.17 1.12 -2.16 -0.29 0.00 0.00 176.35 175.62 2diq s PRO 92 N -0.31 3.02 -0.39 0.98 0.04 -1.26 -4.92 135.00 132.17 2diq s PRO 92 Ca 0.25 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 2diq s PRO 92 Cb -0.16 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2diq s PRO 92 CO 0.13 -1.09 2.04 -0.06 0.04 0.00 0.00 177.00 178.06 2diq s PHE 93 N -2.12 1.47 0.13 0.56 0.08 -1.26 -4.86 117.98 111.99 2diq s PHE 93 Ca 0.69 0.82 -0.20 0.00 0.12 0.00 0.00 56.93 58.37 2diq s PHE 93 Cb -0.22 -3.96 -0.01 0.00 -0.57 0.00 0.00 43.02 38.26 2diq s PHE 93 CO 0.36 -3.03 1.70 1.96 -0.10 0.00 0.00 175.22 176.10 2diq h GLN 94 N 15.15 -0.00 -4.82 0.44 1.08 -1.77 -3.37 115.11 121.81 2diq h GLN 94 Ca -0.32 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.18 2diq h GLN 94 Cb 1.20 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.45 2diq h GLN 94 CO 1.07 -0.00 -0.13 0.00 -0.95 0.00 0.00 178.83 178.82 2diq s ALA 95 N -6.20 3.43 0.09 3.87 0.00 0.46 -4.97 121.76 118.45 2diq s ALA 95 Ca -0.13 -1.68 -0.26 0.00 0.00 0.00 0.00 51.96 49.89 2diq s ALA 95 Cb 0.11 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 2diq s ALA 95 CO 0.69 -1.76 0.80 0.42 0.00 0.00 0.00 175.76 175.91 2diq s ILE 96 N 2.24 4.58 0.00 0.00 -1.09 -1.26 -4.41 121.20 121.27 2diq s ILE 96 Ca 0.12 1.73 -0.37 0.00 -2.23 0.00 0.00 60.65 59.90 2diq s ILE 96 Cb -0.19 -4.16 -0.16 0.00 -1.58 0.00 0.00 42.46 36.38 2diq s ILE 96 CO 0.12 0.41 1.50 1.21 -1.23 0.00 0.00 174.94 176.95 2diq n GLU 97 N 2.43 1.36 -2.56 2.79 0.00 -1.26 -4.93 120.64 118.47 2diq n GLU 97 Ca -0.03 0.49 -0.32 0.00 0.00 0.00 0.00 57.16 57.30 2diq n GLU 97 Cb 0.50 -2.18 -0.05 0.00 0.00 0.00 0.00 31.44 29.71 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 -2.71 6.43 0.07 0.00 0.15 -1.26 -5.00 113.70 111.38 2diq s SER 99 Ca 0.60 -1.94 -0.08 0.00 0.70 0.00 0.00 55.95 55.23 2diq s SER 99 Cb -0.10 -2.28 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2diq s SER 99 CO 0.24 -0.92 0.16 -1.48 1.20 0.00 0.00 173.24 172.44 2diq s LEU 100 N 1.85 1.55 0.90 3.45 2.34 -1.26 -5.17 118.68 122.34 2diq s LEU 100 Ca 0.16 -0.64 -0.12 0.00 0.06 0.00 0.00 54.13 53.59 2diq s LEU 100 Cb -0.17 0.91 0.13 0.00 -0.56 0.00 0.00 46.19 46.50 2diq s LEU 100 CO -0.01 -0.68 1.11 0.00 -1.06 0.00 0.00 176.35 175.70 2diq s ALA 101 N -3.62 1.66 0.09 1.48 0.00 -1.26 -5.09 121.76 115.03 2diq s ALA 101 Ca 0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 2diq s ALA 101 Cb 0.04 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2diq s ALA 101 CO -0.10 -2.28 0.30 0.50 0.00 0.00 0.00 175.76 174.19 2diq s ARG 102 N -5.11 0.93 -0.04 0.00 3.52 -1.26 -5.12 118.95 111.88 2diq s ARG 102 Ca 0.63 -0.76 -0.35 0.00 -0.13 0.00 0.00 55.73 55.12 2diq s ARG 102 Cb -0.16 0.40 -0.13 0.00 -1.56 0.00 0.00 34.95 33.49 2diq s ARG 102 CO 0.55 -0.33 1.73 -0.89 -0.81 0.00 0.00 175.30 175.55 2diq n ILE 103 N 0.01 0.33 -4.53 4.11 2.08 -1.26 -4.97 119.36 115.12 2diq n ILE 103 Ca -0.16 -0.06 -0.25 0.00 0.56 0.00 0.00 62.75 62.84 2diq n ILE 103 Cb 0.62 -1.58 -0.11 0.00 -0.75 0.00 0.00 39.64 37.82 2diq n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2diq s ALA 104 N 2.82 2.83 0.29 -1.39 0.00 -1.26 -5.16 121.76 119.89 2diq s ALA 104 Ca 0.89 -2.12 0.05 0.00 0.00 0.00 0.00 51.96 50.79 2diq s ALA 104 Cb -0.77 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.43 2diq s ALA 104 CO 0.50 -0.05 -0.02 0.45 0.00 0.00 0.00 175.76 176.63 2diq s SER 105 N -3.59 2.58 -0.48 0.00 0.15 -1.26 -5.12 113.70 105.97 2diq s SER 105 Ca 0.33 -1.24 0.07 0.00 0.70 0.00 0.00 55.95 55.81 2diq s SER 105 Cb 0.06 -0.13 0.19 0.00 -1.71 0.00 0.00 66.02 64.42 2diq s SER 105 CO 0.16 -0.43 0.69 -0.83 1.20 0.00 0.00 173.24 174.03 2diq s GLY 106 N -3.44 -1.25 0.51 9.45 0.00 -1.26 -5.16 107.32 106.17 2diq s GLY 106 Ca 0.31 -0.20 -0.09 0.00 0.00 0.00 0.00 44.72 44.75 2diq s GLY 106 CO 0.12 3.66 0.45 -1.55 0.00 0.00 0.00 173.10 175.78 2diq n PRO 107 N 3.48 -1.91 -4.37 2.90 -0.04 -1.26 -5.09 135.00 128.71 2diq n PRO 107 Ca 0.15 -0.73 -0.19 0.00 -0.04 0.00 0.00 63.50 62.69 2diq n PRO 107 Cb 0.56 -0.68 -0.10 0.00 -0.04 0.00 0.00 33.50 33.24 2diq n PRO 107 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2diq s SER 108 N -2.73 2.63 0.30 3.54 1.04 -1.26 -5.16 113.70 112.07 2diq s SER 108 Ca 0.29 -1.08 0.02 0.00 0.48 0.00 0.00 55.95 55.66 2diq s SER 108 Cb -0.03 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 2diq s SER 108 CO 0.23 -0.23 0.47 -0.55 0.98 0.00 0.00 173.24 174.14 2diq s SER 109 N -3.36 6.31 0.00 7.02 0.15 -1.26 -5.37 113.70 117.19 2diq s SER 109 Ca 0.25 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2diq s SER 109 Cb 0.01 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 2diq s SER 109 CO 0.09 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.94