#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 5.94 -0.08 1.61 0.01 -1.26 -5.09 113.70 114.84 2diq s SER 2 Ca 0.00 1.11 0.04 0.00 1.31 0.00 0.00 55.95 58.41 2diq s SER 2 Cb 0.00 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2diq s SER 2 CO 0.00 -0.95 -0.20 -0.94 0.41 0.00 0.00 173.24 171.56 2diq s SER 3 N -4.23 2.58 0.39 2.44 1.04 -1.26 -5.14 113.70 109.52 2diq s SER 3 Ca 0.54 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.55 2diq s SER 3 Cb -0.11 -1.08 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 2diq s SER 3 CO 0.50 0.13 0.56 -0.83 0.98 0.00 0.00 173.24 174.58 2diq s GLY 4 N 0.35 1.57 -0.14 7.32 0.00 -1.26 -5.05 107.32 110.11 2diq s GLY 4 Ca -0.14 -1.26 -0.29 0.00 0.00 0.00 0.00 44.72 43.03 2diq s GLY 4 CO 0.06 -1.14 1.30 -0.56 0.00 0.00 0.00 173.10 172.77 2diq s SER 5 N -4.19 6.92 -0.18 1.64 0.01 -1.26 -5.00 113.70 111.65 2diq s SER 5 Ca 0.46 1.77 -0.20 0.00 1.31 0.00 0.00 55.95 59.30 2diq s SER 5 Cb -0.10 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2diq s SER 5 CO 0.34 -0.76 0.56 -0.55 0.41 0.00 0.00 173.24 173.24 2diq s SER 6 N 2.07 6.65 0.48 2.44 0.15 -1.26 -5.06 113.70 119.18 2diq s SER 6 Ca 0.57 0.79 -0.16 0.00 0.70 0.00 0.00 55.95 57.85 2diq s SER 6 Cb -0.23 -2.32 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 2diq s SER 6 CO 0.17 -0.18 0.94 -0.83 1.20 0.00 0.00 173.24 174.55 2diq s GLY 7 N 1.06 2.09 0.20 9.45 0.00 -1.26 -5.07 107.32 113.79 2diq s GLY 7 Ca 0.27 0.15 -0.03 0.00 0.00 0.00 0.00 44.72 45.10 2diq s GLY 7 CO 0.11 0.41 0.42 -1.60 0.00 0.00 0.00 173.10 172.43 2diq s ARG 8 N -3.92 3.59 0.24 2.90 6.06 -1.26 -5.11 118.95 121.45 2diq s ARG 8 Ca 0.58 -0.16 0.10 0.00 -2.50 0.00 0.00 55.73 53.75 2diq s ARG 8 Cb -0.10 -2.80 -0.04 0.00 0.06 0.00 0.00 34.95 32.07 2diq s ARG 8 CO 0.29 0.39 -0.11 -1.12 -2.50 0.00 0.00 175.30 172.25 2diq s SER 9 N -2.86 4.10 -0.01 -2.12 0.01 -1.26 -5.03 113.70 106.53 2diq s SER 9 Ca 0.41 -0.75 -0.08 0.00 1.31 0.00 0.00 55.95 56.83 2diq s SER 9 Cb -0.11 -0.61 -0.05 0.00 0.21 0.00 0.00 66.02 65.47 2diq s SER 9 CO 0.27 0.05 0.65 -0.07 0.41 0.00 0.00 173.24 174.56 2diq h LEU 10 N 2.40 -0.25 -1.77 2.44 3.38 -1.99 0.14 115.31 119.65 2diq h LEU 10 Ca -0.44 0.01 0.27 0.00 0.09 0.00 0.00 57.88 57.81 2diq h LEU 10 Cb 1.24 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 2diq h LEU 10 CO 0.57 -0.08 0.69 1.56 0.09 0.00 0.00 178.44 181.27 2diq h GLN 11 N -0.49 0.15 0.17 1.13 1.08 -1.99 -0.85 115.11 114.31 2diq h GLN 11 Ca -0.03 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2diq h GLN 11 Cb 0.23 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2diq h GLN 11 CO 0.05 0.10 -0.08 1.25 -0.95 0.00 0.00 178.83 179.20 2diq h LEU 12 N 0.16 -0.19 -1.02 1.46 5.85 -1.98 -2.50 115.31 117.08 2diq h LEU 12 Ca 0.50 0.01 0.34 0.00 0.84 0.00 0.00 57.88 59.57 2diq h LEU 12 Cb 1.70 0.05 -0.15 0.00 0.37 0.00 0.00 40.66 42.62 2diq h LEU 12 CO -0.10 0.04 0.58 -0.78 -0.34 0.00 0.00 178.44 177.84 2diq h ASP 13 N -0.58 0.48 -0.32 1.25 3.58 -0.51 0.55 116.42 120.88 2diq h ASP 13 Ca -0.02 0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 2diq h ASP 13 Cb 0.17 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2diq h ASP 13 CO 0.04 -0.18 -0.00 0.50 -2.88 0.00 0.00 179.24 176.72 2diq h LYS 14 N 0.27 0.56 -0.31 0.28 3.11 -1.25 -2.31 116.57 116.91 2diq h LYS 14 Ca 0.75 -0.18 -0.04 0.00 -2.81 0.00 0.00 60.65 58.38 2diq h LYS 14 Cb 1.79 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.96 2diq h LYS 14 CO -0.62 0.70 0.04 1.25 -2.81 0.00 0.00 179.45 178.01 2diq h LEU 15 N 0.36 0.50 -1.08 5.20 5.85 0.40 -2.33 115.31 124.21 2diq h LEU 15 Ca 0.09 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2diq h LEU 15 Cb 0.44 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 2diq h LEU 15 CO 0.02 0.65 0.62 0.58 -0.34 0.00 0.00 178.44 179.96 2diq h VAL 16 N 0.34 1.02 0.53 1.05 2.07 -0.62 -1.95 116.25 118.70 2diq h VAL 16 Ca 0.09 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2diq h VAL 16 Cb 0.36 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2diq h VAL 16 CO 0.01 0.19 -0.25 -1.13 0.02 0.00 0.00 177.57 176.40 2diq h ASN 17 N 1.04 -0.60 -0.71 0.57 -0.73 -1.22 -2.44 115.58 111.49 2diq h ASN 17 Ca 0.43 -0.06 0.16 0.00 1.87 0.00 0.00 56.30 58.70 2diq h ASN 17 Cb 0.29 0.16 -0.13 0.00 0.27 0.00 0.00 38.32 38.91 2diq h ASN 17 CO -0.19 -0.25 -0.04 -0.33 -0.37 0.00 0.00 177.43 176.25 2diq h GLU 18 N -1.00 0.07 0.52 6.67 4.39 -1.18 -1.52 114.58 122.54 2diq h GLU 18 Ca -0.07 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2diq h GLU 18 Cb 0.62 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2diq h GLU 18 CO 0.12 0.05 -0.42 0.52 -1.16 0.00 0.00 179.01 178.12 2diq h MET 19 N 0.07 -0.88 0.00 2.33 2.86 -1.35 -2.15 114.93 115.81 2diq h MET 19 Ca 0.38 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 2diq h MET 19 Cb 0.63 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2diq h MET 19 CO -0.66 -0.59 0.00 2.41 1.06 0.00 0.00 176.91 179.14 2diq n THR 20 N -5.01 0.00 -0.27 2.22 -1.04 -0.79 0.06 114.28 109.46 2diq n THR 20 Ca -0.11 1.28 0.26 0.00 -2.04 0.00 0.00 64.05 63.43 2diq n THR 20 Cb 0.40 -1.95 0.46 0.00 -1.82 0.00 0.00 70.33 67.42 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 -1.85 -0.04 0.01 -2.82 1.13 -0.64 0.17 117.38 113.34 2diq n GLN 21 Ca 0.00 1.03 -0.00 0.00 -1.94 0.00 0.00 57.00 56.09 2diq n GLN 21 Cb 0.00 -1.88 -0.00 0.00 0.11 0.00 0.00 30.24 28.46 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 -0.03 0.59 1.08 2.76 -0.42 -3.29 115.15 115.85 2diq h HIS 22 Ca 0.65 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.79 2diq h HIS 22 Cb 1.80 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.77 2diq h HIS 22 CO -0.01 -0.02 -0.32 1.88 -1.30 0.00 0.00 177.93 178.17 2diq h TYR 23 N -0.06 -0.83 -0.70 5.26 0.05 0.15 -2.62 116.97 118.22 2diq h TYR 23 Ca -0.00 -0.01 0.26 0.00 0.05 0.00 0.00 58.73 59.03 2diq h TYR 23 Cb 0.02 0.29 -0.09 0.00 1.01 0.00 0.00 36.73 37.96 2diq h TYR 23 CO 0.09 -0.50 0.42 -0.85 -1.05 0.00 0.00 178.16 176.28 2diq n GLU 24 N -5.46 -0.03 -2.62 4.88 0.28 0.44 0.17 120.64 118.30 2diq n GLU 24 Ca -0.13 0.76 -0.32 0.00 -0.16 0.00 0.00 57.16 57.32 2diq n GLU 24 Cb 0.36 -1.44 -0.01 0.00 1.43 0.00 0.00 31.44 31.78 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 -4.06 5.56 -3.42 -1.84 3.02 -0.99 -5.01 115.26 108.52 2diq n ASN 25 Ca 0.23 -3.72 -0.17 0.00 -0.03 0.00 0.00 54.58 50.89 2diq n ASN 25 Cb 0.84 -0.73 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 2diq n ASN 25 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2diq s SER 26 N -2.73 1.25 0.12 6.41 1.04 0.45 -4.97 113.70 115.28 2diq s SER 26 Ca 0.47 -1.62 0.01 0.00 0.48 0.00 0.00 55.95 55.29 2diq s SER 26 Cb 0.31 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 2diq s SER 26 CO -0.19 -1.11 0.27 0.68 0.98 0.00 0.00 173.24 173.87 2diq s VAL 27 N -3.41 5.33 -0.31 5.02 -7.23 -1.26 -5.05 120.40 113.49 2diq s VAL 27 Ca 0.37 -0.49 -0.29 0.00 -1.81 0.00 0.00 61.98 59.76 2diq s VAL 27 Cb 0.02 -3.69 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 2diq s VAL 27 CO 0.23 0.00 1.67 -2.16 -0.31 0.00 0.00 175.10 174.54 2diq s PRO 28 N -2.91 3.52 -0.17 4.82 0.04 -1.26 -4.98 135.00 134.05 2diq s PRO 28 Ca 0.35 1.41 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 2diq s PRO 28 Cb -0.12 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.28 2diq s PRO 28 CO 0.28 -1.64 0.72 -1.21 0.04 0.00 0.00 177.00 175.19 2diq s GLU 29 N 5.23 4.27 -0.85 4.56 2.02 -1.26 -5.00 118.70 127.66 2diq s GLU 29 Ca 0.74 0.81 -0.21 0.00 0.02 0.00 0.00 54.97 56.33 2diq s GLU 29 Cb -0.22 -3.56 0.09 0.00 0.10 0.00 0.00 34.13 30.54 2diq s GLU 29 CO 0.32 -0.25 1.14 0.16 0.02 0.00 0.00 175.26 176.65 2diq s ASP 30 N 1.14 6.44 0.16 -0.19 -4.77 -1.26 -4.74 116.67 113.46 2diq s ASP 30 Ca 0.33 -1.55 0.11 0.00 -3.30 0.00 0.00 52.55 48.14 2diq s ASP 30 Cb -0.16 -2.44 -0.04 0.00 -1.09 0.00 0.00 42.92 39.18 2diq s ASP 30 CO 0.12 -1.29 -0.22 -1.48 0.70 0.00 0.00 175.17 173.00 2diq s LEU 31 N 3.63 2.51 -0.48 2.11 2.34 -1.26 -5.10 118.68 122.43 2diq s LEU 31 Ca 0.32 -0.75 -0.22 0.00 0.06 0.00 0.00 54.13 53.53 2diq s LEU 31 Cb -0.08 -1.30 0.03 0.00 -0.56 0.00 0.00 46.19 44.28 2diq s LEU 31 CO -0.02 0.14 0.77 -0.89 -1.06 0.00 0.00 176.35 175.29 2diq s THR 32 N -1.43 4.66 0.07 5.48 2.01 -1.26 -5.04 115.64 120.14 2diq s THR 32 Ca 0.19 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.44 2diq s THR 32 Cb -0.09 -4.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 2diq s THR 32 CO 0.09 -0.80 -0.13 0.54 -0.69 0.00 0.00 174.62 173.64 2diq s VAL 33 N 3.24 3.16 0.08 3.82 0.11 -1.26 -5.14 120.40 124.42 2diq s VAL 33 Ca 0.26 -1.20 0.06 0.00 -2.93 0.00 0.00 61.98 58.17 2diq s VAL 33 Cb -0.14 -2.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.27 2diq s VAL 33 CO 0.19 0.22 -0.15 -1.00 -3.33 0.00 0.00 175.10 171.03 2diq s HIS 34 N -1.08 1.32 -0.43 1.54 3.76 -1.26 -5.07 115.29 114.08 2diq s HIS 34 Ca 0.18 -0.46 -0.41 0.00 -0.15 0.00 0.00 55.06 54.21 2diq s HIS 34 Cb -0.11 -0.73 -0.16 0.00 1.11 0.00 0.00 32.58 32.68 2diq s HIS 34 CO 0.10 0.09 2.04 1.55 -0.85 0.00 0.00 174.74 177.66 2diq n VAL 35 N 1.17 0.10 0.00 -0.90 3.14 -1.26 -1.39 118.33 119.19 2diq n VAL 35 Ca -0.20 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 2diq n VAL 35 Cb 0.54 -0.93 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 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 6.37 1.20 3.95 7.55 0.00 0.29 -4.90 105.19 119.65 2diq n GLY 36 Ca 0.44 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.40 5.60 -0.09 1.61 1.11 -0.49 -4.84 116.67 118.17 2diq s ASP 37 Ca 0.00 0.34 0.02 0.00 0.18 0.00 0.00 52.55 53.09 2diq s ASP 37 Cb 0.00 -1.42 -0.02 0.00 1.07 0.00 0.00 42.92 42.55 2diq s ASP 37 CO 0.00 -0.93 -0.14 -0.63 1.18 0.00 0.00 175.17 174.65 2diq s ILE 38 N -2.75 3.03 0.26 0.77 -1.09 -1.26 -1.66 121.20 118.50 2diq s ILE 38 Ca 0.52 -0.70 -0.15 0.00 -2.23 0.00 0.00 60.65 58.09 2diq s ILE 38 Cb -0.10 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 2diq s ILE 38 CO 0.40 0.56 0.56 0.68 -1.23 0.00 0.00 174.94 175.91 2diq s VAL 39 N -0.15 0.00 -0.07 2.92 -7.23 -1.06 -4.26 120.40 110.55 2diq s VAL 39 Ca -0.01 -1.28 -0.05 0.00 -1.81 0.00 0.00 61.98 58.83 2diq s VAL 39 Cb -0.14 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2diq s VAL 39 CO 0.03 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 174.97 2diq s ALA 40 N -3.92 3.85 -0.14 1.32 0.00 0.82 -2.13 121.76 121.57 2diq s ALA 40 Ca 0.19 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 2diq s ALA 40 Cb -0.02 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.25 2diq s ALA 40 CO 0.09 0.67 0.37 0.00 0.00 0.00 0.00 175.76 176.88 2diq s ALA 41 N -1.13 -0.92 0.99 0.00 0.00 -1.07 -1.22 121.76 118.42 2diq s ALA 41 Ca 0.19 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 2diq s ALA 41 Cb -0.12 -0.63 0.18 0.00 0.00 0.00 0.00 23.12 22.55 2diq s ALA 41 CO 0.09 -0.18 1.09 -1.25 0.00 0.00 0.00 175.76 175.51 2diq s PRO 42 N 0.31 0.50 -0.18 0.00 0.04 -1.26 -0.77 135.00 133.63 2diq s PRO 42 Ca -0.01 0.55 0.01 0.00 0.04 0.00 0.00 61.00 61.59 2diq s PRO 42 Cb -0.03 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.78 2diq s PRO 42 CO -0.01 -2.69 -0.19 -1.17 0.04 0.00 0.00 177.00 172.98 2diq s LEU 43 N -6.44 2.19 0.00 -3.56 2.96 -1.03 -4.84 118.68 107.97 2diq s LEU 43 Ca 0.65 -0.64 0.15 0.00 -0.22 0.00 0.00 54.13 54.07 2diq s LEU 43 Cb -0.19 -1.50 0.83 0.00 0.50 0.00 0.00 46.19 45.84 2diq s LEU 43 CO 0.58 -0.00 1.38 -0.81 -1.32 0.00 0.00 176.35 176.17 2diq n PRO 44 N 4.63 0.34 -0.11 0.98 -0.04 -1.26 0.15 135.00 139.68 2diq n PRO 44 Ca -0.21 0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 2diq n PRO 44 Cb 0.50 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.15 1.52 -0.05 0.52 -2.24 -1.26 -4.76 114.28 106.86 2diq n THR 45 Ca 0.09 -0.11 -0.05 0.00 -2.27 0.00 0.00 64.05 61.71 2diq n THR 45 Cb 0.09 -2.05 -0.06 0.00 -2.10 0.00 0.00 70.33 66.21 2diq n THR 45 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2diq n ASN 46 N -4.39 2.91 -0.58 3.42 6.94 -1.19 -5.07 115.26 117.30 2diq n ASN 46 Ca -0.36 -0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.18 2diq n ASN 46 Cb 0.70 0.47 0.00 0.00 -2.36 0.00 0.00 39.78 38.59 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2diq n GLY 47 N 2.59 0.83 3.12 4.83 0.00 0.39 -5.00 105.19 111.95 2diq n GLY 47 Ca -0.16 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.30 -0.31 0.22 1.61 0.01 -1.25 -4.77 113.70 106.91 2diq s SER 48 Ca 0.00 0.58 -0.30 0.00 1.31 0.00 0.00 55.95 57.54 2diq s SER 48 Cb 0.00 0.51 -0.09 0.00 0.21 0.00 0.00 66.02 66.65 2diq s SER 48 CO 0.00 -0.14 1.33 0.26 0.41 0.00 0.00 173.24 175.10 2diq s TRP 49 N 0.87 3.20 0.04 2.43 0.52 -1.26 -2.45 118.94 122.29 2diq s TRP 49 Ca -0.06 1.21 0.02 0.00 0.02 0.00 0.00 56.10 57.28 2diq s TRP 49 Cb -0.07 -3.64 -0.02 0.00 -1.15 0.00 0.00 33.47 28.58 2diq s TRP 49 CO -0.06 -2.00 -0.07 0.71 0.02 0.00 0.00 176.95 175.55 2diq s TYR 50 N -0.02 0.57 -0.39 -1.98 2.02 0.05 -4.64 117.35 112.95 2diq s TYR 50 Ca 0.56 -0.50 -0.29 0.00 -0.37 0.00 0.00 57.07 56.48 2diq s TYR 50 Cb -0.38 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 2diq s TYR 50 CO 0.40 -0.10 1.47 1.03 -1.57 0.00 0.00 175.55 176.78 2diq s ARG 51 N -1.52 3.56 0.20 -0.62 0.52 -1.26 -2.58 118.95 117.26 2diq s ARG 51 Ca -0.11 1.04 0.10 0.00 -0.52 0.00 0.00 55.73 56.24 2diq s ARG 51 Cb -0.10 -4.04 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 2diq s ARG 51 CO 0.00 -1.58 -0.19 0.00 0.02 0.00 0.00 175.30 173.55 2diq s ALA 52 N 5.59 2.27 -0.19 2.13 0.00 -0.90 -1.42 121.76 129.23 2diq s ALA 52 Ca 0.64 -1.64 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 2diq s ALA 52 Cb -0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2diq s ALA 52 CO 0.32 0.24 0.03 0.50 0.00 0.00 0.00 175.76 176.86 2diq s ARG 53 N -3.11 3.79 0.19 0.00 3.52 0.20 -2.55 118.95 120.98 2diq s ARG 53 Ca 0.21 -0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 55.06 2diq s ARG 53 Cb -0.05 -3.14 -0.10 0.00 -1.56 0.00 0.00 34.95 30.10 2diq s ARG 53 CO 0.09 0.15 1.51 0.08 -0.81 0.00 0.00 175.30 176.32 2diq s VAL 54 N 0.68 2.69 -0.29 7.11 1.01 -0.66 0.17 120.40 131.11 2diq s VAL 54 Ca 0.01 0.52 0.06 0.00 0.00 0.00 0.00 61.98 62.57 2diq s VAL 54 Cb -0.14 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 2diq s VAL 54 CO 0.02 0.05 0.26 0.18 0.00 0.00 0.00 175.10 175.61 2diq n LEU 55 N 3.44 0.29 0.00 3.92 4.77 0.25 0.11 117.00 129.77 2diq n LEU 55 Ca 0.11 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 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 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2diq n GLY 56 N 1.16 0.22 3.08 -0.72 0.00 -1.25 -4.74 105.19 102.94 2diq n GLY 56 Ca 0.01 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 0.08 0.48 2.61 2.01 -1.26 -3.66 115.64 115.89 2diq s THR 57 Ca 0.00 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 2diq s THR 57 Cb 0.00 -0.39 0.10 0.00 0.01 0.00 0.00 72.50 72.22 2diq s THR 57 CO 0.00 -0.36 0.65 0.18 -0.69 0.00 0.00 174.62 174.40 2diq n LEU 58 N 1.59 0.00 0.17 4.42 4.77 0.63 -4.78 117.00 123.80 2diq n LEU 58 Ca -0.22 -1.11 0.05 0.00 -0.03 0.00 0.00 56.01 54.70 2diq n LEU 58 Cb 0.56 -0.45 0.14 0.00 -2.33 0.00 0.00 43.42 41.34 2diq n LEU 58 CO 0.21 -0.88 0.59 -0.08 -1.33 0.00 0.00 177.39 175.90 2diq h GLU 59 N 0.00 0.00 0.11 3.23 4.57 -2.03 -3.27 114.58 117.19 2diq h GLU 59 Ca -0.21 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.64 2diq h GLU 59 Cb 0.71 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2diq h GLU 59 CO 0.20 0.38 -1.69 -2.95 -1.18 0.00 0.00 179.01 173.77 2diq h ASN 60 N 0.00 0.35 0.00 1.04 -1.07 -2.06 -3.49 115.58 110.35 2diq h ASN 60 Ca -0.00 -0.59 0.00 0.00 0.07 0.00 0.00 56.30 55.78 2diq h ASN 60 Cb 1.19 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 2diq h ASN 60 CO 0.05 1.51 0.00 0.61 0.07 0.00 0.00 177.43 179.66 2diq n GLY 61 N 1.74 3.99 3.20 9.14 0.00 -1.23 -5.14 105.19 116.89 2diq n GLY 61 Ca -0.21 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.98 -4.52 1.61 4.13 -1.26 -4.29 115.26 107.94 2diq n ASN 62 Ca 0.00 0.04 -0.35 0.00 1.68 0.00 0.00 54.58 55.96 2diq n ASN 62 Cb 0.00 -0.87 -0.12 0.00 -1.54 0.00 0.00 39.78 37.25 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 2.28 3.46 -0.57 3.41 1.43 -0.48 -0.27 118.68 127.94 2diq s LEU 63 Ca 0.49 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.23 2diq s LEU 63 Cb -0.09 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 2diq s LEU 63 CO 0.69 0.11 1.90 -0.62 0.23 0.00 0.00 176.35 178.66 2diq s ASP 64 N 0.72 5.26 0.19 2.29 -1.08 -1.24 -3.26 116.67 119.54 2diq s ASP 64 Ca 0.01 0.49 -0.06 0.00 -0.52 0.00 0.00 52.55 52.48 2diq s ASP 64 Cb -0.14 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 38.74 2diq s ASP 64 CO 0.02 -2.36 0.44 -0.76 0.52 0.00 0.00 175.17 173.03 2diq s LEU 65 N 9.15 4.21 -0.31 -1.34 1.43 -0.71 0.84 118.68 131.95 2diq s LEU 65 Ca 0.71 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 2diq s LEU 65 Cb -0.14 -3.42 0.08 0.00 0.03 0.00 0.00 46.19 42.74 2diq s LEU 65 CO 0.22 -0.02 -0.01 -0.47 0.23 0.00 0.00 176.35 176.31 2diq s TYR 66 N -1.77 3.48 -0.15 0.29 5.04 0.45 -0.17 117.35 124.53 2diq s TYR 66 Ca 0.43 -2.51 -0.33 0.00 -2.44 0.00 0.00 57.07 52.21 2diq s TYR 66 Cb -0.12 -2.43 -0.10 0.00 0.35 0.00 0.00 41.96 39.66 2diq s TYR 66 CO 0.25 -0.90 1.99 1.19 -1.34 0.00 0.00 175.55 176.74 2diq n PHE 67 N 4.41 2.17 1.22 4.97 3.01 -0.01 0.60 117.46 133.82 2diq n PHE 67 Ca -0.06 -0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.52 2diq n PHE 67 Cb 0.42 -2.66 0.33 0.00 -0.01 0.00 0.00 39.48 37.56 2diq n PHE 67 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 2diq n VAL 68 N 5.93 0.00 0.37 -4.37 0.24 -0.51 -0.62 118.33 119.37 2diq n VAL 68 Ca 0.27 -0.14 0.06 0.00 -2.04 0.00 0.00 64.34 62.49 2diq n VAL 68 Cb 0.31 0.49 -0.09 0.00 -1.47 0.00 0.00 33.84 33.09 2diq n VAL 68 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2diq n ASP 69 N -0.59 1.13 0.00 -1.34 9.92 -1.26 0.14 116.55 124.55 2diq n ASP 69 Ca 0.12 -0.49 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 2diq n ASP 69 Cb 0.36 1.24 0.00 0.00 -0.64 0.00 0.00 41.12 42.08 2diq n ASP 69 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2diq n PHE 70 N -1.57 0.00 0.00 1.24 3.01 -1.25 -4.11 117.46 114.78 2diq n PHE 70 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2diq n PHE 70 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 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 2.58 3.01 3.49 1.37 0.00 0.21 -4.94 105.19 110.92 2diq n GLY 71 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.90 0.54 0.00 1.61 2.15 -1.26 -4.60 116.67 116.02 2diq s ASP 72 Ca 0.00 0.94 0.06 0.00 0.43 0.00 0.00 52.55 53.98 2diq s ASP 72 Cb 0.00 -1.39 -0.03 0.00 -0.30 0.00 0.00 42.92 41.20 2diq s ASP 72 CO 0.00 -4.39 -0.17 0.20 -0.17 0.00 0.00 175.17 170.63 2diq s ASN 73 N -3.34 3.81 0.15 -0.34 -0.87 -1.26 -0.83 114.94 112.26 2diq s ASN 73 Ca 0.69 -0.35 0.01 0.00 -1.57 0.00 0.00 52.86 51.64 2diq s ASN 73 Cb -0.15 -0.67 -0.00 0.00 -0.02 0.00 0.00 41.25 40.41 2diq s ASN 73 CO 0.59 0.29 0.03 0.61 -2.57 0.00 0.00 177.10 176.04 2diq n GLY 74 N 1.91 3.90 3.64 0.66 0.00 0.77 -4.93 105.19 111.13 2diq n GLY 74 Ca -0.16 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.89 -0.76 -0.08 1.61 1.47 -1.26 -1.74 116.67 114.02 2diq s ASP 75 Ca 0.04 1.28 -0.30 0.00 1.18 0.00 0.00 52.55 54.75 2diq s ASP 75 Cb 0.00 1.31 0.11 0.00 -0.34 0.00 0.00 42.92 44.00 2diq s ASP 75 CO 0.03 -0.21 0.92 0.00 0.68 0.00 0.00 175.17 176.59 2diq s PRO 77 N -2.01 3.82 0.35 0.00 0.04 -1.26 -1.38 135.00 134.56 2diq s PRO 77 Ca 0.01 1.80 0.10 0.00 0.04 0.00 0.00 61.00 62.94 2diq s PRO 77 Cb -0.01 -2.47 0.85 0.00 0.04 0.00 0.00 34.50 32.91 2diq s PRO 77 CO -0.02 -0.51 1.81 1.25 0.04 0.00 0.00 177.00 179.58 2diq h LEU 78 N 2.18 0.66 -1.62 -3.56 6.46 -1.94 0.21 115.31 117.71 2diq h LEU 78 Ca -0.49 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.39 2diq h LEU 78 Cb 1.24 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 41.09 2diq h LEU 78 CO 0.61 0.26 0.34 0.07 -0.62 0.00 0.00 178.44 179.10 2diq h LYS 79 N 0.66 0.46 -0.65 1.25 5.09 -1.91 0.13 116.57 121.59 2diq h LYS 79 Ca 0.53 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 61.24 2diq h LYS 79 Cb 0.95 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.18 2diq h LYS 79 CO -0.29 0.30 0.00 -3.47 -2.09 0.00 0.00 179.45 173.91 2diq n ASP 80 N -4.47 3.38 -4.56 7.07 2.03 0.74 -4.33 116.55 116.40 2diq n ASP 80 Ca 0.07 -2.37 -0.29 0.00 0.52 0.00 0.00 54.79 52.71 2diq n ASP 80 Cb 0.22 -0.51 -0.10 0.00 -0.72 0.00 0.00 41.12 40.02 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 -1.44 2.95 -0.05 -2.67 1.43 0.44 -4.22 118.68 115.12 2diq s LEU 81 Ca 0.32 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2diq s LEU 81 Cb 0.22 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.73 2diq s LEU 81 CO 0.13 0.16 -0.04 -0.13 0.23 0.00 0.00 176.35 176.71 2diq s ARG 82 N -2.31 0.78 -0.56 1.70 1.81 -0.36 -4.19 118.95 115.82 2diq s ARG 82 Ca 0.21 -0.07 -0.27 0.00 -1.72 0.00 0.00 55.73 53.87 2diq s ARG 82 Cb -0.11 -0.84 -0.10 0.00 -0.45 0.00 0.00 34.95 33.46 2diq s ARG 82 CO 0.13 -0.11 2.45 0.00 -0.68 0.00 0.00 175.30 177.09 2diq n ALA 83 N 4.18 0.75 -1.45 2.13 0.00 -1.26 -0.12 120.51 124.74 2diq n ALA 83 Ca -0.23 -0.75 -0.61 0.00 0.00 0.00 0.00 53.44 51.84 2diq n ALA 83 Cb 0.51 -3.00 -0.10 0.00 0.00 0.00 0.00 19.45 16.85 2diq n ALA 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2diq n LEU 84 N 14.52 0.95 -4.50 0.00 7.94 -1.26 -4.84 117.00 129.81 2diq n LEU 84 Ca 0.42 0.91 -0.32 0.00 -1.11 0.00 0.00 56.01 55.91 2diq n LEU 84 Cb 0.44 -0.85 0.15 0.00 0.53 0.00 0.00 43.42 43.69 2diq n LEU 84 CO 0.75 -0.77 0.19 0.54 -1.11 0.00 0.00 177.39 176.99 2diq n ARG 85 N 5.37 -0.63 0.04 1.96 5.12 -1.26 -4.84 116.66 122.41 2diq n ARG 85 Ca 0.40 -0.14 -0.01 0.00 -1.93 0.00 0.00 57.85 56.18 2diq n ARG 85 Cb -0.05 -2.05 0.28 0.00 -1.16 0.00 0.00 32.46 29.48 2diq n ARG 85 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2diq h SER 86 N -1.82 0.41 -0.37 0.55 0.02 -1.99 -2.65 113.55 107.70 2diq h SER 86 Ca -0.46 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.29 2diq h SER 86 Cb 1.29 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2diq h SER 86 CO 0.38 0.58 -0.12 0.44 -1.14 0.00 0.00 176.83 176.97 2diq h ASP 87 N 0.39 0.81 0.94 3.07 5.19 -2.01 -2.35 116.42 122.46 2diq h ASP 87 Ca 0.07 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 2diq h ASP 87 Cb 0.48 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2diq h ASP 87 CO 0.03 0.94 0.00 -0.26 -3.12 0.00 0.00 179.24 176.83 2diq h PHE 88 N 0.73 0.00 -0.00 4.55 0.04 -1.82 -2.06 116.94 118.38 2diq h PHE 88 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2diq h PHE 88 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2diq h PHE 88 CO 0.03 0.00 -0.41 1.28 -0.60 0.00 0.00 178.31 178.61 2diq n LEU 89 N -3.06 0.51 0.09 1.54 4.77 -0.90 -3.97 117.00 115.97 2diq n LEU 89 Ca 0.00 0.02 0.19 0.00 -0.03 0.00 0.00 56.01 56.19 2diq n LEU 89 Cb 0.28 -0.26 0.74 0.00 -2.33 0.00 0.00 43.42 41.86 2diq n LEU 89 CO 0.26 0.12 1.17 -1.28 -1.33 0.00 0.00 177.39 176.33 2diq h SER 90 N 0.15 0.00 -3.15 -1.43 0.87 -1.14 -3.40 113.55 105.45 2diq h SER 90 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.97 2diq h SER 90 Cb 0.50 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.39 2diq h SER 90 CO 0.00 0.00 -0.18 -0.22 -0.53 0.00 0.00 176.83 175.90 2diq s LEU 91 N -8.09 4.40 0.49 2.23 0.20 -1.25 -5.07 118.68 111.59 2diq s LEU 91 Ca -0.05 0.90 -0.21 0.00 0.69 0.00 0.00 54.13 55.46 2diq s LEU 91 Cb 0.17 -2.62 -0.07 0.00 -0.43 0.00 0.00 46.19 43.24 2diq s LEU 91 CO 0.63 0.20 1.15 -2.16 -0.29 0.00 0.00 176.35 175.88 2diq s PRO 92 N -0.42 3.59 -0.13 0.98 0.04 -1.26 -4.92 135.00 132.89 2diq s PRO 92 Ca 0.24 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 2diq s PRO 92 Cb -0.16 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 2diq s PRO 92 CO 0.12 -0.67 2.10 1.19 0.04 0.00 0.00 177.00 179.78 2diq n PHE 93 N -0.82 2.17 -0.10 0.56 3.72 -1.26 -4.86 117.46 116.87 2diq n PHE 93 Ca 0.09 -0.18 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 2diq n PHE 93 Cb 0.49 -2.74 -0.03 0.00 -0.94 0.00 0.00 39.48 36.26 2diq n PHE 93 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2diq h GLN 94 N 12.74 0.53 -4.62 -1.08 1.08 -1.84 -3.38 115.11 118.53 2diq h GLN 94 Ca -0.44 -0.17 -0.71 0.00 -1.45 0.00 0.00 58.65 55.88 2diq h GLN 94 Cb 1.25 -0.04 -0.20 0.00 -0.05 0.00 0.00 27.48 28.43 2diq h GLN 94 CO 0.96 0.68 0.17 0.00 -0.95 0.00 0.00 178.83 179.69 2diq s ALA 95 N -4.95 3.48 0.04 3.87 0.00 0.36 -4.95 121.76 119.62 2diq s ALA 95 Ca -0.13 -2.40 -0.22 0.00 0.00 0.00 0.00 51.96 49.20 2diq s ALA 95 Cb 0.08 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 2diq s ALA 95 CO 0.76 -2.40 0.65 0.42 0.00 0.00 0.00 175.76 175.20 2diq s ILE 96 N 2.40 4.76 1.43 0.00 -1.09 -1.26 -4.42 121.20 123.02 2diq s ILE 96 Ca 0.14 1.39 -0.24 0.00 -2.23 0.00 0.00 60.65 59.71 2diq s ILE 96 Cb -0.21 -3.99 0.37 0.00 -1.58 0.00 0.00 42.46 37.05 2diq s ILE 96 CO 0.03 0.45 0.85 -1.84 -1.23 0.00 0.00 174.94 173.20 2diq n GLU 97 N 2.39 -4.79 -2.52 2.79 0.00 -1.26 -4.91 120.64 112.34 2diq n GLU 97 Ca -0.06 -1.43 -0.43 0.00 0.00 0.00 0.00 57.16 55.24 2diq n GLU 97 Cb 0.50 -1.84 -0.02 0.00 0.00 0.00 0.00 31.44 30.08 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 1.55 2.47 -0.81 0.00 0.15 -1.26 -5.04 113.70 110.75 2diq s SER 99 Ca 0.52 -1.44 -0.25 0.00 0.70 0.00 0.00 55.95 55.48 2diq s SER 99 Cb -0.21 0.06 -0.16 0.00 -1.71 0.00 0.00 66.02 64.00 2diq s SER 99 CO 0.16 -0.68 2.39 0.18 1.20 0.00 0.00 173.24 176.49 2diq n LEU 100 N -0.74 1.56 -3.63 3.45 4.77 -1.26 -4.81 117.00 116.33 2diq n LEU 100 Ca -0.03 -1.45 -0.11 0.00 -0.03 0.00 0.00 56.01 54.39 2diq n LEU 100 Cb 0.66 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.10 2diq n LEU 100 CO 0.41 -2.58 0.54 0.00 -1.33 0.00 0.00 177.39 174.43 2diq s ALA 101 N 13.85 -1.89 0.31 -1.18 0.00 -1.26 -5.15 121.76 126.45 2diq s ALA 101 Ca 0.96 2.04 -0.15 0.00 0.00 0.00 0.00 51.96 54.80 2diq s ALA 101 Cb -0.18 -1.33 -0.11 0.00 0.00 0.00 0.00 23.12 21.50 2diq s ALA 101 CO 0.12 -0.31 0.03 2.89 0.00 0.00 0.00 175.76 178.48 2diq n ARG 102 N 2.78 0.00 -4.08 0.00 0.00 -1.26 -4.98 116.66 109.12 2diq n ARG 102 Ca -0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.62 2diq n ARG 102 Cb 0.56 -0.73 -0.10 0.00 -0.00 0.00 0.00 32.46 32.19 2diq n ARG 102 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2diq s ILE 103 N -1.28 0.35 -1.59 8.89 -0.00 -1.26 -4.75 121.20 121.55 2diq s ILE 103 Ca 0.43 -1.56 -0.11 0.00 -0.00 0.00 0.00 60.65 59.41 2diq s ILE 103 Cb -0.44 -1.18 0.09 0.00 -0.00 0.00 0.00 42.46 40.93 2diq s ILE 103 CO 0.46 -0.79 0.60 0.00 -0.00 0.00 0.00 174.94 175.21 2diq n ALA 104 N 0.56 -1.58 -3.77 2.27 0.00 -1.26 -4.91 120.51 111.82 2diq n ALA 104 Ca -0.17 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 2diq n ALA 104 Cb 0.59 -2.58 -0.10 0.00 0.00 0.00 0.00 19.45 17.36 2diq n ALA 104 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2diq s SER 105 N -3.76 5.18 0.17 0.00 0.01 -1.26 -5.05 113.70 108.99 2diq s SER 105 Ca 0.42 -3.25 0.00 0.00 1.31 0.00 0.00 55.95 54.43 2diq s SER 105 Cb -0.23 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2diq s SER 105 CO 0.92 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.93 2diq n GLY 106 N 2.90 -1.70 0.00 3.44 0.00 -1.26 -3.99 105.19 104.58 2diq n GLY 106 Ca 0.12 -1.35 0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.69 0.39 -3.23 1.61 -0.04 -1.26 -4.43 135.00 125.35 2diq n PRO 107 Ca 0.00 0.05 -0.46 0.00 -0.04 0.00 0.00 63.50 63.05 2diq n PRO 107 Cb 0.31 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 2diq n PRO 107 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2diq s SER 108 N -2.20 6.50 -0.88 3.54 0.01 -1.26 -5.00 113.70 114.42 2diq s SER 108 Ca 0.20 -2.16 -0.25 0.00 1.31 0.00 0.00 55.95 55.05 2diq s SER 108 Cb 0.10 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 64.11 2diq s SER 108 CO 0.20 -0.80 1.49 -0.94 0.41 0.00 0.00 173.24 173.59 2diq s SER 109 N 2.96 6.12 0.00 2.44 1.04 -1.26 -4.76 113.70 120.25 2diq s SER 109 Ca 0.15 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2diq s SER 109 Cb -0.17 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2diq s SER 109 CO -0.03 -1.84 0.00 0.61 0.98 0.00 0.00 173.24 172.96