#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 7.25 -1.16 1.61 0.15 -1.26 -3.47 113.70 116.82 2diq s SER 2 Ca 0.00 1.93 -0.05 0.00 0.70 0.00 0.00 55.95 58.53 2diq s SER 2 Cb 0.00 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2diq s SER 2 CO 0.00 -0.30 1.00 -1.20 1.20 0.00 0.00 173.24 173.93 2diq n SER 3 N 3.32 -4.48 -0.10 5.45 7.64 -1.26 -4.67 113.62 119.51 2diq n SER 3 Ca 0.06 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.43 2diq n SER 3 Cb 0.48 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 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 -1.58 -3.30 3.37 0.23 0.00 -1.23 -4.79 105.19 97.90 2diq n GLY 4 Ca -0.09 -0.94 -0.52 0.00 0.00 0.00 0.00 46.02 44.48 2diq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2diq n SER 5 N -0.39 1.03 0.13 1.61 2.88 -1.26 -4.81 113.62 112.81 2diq n SER 5 Ca 0.00 0.42 -0.13 0.00 -1.33 0.00 0.00 58.87 57.84 2diq n SER 5 Cb 0.00 -1.02 -0.08 0.00 -0.75 0.00 0.00 64.21 62.36 2diq n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2diq h SER 6 N 11.12 -0.30 0.00 -3.46 0.02 -1.86 -3.50 113.55 115.57 2diq h SER 6 Ca -0.13 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2diq h SER 6 Cb 1.36 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.98 2diq h SER 6 CO 1.15 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 177.54 2diq n GLY 7 N -0.18 -0.66 3.37 -3.77 0.00 -1.26 -5.16 105.19 97.53 2diq n GLY 7 Ca -0.09 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 2diq n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2diq s ARG 8 N -0.95 1.35 0.38 1.61 3.52 -1.26 -5.12 118.95 118.48 2diq s ARG 8 Ca 0.00 -1.31 -0.05 0.00 -0.13 0.00 0.00 55.73 54.24 2diq s ARG 8 Cb 0.00 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.54 2diq s ARG 8 CO 0.00 0.43 0.65 -1.12 -0.81 0.00 0.00 175.30 174.45 2diq s SER 9 N -2.02 6.37 -0.00 -2.12 0.01 -1.26 -4.97 113.70 109.71 2diq s SER 9 Ca 0.13 0.77 -0.25 0.00 1.31 0.00 0.00 55.95 57.91 2diq s SER 9 Cb -0.10 -2.17 -0.18 0.00 0.21 0.00 0.00 66.02 63.78 2diq s SER 9 CO 0.06 -0.36 1.27 -0.07 0.41 0.00 0.00 173.24 174.54 2diq h LEU 10 N 0.98 -0.17 -1.36 2.44 3.38 -2.01 -1.07 115.31 117.50 2diq h LEU 10 Ca -0.48 -0.29 0.28 0.00 0.09 0.00 0.00 57.88 57.48 2diq h LEU 10 Cb 1.20 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 2diq h LEU 10 CO 0.63 0.23 0.68 1.56 0.09 0.00 0.00 178.44 181.63 2diq h GLN 11 N -0.59 0.36 0.02 1.13 4.20 -1.99 0.14 115.11 118.38 2diq h GLN 11 Ca -0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2diq h GLN 11 Cb 0.45 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2diq h GLN 11 CO 0.03 0.24 -0.01 1.25 -0.67 0.00 0.00 178.83 179.67 2diq h LEU 12 N 0.37 -0.02 -0.99 1.46 5.85 -1.95 -2.98 115.31 117.04 2diq h LEU 12 Ca 0.61 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.69 2diq h LEU 12 Cb 1.60 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 42.45 2diq h LEU 12 CO -0.31 0.06 0.33 -0.78 -0.34 0.00 0.00 178.44 177.39 2diq h ASP 13 N -0.16 -0.01 -0.55 1.25 1.82 -0.97 1.58 116.42 119.39 2diq h ASP 13 Ca -0.00 0.27 -0.05 0.00 -0.39 0.00 0.00 57.03 56.85 2diq h ASP 13 Cb 0.02 0.35 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 2diq h ASP 13 CO 0.00 -0.39 0.16 0.50 -1.61 0.00 0.00 179.24 177.90 2diq h LYS 14 N 0.02 0.91 -0.22 0.28 3.11 -0.85 -2.10 116.57 117.72 2diq h LYS 14 Ca 0.74 -0.19 -0.12 0.00 -2.81 0.00 0.00 60.65 58.27 2diq h LYS 14 Cb 1.79 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 32.89 2diq h LYS 14 CO -0.83 0.81 -0.34 1.25 -2.81 0.00 0.00 179.45 177.53 2diq h LEU 15 N 0.88 0.68 -0.33 5.20 5.85 0.23 -2.69 115.31 125.13 2diq h LEU 15 Ca 0.19 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2diq h LEU 15 Cb 0.29 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2diq h LEU 15 CO -0.00 1.07 0.14 0.58 -0.34 0.00 0.00 178.44 179.89 2diq h VAL 16 N 0.32 0.94 -0.42 1.05 2.07 -0.73 -1.55 116.25 117.93 2diq h VAL 16 Ca 0.02 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2diq h VAL 16 Cb 0.93 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2diq h VAL 16 CO 0.08 0.05 0.27 -1.13 0.02 0.00 0.00 177.57 176.87 2diq h ASN 17 N 0.30 0.47 0.47 0.57 -1.24 -1.41 -1.55 115.58 113.18 2diq h ASN 17 Ca 0.14 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 2diq h ASN 17 Cb 0.09 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2diq h ASN 17 CO -0.13 0.34 -0.37 -0.33 -1.29 0.00 0.00 177.43 175.65 2diq h GLU 18 N 0.56 -0.78 -0.06 6.67 4.39 -1.12 -0.48 114.58 123.77 2diq h GLU 18 Ca 0.16 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.93 2diq h GLU 18 Cb -0.05 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 2diq h GLU 18 CO -0.04 -0.52 -0.32 0.52 -1.16 0.00 0.00 179.01 177.49 2diq h MET 19 N -0.81 -0.35 -0.04 2.33 2.86 -1.26 -2.38 114.93 115.28 2diq h MET 19 Ca -0.06 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2diq h MET 19 Cb 0.67 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2diq h MET 19 CO 0.01 -0.23 -0.04 1.15 1.06 0.00 0.00 176.91 178.85 2diq h THR 20 N -0.36 0.00 -1.66 2.22 2.02 -1.29 0.45 112.91 114.28 2diq h THR 20 Ca 0.02 0.00 0.48 0.00 0.77 0.00 0.00 66.41 67.68 2diq h THR 20 Cb 0.41 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 2diq h THR 20 CO -0.25 0.00 1.20 0.00 0.37 0.00 0.00 175.52 176.84 2diq n GLN 21 N -2.98 0.00 0.00 6.66 6.02 -0.19 0.83 117.38 127.72 2diq n GLN 21 Ca -0.00 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 2diq n GLN 21 Cb 0.03 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.19 2diq n GLN 21 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2diq n HIS 22 N -3.60 0.00 -0.24 1.08 -0.00 0.11 -4.24 115.22 108.33 2diq n HIS 22 Ca 0.37 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.57 2diq n HIS 22 Cb 1.69 -0.14 0.10 0.00 -0.12 0.00 0.00 29.99 31.53 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 -0.25 -1.43 1.57 0.05 0.39 0.27 116.97 117.56 2diq h TYR 23 Ca 0.00 0.06 0.49 0.00 0.05 0.00 0.00 58.73 59.33 2diq h TYR 23 Cb 0.00 0.22 -0.14 0.00 1.01 0.00 0.00 36.73 37.83 2diq h TYR 23 CO 0.00 -0.28 0.93 1.05 -1.05 0.00 0.00 178.16 178.82 2diq h GLU 24 N 0.04 0.00 -1.69 4.88 4.11 0.25 0.61 114.58 122.78 2diq h GLU 24 Ca 0.36 -0.00 -0.63 0.00 0.07 0.00 0.00 59.36 59.16 2diq h GLU 24 Cb 0.58 -0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.45 2diq h GLU 24 CO -0.69 0.00 -0.30 0.27 0.07 0.00 0.00 179.01 178.36 2diq n ASN 25 N -4.68 5.36 -3.92 3.06 0.23 0.94 -5.01 115.26 111.23 2diq n ASN 25 Ca 0.41 -3.74 -0.10 0.00 -0.53 0.00 0.00 54.58 50.62 2diq n ASN 25 Cb 1.61 -0.61 -0.10 0.00 -2.08 0.00 0.00 39.78 38.60 2diq n ASN 25 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2diq s SER 26 N -2.96 0.14 0.55 0.53 0.01 0.21 -4.99 113.70 107.18 2diq s SER 26 Ca 0.49 -0.39 -0.18 0.00 1.31 0.00 0.00 55.95 57.18 2diq s SER 26 Cb 0.40 0.17 -0.06 0.00 0.21 0.00 0.00 66.02 66.74 2diq s SER 26 CO -0.23 -0.38 1.07 0.68 0.41 0.00 0.00 173.24 174.79 2diq s VAL 27 N -1.72 3.61 -0.19 3.43 -7.23 -1.26 -4.97 120.40 112.08 2diq s VAL 27 Ca -0.13 0.90 -0.29 0.00 -1.81 0.00 0.00 61.98 60.65 2diq s VAL 27 Cb -0.07 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.48 2diq s VAL 27 CO -0.01 -0.32 1.58 -2.16 -0.31 0.00 0.00 175.10 173.89 2diq s PRO 28 N -3.60 3.90 0.06 4.82 0.04 -1.26 -4.99 135.00 133.96 2diq s PRO 28 Ca 0.67 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 2diq s PRO 28 Cb -0.18 -4.00 -0.06 0.00 0.04 0.00 0.00 34.50 30.30 2diq s PRO 28 CO 0.29 -1.17 0.68 -1.21 0.04 0.00 0.00 177.00 175.64 2diq s GLU 29 N 4.46 4.40 -0.72 4.56 0.41 -1.26 -5.02 118.70 125.53 2diq s GLU 29 Ca 0.70 0.93 -0.19 0.00 -0.41 0.00 0.00 54.97 56.00 2diq s GLU 29 Cb -0.26 -3.31 0.12 0.00 -1.78 0.00 0.00 34.13 28.90 2diq s GLU 29 CO 0.28 0.43 0.86 -0.51 -0.49 0.00 0.00 175.26 175.83 2diq s ASP 30 N -0.51 6.38 0.16 -0.19 1.01 -1.26 -4.66 116.67 117.60 2diq s ASP 30 Ca 0.34 -1.72 0.10 0.00 0.71 0.00 0.00 52.55 51.98 2diq s ASP 30 Cb -0.20 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2diq s ASP 30 CO 0.21 -1.07 -0.23 -1.48 0.21 0.00 0.00 175.17 172.82 2diq s LEU 31 N 2.50 2.39 -0.45 1.23 2.34 -1.26 -5.11 118.68 120.33 2diq s LEU 31 Ca 0.19 -0.81 -0.21 0.00 0.06 0.00 0.00 54.13 53.36 2diq s LEU 31 Cb -0.16 -1.05 0.03 0.00 -0.56 0.00 0.00 46.19 44.44 2diq s LEU 31 CO 0.00 0.09 0.68 -0.89 -1.06 0.00 0.00 176.35 175.17 2diq s THR 32 N -1.56 4.77 0.14 5.48 2.01 -1.26 -5.02 115.64 120.21 2diq s THR 32 Ca 0.16 0.15 0.09 0.00 0.31 0.00 0.00 61.69 62.40 2diq s THR 32 Cb -0.08 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2diq s THR 32 CO 0.07 -0.66 -0.13 0.54 -0.69 0.00 0.00 174.62 173.76 2diq s VAL 33 N 2.95 3.06 0.10 3.82 0.11 -1.26 -5.14 120.40 124.04 2diq s VAL 33 Ca 0.24 -1.55 0.02 0.00 -2.93 0.00 0.00 61.98 57.76 2diq s VAL 33 Cb -0.14 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 2diq s VAL 33 CO 0.19 0.01 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.90 2diq s HIS 34 N -1.41 0.92 -0.34 1.54 3.76 -1.26 -5.06 115.29 113.43 2diq s HIS 34 Ca 0.22 -0.85 -0.35 0.00 -0.15 0.00 0.00 55.06 53.93 2diq s HIS 34 Cb -0.10 -0.52 -0.12 0.00 1.11 0.00 0.00 32.58 32.95 2diq s HIS 34 CO 0.13 -0.11 2.17 1.55 -0.85 0.00 0.00 174.74 177.63 2diq n VAL 35 N 0.11 0.19 0.00 -0.90 3.14 -1.26 -1.00 118.33 118.61 2diq n VAL 35 Ca -0.13 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 2diq n VAL 35 Cb 0.60 -1.62 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 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 6.48 1.26 3.88 7.55 0.00 0.40 -4.89 105.19 119.88 2diq n GLY 36 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.42 6.54 -0.15 1.61 1.01 -0.17 -4.85 116.67 119.24 2diq s ASP 37 Ca 0.00 0.91 -0.07 0.00 0.71 0.00 0.00 52.55 54.10 2diq s ASP 37 Cb 0.00 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 2diq s ASP 37 CO 0.00 -0.21 0.09 -0.63 0.21 0.00 0.00 175.17 174.64 2diq s ILE 38 N -2.07 5.09 0.37 0.77 -1.09 -1.26 -2.11 121.20 120.91 2diq s ILE 38 Ca 0.47 0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.84 2diq s ILE 38 Cb -0.11 -3.25 0.04 0.00 -1.58 0.00 0.00 42.46 37.56 2diq s ILE 38 CO 0.27 0.54 0.69 0.68 -1.23 0.00 0.00 174.94 175.88 2diq s VAL 39 N -0.34 0.00 -0.09 2.92 -7.23 -1.10 -4.46 120.40 110.11 2diq s VAL 39 Ca 0.10 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.05 2diq s VAL 39 Cb -0.12 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 2diq s VAL 39 CO 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.81 2diq s ALA 40 N -2.54 3.28 -0.07 1.32 0.00 0.76 -1.85 121.76 122.68 2diq s ALA 40 Ca 0.20 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 2diq s ALA 40 Cb -0.04 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2diq s ALA 40 CO 0.15 0.56 0.18 0.00 0.00 0.00 0.00 175.76 176.64 2diq s ALA 41 N -0.78 -0.45 1.04 0.00 0.00 -1.21 -0.98 121.76 119.38 2diq s ALA 41 Ca 0.12 0.50 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 2diq s ALA 41 Cb -0.11 -0.29 0.21 0.00 0.00 0.00 0.00 23.12 22.93 2diq s ALA 41 CO 0.02 -0.09 1.10 -1.25 0.00 0.00 0.00 175.76 175.54 2diq s PRO 42 N 0.05 0.06 -0.14 0.00 0.04 -1.26 -0.50 135.00 133.26 2diq s PRO 42 Ca -0.00 0.39 -0.00 0.00 0.04 0.00 0.00 61.00 61.43 2diq s PRO 42 Cb -0.01 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.85 2diq s PRO 42 CO 0.00 -2.95 -0.08 -1.17 0.04 0.00 0.00 177.00 172.85 2diq s LEU 43 N -6.57 1.45 0.46 -3.56 2.96 0.57 -4.79 118.68 109.20 2diq s LEU 43 Ca 0.66 -0.48 0.31 0.00 -0.22 0.00 0.00 54.13 54.40 2diq s LEU 43 Cb -0.17 -0.92 1.29 0.00 0.50 0.00 0.00 46.19 46.88 2diq s LEU 43 CO 0.57 -0.14 1.91 1.55 -1.32 0.00 0.00 176.35 178.93 2diq h PRO 44 N 8.13 0.00 0.02 0.98 0.13 -1.96 1.53 132.00 140.84 2diq h PRO 44 Ca -0.29 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.63 2diq h PRO 44 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2diq h PRO 44 CO 0.42 0.00 -1.18 1.79 -0.23 0.00 0.00 178.00 178.81 2diq h THR 45 N 0.00 1.02 0.05 1.56 1.35 -1.97 -3.42 112.91 111.50 2diq h THR 45 Ca 0.00 -2.24 -0.36 0.00 -0.55 0.00 0.00 66.41 63.26 2diq h THR 45 Cb 0.44 2.46 -0.04 0.00 -1.73 0.00 0.00 68.15 69.28 2diq h THR 45 CO 0.00 0.45 -2.04 -3.20 -0.25 0.00 0.00 175.52 170.47 2diq n ASN 46 N -4.32 2.01 -0.04 5.36 2.85 -1.21 -5.03 115.26 114.88 2diq n ASN 46 Ca -0.28 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2diq n ASN 46 Cb 0.71 -0.77 0.00 0.00 1.24 0.00 0.00 39.78 40.96 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2diq n GLY 47 N 1.82 1.32 3.20 8.20 0.00 0.52 -5.02 105.19 115.24 2diq n GLY 47 Ca -0.39 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.13 0.21 0.09 1.61 0.01 -1.23 -4.79 113.70 107.46 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 0.32 -0.07 0.00 0.21 0.00 0.00 66.02 66.48 2diq s SER 48 CO 0.00 -0.73 0.70 0.26 0.41 0.00 0.00 173.24 173.89 2diq s TRP 49 N -3.91 3.80 -0.02 2.43 0.52 -1.26 -0.32 118.94 120.19 2diq s TRP 49 Ca 0.10 1.45 0.00 0.00 0.02 0.00 0.00 56.10 57.66 2diq s TRP 49 Cb 0.06 -2.70 0.02 0.00 -1.15 0.00 0.00 33.47 29.70 2diq s TRP 49 CO -0.08 0.43 0.02 0.71 0.02 0.00 0.00 176.95 178.06 2diq s TYR 50 N -0.67 0.04 -0.20 -1.98 2.02 0.35 -4.58 117.35 112.32 2diq s TYR 50 Ca 0.34 0.09 -0.33 0.00 -0.37 0.00 0.00 57.07 56.81 2diq s TYR 50 Cb -0.21 -0.20 -0.10 0.00 -0.40 0.00 0.00 41.96 41.06 2diq s TYR 50 CO 0.22 -0.07 2.08 0.54 -1.57 0.00 0.00 175.55 176.75 2diq n ARG 51 N 3.94 1.79 -4.41 -0.62 1.74 -1.26 -3.28 116.66 114.55 2diq n ARG 51 Ca -0.24 0.57 -0.23 0.00 -0.77 0.00 0.00 57.85 57.18 2diq n ARG 51 Cb 0.52 -2.77 -0.10 0.00 -1.02 0.00 0.00 32.46 29.08 2diq n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diq s ALA 52 N 6.35 2.44 -0.21 7.54 0.00 -0.77 -2.37 121.76 134.74 2diq s ALA 52 Ca 1.00 -1.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 2diq s ALA 52 Cb -0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 2diq s ALA 52 CO 0.46 0.24 -0.00 0.50 0.00 0.00 0.00 175.76 176.95 2diq s ARG 53 N -3.33 3.56 0.20 0.00 3.52 0.19 -2.70 118.95 120.39 2diq s ARG 53 Ca 0.25 -0.54 -0.31 0.00 -0.13 0.00 0.00 55.73 55.00 2diq s ARG 53 Cb -0.04 -3.08 -0.10 0.00 -1.56 0.00 0.00 34.95 30.17 2diq s ARG 53 CO 0.11 -0.05 1.50 0.08 -0.81 0.00 0.00 175.30 176.13 2diq s VAL 54 N 1.15 2.65 -0.12 7.11 1.01 -0.90 0.16 120.40 131.47 2diq s VAL 54 Ca 0.03 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.60 2diq s VAL 54 Cb -0.14 -3.32 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 2diq s VAL 54 CO 0.01 0.06 0.23 0.18 0.00 0.00 0.00 175.10 175.58 2diq n LEU 55 N 3.16 0.12 0.00 3.92 4.77 0.22 0.15 117.00 129.34 2diq n LEU 55 Ca 0.10 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 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 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2diq n GLY 56 N 1.77 -0.12 3.10 -0.72 0.00 -1.25 -4.68 105.19 103.29 2diq n GLY 56 Ca -0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 2diq n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2diq s THR 57 N -0.53 0.68 0.50 2.61 2.01 -1.26 -3.39 115.64 116.26 2diq s THR 57 Ca 0.00 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.76 2diq s THR 57 Cb 0.00 -0.86 0.10 0.00 0.01 0.00 0.00 72.50 71.75 2diq s THR 57 CO 0.00 -0.42 0.69 0.18 -0.69 0.00 0.00 174.62 174.37 2diq n LEU 58 N 1.20 0.00 0.23 4.42 4.77 0.75 -4.78 117.00 123.59 2diq n LEU 58 Ca -0.21 -1.55 0.12 0.00 -0.03 0.00 0.00 56.01 54.34 2diq n LEU 58 Cb 0.55 -0.43 0.39 0.00 -2.33 0.00 0.00 43.42 41.60 2diq n LEU 58 CO 0.22 -0.81 0.83 -0.08 -1.33 0.00 0.00 177.39 176.21 2diq h GLU 59 N 0.00 0.00 0.08 3.23 4.22 -2.02 -3.20 114.58 116.88 2diq h GLU 59 Ca -0.23 0.00 -0.34 0.00 0.08 0.00 0.00 59.36 58.88 2diq h GLU 59 Cb 0.87 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2diq h GLU 59 CO 0.26 0.12 -1.87 0.27 -2.18 0.00 0.00 179.01 175.60 2diq n ASN 60 N -3.19 1.63 0.00 1.04 6.94 -1.26 -5.00 115.26 115.42 2diq n ASN 60 Ca 0.02 0.30 0.00 0.00 -0.02 0.00 0.00 54.58 54.88 2diq n ASN 60 Cb 0.46 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 2diq n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2diq n GLY 61 N 1.82 2.66 3.33 4.83 0.00 -1.21 -5.14 105.19 111.48 2diq n GLY 61 Ca -0.26 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2diq n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2diq n ASN 62 N 0.00 -2.21 -4.49 1.61 4.13 -1.26 -4.34 115.26 108.69 2diq n ASN 62 Ca 0.00 0.01 -0.35 0.00 1.68 0.00 0.00 54.58 55.92 2diq n ASN 62 Cb 0.00 -1.05 -0.12 0.00 -1.54 0.00 0.00 39.78 37.07 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 -1.69 3.42 -0.51 3.41 1.43 -0.82 -0.18 118.68 123.75 2diq s LEU 63 Ca 0.57 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 53.27 2diq s LEU 63 Cb -0.15 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2diq s LEU 63 CO 0.66 0.07 1.92 -0.62 0.23 0.00 0.00 176.35 178.62 2diq s ASP 64 N 0.96 5.34 0.16 2.29 2.15 -1.22 -3.37 116.67 122.98 2diq s ASP 64 Ca 0.02 0.75 -0.07 0.00 0.43 0.00 0.00 52.55 53.68 2diq s ASP 64 Cb -0.14 -2.52 -0.06 0.00 -0.30 0.00 0.00 42.92 39.89 2diq s ASP 64 CO 0.02 -2.24 0.42 -0.76 -0.17 0.00 0.00 175.17 172.44 2diq s LEU 65 N 8.84 4.25 -0.30 -1.34 1.43 -0.19 0.73 118.68 132.10 2diq s LEU 65 Ca 0.75 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 2diq s LEU 65 Cb -0.16 -3.36 0.07 0.00 0.03 0.00 0.00 46.19 42.77 2diq s LEU 65 CO 0.25 0.04 -0.03 -0.47 0.23 0.00 0.00 176.35 176.38 2diq s TYR 66 N -1.66 3.45 -0.66 0.29 5.04 0.43 -0.76 117.35 123.48 2diq s TYR 66 Ca 0.41 -2.50 -0.26 0.00 -2.44 0.00 0.00 57.07 52.29 2diq s TYR 66 Cb -0.12 -2.36 -0.12 0.00 0.35 0.00 0.00 41.96 39.71 2diq s TYR 66 CO 0.23 -0.90 2.45 1.19 -1.34 0.00 0.00 175.55 177.18 2diq n PHE 67 N 4.41 1.17 0.25 4.97 3.01 -0.68 0.54 117.46 131.12 2diq n PHE 67 Ca -0.07 0.12 0.14 0.00 1.01 0.00 0.00 57.45 58.65 2diq n PHE 67 Cb 0.42 -2.48 0.52 0.00 -0.01 0.00 0.00 39.48 37.93 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 7.71 0.21 0.21 -4.37 -1.51 -1.74 1.87 116.25 118.63 2diq h VAL 68 Ca -0.14 -0.83 -0.30 0.00 -1.23 0.00 0.00 66.70 64.19 2diq h VAL 68 Cb 1.21 1.69 0.03 0.00 -2.13 0.00 0.00 31.29 32.08 2diq h VAL 68 CO 1.19 0.09 -1.36 0.44 -1.23 0.00 0.00 177.57 176.69 2diq h ASP 69 N 0.00 0.69 0.00 4.19 3.32 -1.80 1.55 116.42 124.38 2diq h ASP 69 Ca -0.00 -0.93 -0.41 0.00 0.02 0.00 0.00 57.03 55.72 2diq h ASP 69 Cb 0.68 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 2diq h ASP 69 CO 0.01 1.65 -2.35 0.49 -1.72 0.00 0.00 179.24 177.32 2diq n PHE 70 N -3.81 0.00 0.00 4.55 3.01 -1.18 -2.64 117.46 117.38 2diq n PHE 70 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2diq n PHE 70 Cb 1.02 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 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 1.44 1.03 1.83 1.37 0.00 0.63 -4.72 105.19 106.78 2diq n GLY 71 Ca -0.48 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 2diq n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2diq n ASP 72 N 0.00 -3.08 -4.32 1.61 8.00 -1.25 -4.50 116.55 113.01 2diq n ASP 72 Ca 0.00 -0.46 -0.28 0.00 0.71 0.00 0.00 54.79 54.76 2diq n ASP 72 Cb 0.00 -0.55 -0.14 0.00 -0.02 0.00 0.00 41.12 40.41 2diq n ASP 72 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2diq s ASN 73 N -2.47 2.92 0.32 -2.24 -0.87 -1.26 -1.69 114.94 109.65 2diq s ASN 73 Ca 0.35 -0.60 0.04 0.00 -1.57 0.00 0.00 52.86 51.08 2diq s ASN 73 Cb -0.06 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.25 40.90 2diq s ASN 73 CO 0.30 0.20 0.19 -0.83 -2.57 0.00 0.00 177.10 174.38 2diq s GLY 74 N -1.40 2.17 -0.27 0.66 0.00 0.06 -4.93 107.32 103.61 2diq s GLY 74 Ca 0.10 -1.77 -0.16 0.00 0.00 0.00 0.00 44.72 42.90 2diq s GLY 74 CO 0.03 -1.58 0.66 0.51 0.00 0.00 0.00 173.10 172.72 2diq s ASP 75 N -3.39 -0.88 -0.08 1.64 1.47 -1.26 -1.02 116.67 113.15 2diq s ASP 75 Ca 0.36 1.44 -0.30 0.00 1.18 0.00 0.00 52.55 55.23 2diq s ASP 75 Cb 0.04 1.32 0.11 0.00 -0.34 0.00 0.00 42.92 44.05 2diq s ASP 75 CO 0.20 -0.23 0.89 0.00 0.68 0.00 0.00 175.17 176.70 2diq s PRO 77 N -1.86 4.31 0.33 0.00 0.04 -1.26 -1.95 135.00 134.60 2diq s PRO 77 Ca -0.01 2.00 0.10 0.00 0.04 0.00 0.00 61.00 63.13 2diq s PRO 77 Cb -0.01 -2.96 0.99 0.00 0.04 0.00 0.00 34.50 32.57 2diq s PRO 77 CO -0.01 -0.15 1.61 1.25 0.04 0.00 0.00 177.00 179.74 2diq h LEU 78 N 3.21 0.07 -1.28 -3.56 6.46 -1.93 1.24 115.31 119.52 2diq h LEU 78 Ca -0.48 0.24 0.07 0.00 -0.12 0.00 0.00 57.88 57.58 2diq h LEU 78 Cb 1.23 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 41.41 2diq h LEU 78 CO 0.65 -0.29 0.52 0.07 -0.62 0.00 0.00 178.44 178.77 2diq h LYS 79 N 0.11 0.84 0.00 1.25 5.09 -1.91 0.19 116.57 122.14 2diq h LYS 79 Ca 0.69 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 61.38 2diq h LYS 79 Cb 1.61 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 33.75 2diq h LYS 79 CO -0.75 0.55 0.00 -0.25 -2.09 0.00 0.00 179.45 176.91 2diq n ASP 80 N -4.49 0.00 -4.95 7.07 8.00 0.42 -4.32 116.55 118.29 2diq n ASP 80 Ca 0.12 0.07 -0.24 0.00 0.71 0.00 0.00 54.79 55.45 2diq n ASP 80 Cb 0.22 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.71 4.23 0.02 0.64 1.43 0.67 -4.42 118.68 118.55 2diq s LEU 81 Ca 0.23 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2diq s LEU 81 Cb 0.19 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2diq s LEU 81 CO 0.47 -0.09 -0.06 -0.13 0.23 0.00 0.00 176.35 176.77 2diq s ARG 82 N -3.72 0.42 0.17 1.70 1.81 -0.16 -4.22 118.95 114.95 2diq s ARG 82 Ca 0.37 -0.52 -0.31 0.00 -1.72 0.00 0.00 55.73 53.55 2diq s ARG 82 Cb -0.10 -0.23 -0.09 0.00 -0.45 0.00 0.00 34.95 34.08 2diq s ARG 82 CO 0.30 0.04 1.45 0.00 -0.68 0.00 0.00 175.30 176.41 2diq s ALA 83 N -0.94 3.65 -0.45 2.13 0.00 -1.26 -0.17 121.76 124.72 2diq s ALA 83 Ca -0.07 1.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 2diq s ALA 83 Cb -0.07 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.52 2diq s ALA 83 CO -0.00 -0.68 1.07 -1.17 0.00 0.00 0.00 175.76 174.98 2diq s LEU 84 N 0.62 3.77 0.59 0.00 2.96 -1.26 -4.75 118.68 120.60 2diq s LEU 84 Ca 0.64 0.46 -0.20 0.00 -0.22 0.00 0.00 54.13 54.81 2diq s LEU 84 Cb -0.40 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 42.81 2diq s LEU 84 CO 0.35 -1.14 1.33 -0.13 -1.32 0.00 0.00 176.35 175.44 2diq s ARG 85 N 4.15 2.89 0.30 1.98 0.52 -1.26 -4.80 118.95 122.72 2diq s ARG 85 Ca 0.45 2.16 0.05 0.00 -0.52 0.00 0.00 55.73 57.87 2diq s ARG 85 Cb -0.09 -2.08 0.74 0.00 0.52 0.00 0.00 34.95 34.04 2diq s ARG 85 CO 0.28 -1.36 1.73 1.03 0.02 0.00 0.00 175.30 177.00 2diq h SER 86 N 1.07 0.54 -0.69 0.23 0.87 -1.99 0.45 113.55 114.04 2diq h SER 86 Ca -0.51 0.13 0.20 0.00 -1.23 0.00 0.00 61.79 60.38 2diq h SER 86 Cb 1.32 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 2diq h SER 86 CO 0.55 0.12 0.49 -0.78 -0.53 0.00 0.00 176.83 176.68 2diq h ASP 87 N 0.55 0.01 1.29 6.23 3.58 -2.01 0.58 116.42 126.64 2diq h ASP 87 Ca 0.57 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.02 2diq h ASP 87 Cb 1.01 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2diq h ASP 87 CO -0.46 0.00 -0.54 -0.26 -2.88 0.00 0.00 179.24 175.11 2diq h PHE 88 N 0.01 0.00 0.00 0.28 0.04 -0.45 -3.28 116.94 113.53 2diq h PHE 88 Ca 0.33 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.05 2diq h PHE 88 Cb 1.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 2diq h PHE 88 CO -0.00 0.00 -0.81 -0.07 -0.60 0.00 0.00 178.31 176.83 2diq h LEU 89 N 0.00 0.00 -1.73 1.54 3.38 0.46 -3.33 115.31 115.63 2diq h LEU 89 Ca 0.00 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.31 2diq h LEU 89 Cb 0.91 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 2diq h LEU 89 CO 0.00 0.15 1.01 -1.28 0.09 0.00 0.00 178.44 178.41 2diq h SER 90 N 0.00 0.00 -3.26 -0.43 0.87 -1.15 -3.38 113.55 106.21 2diq h SER 90 Ca -0.03 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.95 2diq h SER 90 Cb 1.14 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.05 2diq h SER 90 CO 0.01 0.00 -0.06 -0.22 -0.53 0.00 0.00 176.83 176.03 2diq s LEU 91 N -7.54 4.41 0.77 2.23 0.20 -1.25 -5.07 118.68 112.43 2diq s LEU 91 Ca -0.04 1.09 -0.11 0.00 0.69 0.00 0.00 54.13 55.76 2diq s LEU 91 Cb 0.20 -2.83 0.05 0.00 -0.43 0.00 0.00 46.19 43.18 2diq s LEU 91 CO 0.68 0.14 1.09 -2.16 -0.29 0.00 0.00 176.35 175.81 2diq s PRO 92 N -0.29 2.28 -0.25 0.98 0.04 -1.26 -4.94 135.00 131.55 2diq s PRO 92 Ca 0.29 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 2diq s PRO 92 Cb -0.18 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2diq s PRO 92 CO 0.16 -1.63 1.67 -0.06 0.04 0.00 0.00 177.00 177.18 2diq s PHE 93 N -2.87 2.01 0.05 0.56 0.08 -1.26 -4.89 117.98 111.65 2diq s PHE 93 Ca 0.62 0.55 -0.22 0.00 0.12 0.00 0.00 56.93 57.99 2diq s PHE 93 Cb -0.17 -4.05 -0.14 0.00 -0.57 0.00 0.00 43.02 38.09 2diq s PHE 93 CO 0.55 -2.96 1.48 1.96 -0.10 0.00 0.00 175.22 176.15 2diq h GLN 94 N 11.38 0.18 -5.65 0.44 1.08 -1.77 -3.40 115.11 117.37 2diq h GLN 94 Ca -0.34 -0.05 -0.63 0.00 -1.45 0.00 0.00 58.65 56.17 2diq h GLN 94 Cb 1.16 -0.02 -0.14 0.00 -0.05 0.00 0.00 27.48 28.43 2diq h GLN 94 CO 1.01 0.42 0.34 0.00 -0.95 0.00 0.00 178.83 179.65 2diq s ALA 95 N -5.01 3.28 -0.00 3.87 0.00 0.53 -4.96 121.76 119.46 2diq s ALA 95 Ca -0.14 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 2diq s ALA 95 Cb 0.05 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2diq s ALA 95 CO 0.70 -2.04 0.09 0.42 0.00 0.00 0.00 175.76 174.93 2diq s ILE 96 N 3.31 4.81 0.81 0.00 -1.09 -1.26 -4.54 121.20 123.24 2diq s ILE 96 Ca 0.27 -0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 58.17 2diq s ILE 96 Cb -0.13 -3.21 0.20 0.00 -1.58 0.00 0.00 42.46 37.74 2diq s ILE 96 CO 0.20 0.34 0.73 -0.62 -1.23 0.00 0.00 174.94 174.36 2diq n GLU 97 N 1.14 -2.36 -0.85 2.79 1.02 -1.26 -4.97 120.64 116.15 2diq n GLU 97 Ca -0.13 -1.17 -0.34 0.00 -0.02 0.00 0.00 57.16 55.50 2diq n GLU 97 Cb 0.53 -1.08 0.10 0.00 -0.02 0.00 0.00 31.44 30.97 2diq n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2diq n SER 99 N -0.09 -2.67 -4.72 0.00 7.64 -1.26 -4.99 113.62 107.53 2diq n SER 99 Ca 0.04 -0.19 -0.25 0.00 1.01 0.00 0.00 58.87 59.48 2diq n SER 99 Cb 0.55 -0.81 0.10 0.00 -1.01 0.00 0.00 64.21 63.04 2diq n SER 99 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2diq s LEU 100 N 0.93 2.91 -1.40 -3.43 0.05 -1.26 -4.40 118.68 112.08 2diq s LEU 100 Ca 0.45 0.10 -0.10 0.00 0.05 0.00 0.00 54.13 54.64 2diq s LEU 100 Cb -0.06 -2.59 0.03 0.00 -2.05 0.00 0.00 46.19 41.53 2diq s LEU 100 CO 0.55 -1.81 1.10 0.00 -0.55 0.00 0.00 176.35 175.64 2diq n ALA 101 N -2.96 -1.37 -0.02 1.48 0.00 -1.26 -4.89 120.51 111.50 2diq n ALA 101 Ca 0.11 0.30 0.07 0.00 0.00 0.00 0.00 53.44 53.92 2diq n ALA 101 Cb 0.60 -4.92 -0.14 0.00 0.00 0.00 0.00 19.45 14.99 2diq n ALA 101 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2diq n ARG 102 N -4.84 0.65 -4.36 0.00 3.00 -1.26 -5.00 116.66 104.85 2diq n ARG 102 Ca -0.01 -0.15 -0.25 0.00 -0.00 0.00 0.00 57.85 57.45 2diq n ARG 102 Cb 0.56 -1.44 -0.09 0.00 0.00 0.00 0.00 32.46 31.49 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 -3.16 2.53 -0.01 5.15 -0.00 -1.26 -5.14 121.20 119.30 2diq s ILE 103 Ca -0.07 -1.98 -0.02 0.00 -0.00 0.00 0.00 60.65 58.58 2diq s ILE 103 Cb 0.11 -2.80 -0.04 0.00 -0.00 0.00 0.00 42.46 39.73 2diq s ILE 103 CO 0.76 -0.18 0.12 0.00 -0.00 0.00 0.00 174.94 175.65 2diq s ALA 104 N -2.54 3.75 0.29 2.27 0.00 -1.26 -5.11 121.76 119.16 2diq s ALA 104 Ca 0.35 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 2diq s ALA 104 Cb 0.01 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 2diq s ALA 104 CO 0.19 0.71 0.46 -1.12 0.00 0.00 0.00 175.76 176.01 2diq s SER 105 N -1.78 0.38 1.25 0.00 0.01 -1.26 -5.17 113.70 107.13 2diq s SER 105 Ca 0.24 -1.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.09 2diq s SER 105 Cb -0.12 0.62 0.29 0.00 0.21 0.00 0.00 66.02 67.01 2diq s SER 105 CO 0.15 -1.22 0.64 0.61 0.41 0.00 0.00 173.24 173.84 2diq n GLY 106 N -0.46 -3.08 3.73 3.44 0.00 -1.26 -4.90 105.19 102.67 2diq n GLY 106 Ca -0.01 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.29 4.38 0.24 1.61 0.04 -1.26 -4.96 135.00 130.75 2diq s PRO 107 Ca 0.50 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 63.27 2diq s PRO 107 Cb -0.09 -3.21 -0.12 0.00 0.04 0.00 0.00 34.50 31.12 2diq s PRO 107 CO 0.42 -0.29 1.60 0.43 0.04 0.00 0.00 177.00 179.20 2diq n SER 108 N 2.95 3.60 -4.72 6.66 7.64 -1.26 -4.94 113.62 123.55 2diq n SER 108 Ca 0.07 1.11 -0.35 0.00 1.01 0.00 0.00 58.87 60.71 2diq n SER 108 Cb 0.43 -1.53 0.08 0.00 -1.01 0.00 0.00 64.21 62.18 2diq n SER 108 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diq s SER 109 N 0.75 4.34 0.00 6.43 1.04 -1.26 -5.31 113.70 119.68 2diq s SER 109 Ca 0.71 2.45 0.00 0.00 0.48 0.00 0.00 55.95 59.59 2diq s SER 109 Cb -0.55 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 62.97 2diq s SER 109 CO 0.42 -2.17 0.00 0.61 0.98 0.00 0.00 173.24 173.07