#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diq n SER 2 N 0.00 0.18 -4.62 1.61 7.64 -1.26 -4.90 113.62 112.27 2diq n SER 2 Ca 0.00 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 2diq n SER 2 Cb 0.00 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 2diq n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diq s SER 3 N -5.20 6.06 -0.50 6.43 1.04 -1.26 -3.19 113.70 117.08 2diq s SER 3 Ca 0.00 1.63 -0.02 0.00 0.48 0.00 0.00 55.95 58.04 2diq s SER 3 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2diq s SER 3 CO 0.00 -1.52 0.44 0.61 0.98 0.00 0.00 173.24 173.75 2diq n GLY 4 N 5.11 -0.04 0.46 7.32 0.00 -1.26 -4.95 105.19 111.83 2diq n GLY 4 Ca 0.22 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.56 -1.72 -6.20 1.61 0.02 -1.89 -3.44 113.55 101.36 2diq h SER 5 Ca -0.28 0.21 -0.47 0.00 -0.84 0.00 0.00 61.79 60.41 2diq h SER 5 Cb 1.15 0.69 -0.28 0.00 0.14 0.00 0.00 62.40 64.09 2diq h SER 5 CO 0.21 -0.46 -0.69 -1.54 -1.14 0.00 0.00 176.83 173.21 2diq n SER 6 N -5.42 -1.21 0.00 3.07 3.41 -1.26 -4.70 113.62 107.51 2diq n SER 6 Ca -0.05 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 2diq n SER 6 Cb 0.37 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2diq n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2diq n GLY 7 N -1.02 -1.24 2.93 5.00 0.00 -1.26 -5.15 105.19 104.45 2diq n GLY 7 Ca 0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 2diq n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2diq s ARG 8 N -0.11 0.27 0.54 1.61 0.52 -1.26 -5.10 118.95 115.42 2diq s ARG 8 Ca 0.00 0.54 -0.20 0.00 -0.52 0.00 0.00 55.73 55.55 2diq s ARG 8 Cb 0.00 -0.51 -0.06 0.00 0.52 0.00 0.00 34.95 34.91 2diq s ARG 8 CO 0.00 -0.54 1.16 -1.12 0.02 0.00 0.00 175.30 174.81 2diq s SER 9 N 2.48 5.65 0.15 0.23 0.01 -1.26 -4.73 113.70 116.23 2diq s SER 9 Ca 0.08 2.25 -0.21 0.00 1.31 0.00 0.00 55.95 59.38 2diq s SER 9 Cb -0.15 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.53 2diq s SER 9 CO -0.13 -1.27 1.65 -0.07 0.41 0.00 0.00 173.24 173.83 2diq h LEU 10 N 1.25 -0.60 -0.95 2.44 3.38 -2.01 0.16 115.31 118.98 2diq h LEU 10 Ca -0.50 0.12 0.19 0.00 0.09 0.00 0.00 57.88 57.78 2diq h LEU 10 Cb 1.27 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 42.21 2diq h LEU 10 CO 0.57 -0.22 0.53 1.56 0.09 0.00 0.00 178.44 180.97 2diq h GLN 11 N -0.17 0.62 0.00 1.13 4.20 -1.99 0.12 115.11 119.03 2diq h GLN 11 Ca 0.14 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2diq h GLN 11 Cb 0.39 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2diq h GLN 11 CO -0.36 0.41 0.00 -0.11 -0.67 0.00 0.00 178.83 178.10 2diq n LEU 12 N -4.86 0.01 -0.36 1.46 7.94 -0.38 -2.30 117.00 118.51 2diq n LEU 12 Ca 0.22 0.66 0.34 0.00 -1.11 0.00 0.00 56.01 56.12 2diq n LEU 12 Cb 0.58 -0.50 0.61 0.00 0.53 0.00 0.00 43.42 44.63 2diq n LEU 12 CO 0.19 -0.50 1.09 -0.67 -1.11 0.00 0.00 177.39 176.39 2diq n ASP 13 N -2.00 0.30 -0.09 1.96 2.03 0.42 0.14 116.55 119.31 2diq n ASP 13 Ca 0.00 1.55 -0.11 0.00 0.52 0.00 0.00 54.79 56.75 2diq n ASP 13 Cb 0.00 -0.76 -0.04 0.00 -0.72 0.00 0.00 41.12 39.60 2diq n ASP 13 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2diq h LYS 14 N 0.00 0.49 -0.54 -0.67 3.11 -0.84 -1.85 116.57 116.26 2diq h LYS 14 Ca 0.84 -0.17 -0.08 0.00 -2.81 0.00 0.00 60.65 58.43 2diq h LYS 14 Cb 2.38 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 33.55 2diq h LYS 14 CO -0.67 0.67 0.00 1.25 -2.81 0.00 0.00 179.45 177.89 2diq h LEU 15 N 0.26 0.90 0.07 5.20 5.85 0.16 -2.04 115.31 125.71 2diq h LEU 15 Ca 0.07 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2diq h LEU 15 Cb 0.46 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2diq h LEU 15 CO 0.02 0.96 -0.03 0.58 -0.34 0.00 0.00 178.44 179.62 2diq h VAL 16 N 0.85 1.02 0.35 1.05 2.07 -0.73 -2.49 116.25 118.37 2diq h VAL 16 Ca 0.16 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2diq h VAL 16 Cb 0.50 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2diq h VAL 16 CO 0.02 0.08 -0.24 -1.13 0.02 0.00 0.00 177.57 176.32 2diq h ASN 17 N -0.23 -0.62 -0.22 0.57 -1.24 -1.27 -2.39 115.58 110.18 2diq h ASN 17 Ca -0.01 0.04 0.03 0.00 0.71 0.00 0.00 56.30 57.07 2diq h ASN 17 Cb 0.20 0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.40 2diq h ASN 17 CO 0.02 -0.38 -0.30 -0.33 -1.29 0.00 0.00 177.43 175.15 2diq h GLU 18 N -0.58 -0.21 -0.02 6.67 5.08 -1.37 0.71 114.58 124.86 2diq h GLU 18 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2diq h GLU 18 Cb 0.49 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2diq h GLU 18 CO 0.01 -0.14 -0.02 0.52 -1.00 0.00 0.00 179.01 178.38 2diq h MET 19 N -0.21 -0.01 -0.01 2.33 2.86 -1.42 -1.74 114.93 116.71 2diq h MET 19 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2diq h MET 19 Cb 0.32 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2diq h MET 19 CO -0.32 -0.01 -0.01 1.15 1.06 0.00 0.00 176.91 178.78 2diq h THR 20 N -0.01 0.00 -1.25 2.22 2.02 -1.23 0.51 112.91 115.18 2diq h THR 20 Ca 0.00 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.58 2diq h THR 20 Cb 0.02 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.34 2diq h THR 20 CO -0.03 0.00 0.84 0.00 0.37 0.00 0.00 175.52 176.70 2diq n GLN 21 N -2.93 -0.02 0.00 6.66 1.13 0.23 0.76 117.38 123.20 2diq n GLN 21 Ca -0.00 0.94 0.00 0.00 -1.94 0.00 0.00 57.00 56.00 2diq n GLN 21 Cb 0.01 -1.94 0.00 0.00 0.11 0.00 0.00 30.24 28.41 2diq n GLN 21 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2diq n HIS 22 N -3.99 0.00 -0.25 1.08 -0.00 0.15 -4.13 115.22 108.07 2diq n HIS 22 Ca 0.33 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.50 2diq n HIS 22 Cb 1.35 -0.20 0.06 0.00 -0.12 0.00 0.00 29.99 31.08 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 -0.61 -1.28 1.57 0.05 0.24 0.33 116.97 117.26 2diq h TYR 23 Ca 0.00 0.07 0.44 0.00 0.05 0.00 0.00 58.73 59.29 2diq h TYR 23 Cb 0.00 0.38 -0.12 0.00 1.01 0.00 0.00 36.73 38.00 2diq h TYR 23 CO 0.00 -0.35 0.83 -0.85 -1.05 0.00 0.00 178.16 176.74 2diq n GLU 24 N -5.48 -0.03 -1.76 4.88 0.28 0.23 0.22 120.64 118.98 2diq n GLU 24 Ca 0.08 1.13 -0.33 0.00 -0.16 0.00 0.00 57.16 57.88 2diq n GLU 24 Cb 0.38 -2.24 0.05 0.00 1.43 0.00 0.00 31.44 31.06 2diq n GLU 24 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2diq n ASN 25 N -4.47 6.72 -3.93 -1.84 0.23 0.12 -4.98 115.26 107.11 2diq n ASN 25 Ca 0.37 -3.79 -0.22 0.00 -0.53 0.00 0.00 54.58 50.41 2diq n ASN 25 Cb 1.45 -0.80 -0.09 0.00 -2.08 0.00 0.00 39.78 38.26 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 -2.23 2.12 0.11 0.53 0.01 0.59 -5.03 113.70 109.79 2diq s SER 26 Ca 0.57 -1.64 0.01 0.00 1.31 0.00 0.00 55.95 56.20 2diq s SER 26 Cb 0.46 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 67.11 2diq s SER 26 CO -0.12 -0.94 0.25 0.68 0.41 0.00 0.00 173.24 173.52 2diq s VAL 27 N -3.40 5.35 -0.32 3.43 -7.23 -1.26 -5.04 120.40 111.93 2diq s VAL 27 Ca 0.32 -0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.67 2diq s VAL 27 Cb 0.03 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 33.27 2diq s VAL 27 CO 0.18 0.02 1.68 -2.16 -0.31 0.00 0.00 175.10 174.51 2diq s PRO 28 N -2.88 3.50 -0.12 4.82 0.04 -1.26 -4.98 135.00 134.12 2diq s PRO 28 Ca 0.35 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.56 2diq s PRO 28 Cb -0.12 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 2diq s PRO 28 CO 0.28 -1.66 0.63 -1.21 0.04 0.00 0.00 177.00 175.09 2diq s GLU 29 N 5.27 4.35 -0.69 4.56 2.02 -1.26 -5.00 118.70 127.95 2diq s GLU 29 Ca 0.74 0.71 -0.21 0.00 0.02 0.00 0.00 54.97 56.24 2diq s GLU 29 Cb -0.21 -3.49 0.09 0.00 0.10 0.00 0.00 34.13 30.63 2diq s GLU 29 CO 0.32 -0.01 0.91 -0.51 0.02 0.00 0.00 175.26 175.99 2diq s ASP 30 N 0.88 6.27 0.13 -0.19 1.01 -1.26 -4.70 116.67 118.81 2diq s ASP 30 Ca 0.32 -1.35 0.10 0.00 0.71 0.00 0.00 52.55 52.32 2diq s ASP 30 Cb -0.16 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2diq s ASP 30 CO 0.14 -1.25 -0.23 -1.48 0.21 0.00 0.00 175.17 172.55 2diq s LEU 31 N 3.30 2.33 -0.50 1.23 2.34 -1.26 -5.10 118.68 121.02 2diq s LEU 31 Ca 0.20 -0.74 -0.28 0.00 0.06 0.00 0.00 54.13 53.38 2diq s LEU 31 Cb -0.17 -1.03 0.03 0.00 -0.56 0.00 0.00 46.19 44.46 2diq s LEU 31 CO 0.05 0.10 1.08 -0.89 -1.06 0.00 0.00 176.35 175.63 2diq s THR 32 N -1.25 4.25 -0.03 5.48 2.01 -1.26 -5.02 115.64 119.83 2diq s THR 32 Ca 0.11 0.96 0.06 0.00 0.31 0.00 0.00 61.69 63.13 2diq s THR 32 Cb -0.09 -4.59 -0.02 0.00 0.01 0.00 0.00 72.50 67.81 2diq s THR 32 CO 0.06 -1.05 -0.19 0.54 -0.69 0.00 0.00 174.62 173.29 2diq s VAL 33 N 4.35 2.66 0.21 3.82 0.11 -1.26 -5.14 120.40 125.15 2diq s VAL 33 Ca 0.43 -0.93 0.10 0.00 -2.93 0.00 0.00 61.98 58.65 2diq s VAL 33 Cb -0.08 -2.01 -0.05 0.00 -1.53 0.00 0.00 36.38 32.71 2diq s VAL 33 CO 0.28 0.55 -0.19 -1.00 -3.33 0.00 0.00 175.10 171.41 2diq s HIS 34 N -0.72 2.05 -0.29 1.54 3.76 -1.26 -5.06 115.29 115.32 2diq s HIS 34 Ca 0.11 -0.42 -0.37 0.00 -0.15 0.00 0.00 55.06 54.24 2diq s HIS 34 Cb -0.10 -0.96 -0.13 0.00 1.11 0.00 0.00 32.58 32.50 2diq s HIS 34 CO 0.01 0.50 2.02 1.55 -0.85 0.00 0.00 174.74 177.96 2diq n VAL 35 N -0.12 0.28 0.00 -0.90 3.14 -1.26 -1.41 118.33 118.06 2diq n VAL 35 Ca -0.09 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2diq n VAL 35 Cb 0.58 -1.55 0.00 0.00 -1.06 0.00 0.00 33.84 31.81 2diq n VAL 35 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2diq n GLY 36 N 5.58 1.47 3.84 7.55 0.00 0.31 -4.90 105.19 119.04 2diq n GLY 36 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.20 5.59 -0.16 1.61 1.11 -0.50 -4.79 116.67 118.33 2diq s ASP 37 Ca 0.00 1.53 -0.03 0.00 0.18 0.00 0.00 52.55 54.23 2diq s ASP 37 Cb 0.00 -2.45 -0.02 0.00 1.07 0.00 0.00 42.92 41.51 2diq s ASP 37 CO 0.00 -1.30 -0.05 -0.63 1.18 0.00 0.00 175.17 174.38 2diq s ILE 38 N -3.10 3.74 0.18 0.77 -1.09 -1.26 -2.39 121.20 118.06 2diq s ILE 38 Ca 0.57 -0.41 -0.11 0.00 -2.23 0.00 0.00 60.65 58.47 2diq s ILE 38 Cb -0.13 -2.64 -0.00 0.00 -1.58 0.00 0.00 42.46 38.11 2diq s ILE 38 CO 0.55 0.49 0.35 0.68 -1.23 0.00 0.00 174.94 175.78 2diq s VAL 39 N 0.47 0.05 -0.02 2.92 -7.23 -1.10 -4.30 120.40 111.19 2diq s VAL 39 Ca -0.04 -1.27 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 2diq s VAL 39 Cb -0.14 -1.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 2diq s VAL 39 CO 0.03 -0.22 0.32 0.00 -0.31 0.00 0.00 175.10 174.92 2diq s ALA 40 N -3.95 3.77 -0.11 1.32 0.00 0.57 -2.13 121.76 121.22 2diq s ALA 40 Ca 0.16 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 2diq s ALA 40 Cb 0.02 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.94 2diq s ALA 40 CO 0.00 0.55 0.28 0.00 0.00 0.00 0.00 175.76 176.59 2diq s ALA 41 N -1.13 -0.70 1.06 0.00 0.00 -1.20 -1.09 121.76 118.71 2diq s ALA 41 Ca 0.23 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 2diq s ALA 41 Cb -0.15 -0.49 0.22 0.00 0.00 0.00 0.00 23.12 22.70 2diq s ALA 41 CO 0.12 -0.14 1.10 -1.25 0.00 0.00 0.00 175.76 175.58 2diq s PRO 42 N 0.27 -0.10 -0.17 0.00 0.04 -1.26 -0.77 135.00 133.01 2diq s PRO 42 Ca -0.01 0.34 0.01 0.00 0.04 0.00 0.00 61.00 61.38 2diq s PRO 42 Cb -0.03 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.84 2diq s PRO 42 CO -0.01 -3.05 -0.19 -1.17 0.04 0.00 0.00 177.00 172.62 2diq s LEU 43 N -6.62 2.06 0.00 -3.56 2.96 0.13 -4.82 118.68 108.84 2diq s LEU 43 Ca 0.67 -0.62 0.15 0.00 -0.22 0.00 0.00 54.13 54.11 2diq s LEU 43 Cb -0.16 -1.43 0.83 0.00 0.50 0.00 0.00 46.19 45.93 2diq s LEU 43 CO 0.57 -0.00 1.38 -0.81 -1.32 0.00 0.00 176.35 176.17 2diq n PRO 44 N 4.60 0.34 -0.10 0.98 -0.04 -1.26 0.20 135.00 139.72 2diq n PRO 44 Ca -0.20 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.16 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 1.16 -0.08 0.52 -2.24 -1.26 -4.78 114.28 106.45 2diq n THR 45 Ca 0.09 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 2diq n THR 45 Cb 0.09 -1.41 -0.09 0.00 -2.10 0.00 0.00 70.33 66.81 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 -3.39 2.23 -0.26 3.42 3.02 -1.16 -5.05 115.26 114.06 2diq n ASN 46 Ca -0.38 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 2diq n ASN 46 Cb 0.85 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 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 2.46 0.96 3.08 7.41 0.00 0.52 -4.98 105.19 114.65 2diq n GLY 47 Ca -0.27 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.49 0.89 -0.02 1.61 0.01 -1.25 -4.72 113.70 107.73 2diq s SER 48 Ca 0.00 -0.67 -0.26 0.00 1.31 0.00 0.00 55.95 56.34 2diq s SER 48 Cb 0.00 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 2diq s SER 48 CO 0.00 -0.28 0.80 0.26 0.41 0.00 0.00 173.24 174.43 2diq s TRP 49 N -1.97 3.64 -0.02 2.43 0.52 -1.26 -0.69 118.94 121.60 2diq s TRP 49 Ca -0.05 1.44 0.02 0.00 0.02 0.00 0.00 56.10 57.53 2diq s TRP 49 Cb -0.06 -2.90 0.00 0.00 -1.15 0.00 0.00 33.47 29.36 2diq s TRP 49 CO -0.01 0.11 -0.07 0.71 0.02 0.00 0.00 176.95 177.71 2diq s TYR 50 N 0.62 0.74 -0.32 -1.98 1.51 0.05 -4.57 117.35 113.39 2diq s TYR 50 Ca 0.42 -0.16 -0.28 0.00 -1.01 0.00 0.00 57.07 56.04 2diq s TYR 50 Cb -0.19 -0.52 -0.06 0.00 -0.11 0.00 0.00 41.96 41.08 2diq s TYR 50 CO 0.22 -0.06 2.29 0.54 -1.11 0.00 0.00 175.55 177.44 2diq n ARG 51 N 3.16 1.59 -4.38 -0.62 1.74 -1.26 -3.22 116.66 113.68 2diq n ARG 51 Ca -0.16 0.34 -0.27 0.00 -0.77 0.00 0.00 57.85 56.99 2diq n ARG 51 Cb 0.56 -3.24 -0.11 0.00 -1.02 0.00 0.00 32.46 28.65 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 9.52 2.66 -0.20 7.54 0.00 -0.91 -1.37 121.76 139.01 2diq s ALA 52 Ca 1.01 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 2diq s ALA 52 Cb -0.33 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 2diq s ALA 52 CO 0.33 0.45 0.01 0.50 0.00 0.00 0.00 175.76 177.06 2diq s ARG 53 N -2.67 3.67 0.16 0.00 3.52 0.22 -2.71 118.95 121.14 2diq s ARG 53 Ca 0.22 -0.49 -0.32 0.00 -0.13 0.00 0.00 55.73 55.01 2diq s ARG 53 Cb -0.08 -3.09 -0.10 0.00 -1.56 0.00 0.00 34.95 30.11 2diq s ARG 53 CO 0.11 0.06 1.56 0.08 -0.81 0.00 0.00 175.30 176.30 2diq s VAL 54 N 0.89 2.66 -0.29 7.11 1.01 -1.00 0.15 120.40 130.92 2diq s VAL 54 Ca 0.01 0.47 0.10 0.00 0.00 0.00 0.00 61.98 62.56 2diq s VAL 54 Cb -0.14 -3.30 -0.13 0.00 0.00 0.00 0.00 36.38 32.81 2diq s VAL 54 CO 0.02 0.04 0.34 0.18 0.00 0.00 0.00 175.10 175.68 2diq n LEU 55 N 3.98 0.28 0.00 3.92 4.77 0.24 0.11 117.00 130.31 2diq n LEU 55 Ca 0.14 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 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 1.50 0.07 3.12 -0.72 0.00 -1.25 -4.75 105.19 103.16 2diq n GLY 56 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.98 0.65 0.50 2.61 2.01 -1.26 -3.47 115.64 115.70 2diq s THR 57 Ca 0.00 -1.51 0.03 0.00 0.31 0.00 0.00 61.69 60.52 2diq s THR 57 Cb 0.00 -1.16 0.09 0.00 0.01 0.00 0.00 72.50 71.45 2diq s THR 57 CO 0.00 -0.61 0.68 0.18 -0.69 0.00 0.00 174.62 174.18 2diq n LEU 58 N 0.71 0.00 0.13 4.42 4.77 0.33 -4.78 117.00 122.59 2diq n LEU 58 Ca -0.17 -1.68 0.13 0.00 -0.03 0.00 0.00 56.01 54.25 2diq n LEU 58 Cb 0.58 -0.41 0.37 0.00 -2.33 0.00 0.00 43.42 41.63 2diq n LEU 58 CO 0.25 -0.78 0.87 -0.08 -1.33 0.00 0.00 177.39 176.33 2diq h GLU 59 N 0.00 0.00 0.00 3.23 4.81 -2.02 -3.24 114.58 117.36 2diq h GLU 59 Ca -0.23 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.66 2diq h GLU 59 Cb 0.91 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.23 2diq h GLU 59 CO 0.27 0.00 -2.14 0.27 -0.73 0.00 0.00 179.01 176.68 2diq n ASN 60 N -2.43 0.42 0.00 1.04 6.94 -1.26 -5.01 115.26 114.95 2diq n ASN 60 Ca 0.05 0.15 0.00 0.00 -0.02 0.00 0.00 54.58 54.76 2diq n ASN 60 Cb 0.43 0.53 0.00 0.00 -2.36 0.00 0.00 39.78 38.39 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 1.70 4.64 3.22 4.83 0.00 -1.22 -5.13 105.19 113.22 2diq n GLY 61 Ca -0.28 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.51 -4.47 1.61 4.13 -1.26 -4.32 115.26 108.44 2diq n ASN 62 Ca 0.00 -0.10 -0.33 0.00 1.68 0.00 0.00 54.58 55.83 2diq n ASN 62 Cb 0.00 -0.87 -0.13 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 0.54 3.03 -0.61 3.41 1.43 -1.14 -0.51 118.68 124.83 2diq s LEU 63 Ca 0.52 -0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 53.17 2diq s LEU 63 Cb -0.07 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.47 2diq s LEU 63 CO 0.66 0.22 1.41 -0.62 0.23 0.00 0.00 176.35 178.26 2diq s ASP 64 N 0.03 6.07 0.13 2.29 -1.08 -1.23 -3.45 116.67 119.44 2diq s ASP 64 Ca -0.02 0.10 -0.04 0.00 -0.52 0.00 0.00 52.55 52.07 2diq s ASP 64 Cb -0.14 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.72 2diq s ASP 64 CO 0.03 -1.80 0.35 -0.76 0.52 0.00 0.00 175.17 173.52 2diq s LEU 65 N 6.23 4.28 -0.29 -1.34 1.43 0.14 0.82 118.68 129.94 2diq s LEU 65 Ca 0.49 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.16 2diq s LEU 65 Cb -0.10 -3.27 0.07 0.00 0.03 0.00 0.00 46.19 42.92 2diq s LEU 65 CO 0.22 0.07 -0.05 -0.47 0.23 0.00 0.00 176.35 176.35 2diq s TYR 66 N -1.64 3.41 -0.57 0.29 5.04 0.39 -0.01 117.35 124.26 2diq s TYR 66 Ca 0.40 -2.45 -0.27 0.00 -2.44 0.00 0.00 57.07 52.31 2diq s TYR 66 Cb -0.12 -2.25 -0.09 0.00 0.35 0.00 0.00 41.96 39.84 2diq s TYR 66 CO 0.25 -0.89 2.46 1.19 -1.34 0.00 0.00 175.55 177.22 2diq n PHE 67 N 4.41 1.30 0.37 4.97 3.72 0.22 0.71 117.46 133.17 2diq n PHE 67 Ca -0.09 0.16 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 2diq n PHE 67 Cb 0.42 -2.60 0.55 0.00 -0.94 0.00 0.00 39.48 36.91 2diq n PHE 67 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 2diq h VAL 68 N 7.75 0.00 0.10 -4.37 -1.51 -1.42 1.13 116.25 117.93 2diq h VAL 68 Ca -0.21 -0.30 -0.36 0.00 -1.23 0.00 0.00 66.70 64.60 2diq h VAL 68 Cb 1.27 1.10 -0.02 0.00 -2.13 0.00 0.00 31.29 31.51 2diq h VAL 68 CO 1.19 0.00 -2.01 0.47 -1.23 0.00 0.00 177.57 175.99 2diq n ASP 69 N -2.46 1.97 -0.11 4.19 8.00 -1.25 0.85 116.55 127.73 2diq n ASP 69 Ca 0.02 0.20 -0.20 0.00 0.71 0.00 0.00 54.79 55.52 2diq n ASP 69 Cb 0.25 -0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 40.55 2diq n ASP 69 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2diq n PHE 70 N -3.41 0.30 0.00 1.24 3.01 -1.13 -3.31 117.46 114.16 2diq n PHE 70 Ca -0.32 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2diq n PHE 70 Cb 1.05 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 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 1.38 3.06 3.39 1.37 0.00 0.39 -4.71 105.19 110.06 2diq n GLY 71 Ca -0.34 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.14 -0.29 -0.13 1.61 2.15 -1.26 -4.48 116.67 114.12 2diq s ASP 72 Ca 0.00 0.97 0.02 0.00 0.43 0.00 0.00 52.55 53.96 2diq s ASP 72 Cb 0.00 -1.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.21 2diq s ASP 72 CO 0.00 -4.91 -0.19 0.20 -0.17 0.00 0.00 175.17 170.10 2diq s ASN 73 N -3.13 3.37 0.33 -0.34 -0.87 -1.26 -0.61 114.94 112.44 2diq s ASN 73 Ca 0.69 -0.52 0.09 0.00 -1.57 0.00 0.00 52.86 51.54 2diq s ASN 73 Cb -0.15 -1.49 -0.04 0.00 -0.02 0.00 0.00 41.25 39.54 2diq s ASN 73 CO 0.59 0.11 0.10 -0.83 -2.57 0.00 0.00 177.10 174.50 2diq s GLY 74 N 0.64 1.91 -0.02 0.66 0.00 0.99 -4.93 107.32 106.57 2diq s GLY 74 Ca -0.10 -1.81 0.03 0.00 0.00 0.00 0.00 44.72 42.84 2diq s GLY 74 CO 0.02 -1.77 -0.12 0.51 0.00 0.00 0.00 173.10 171.75 2diq s ASP 75 N -3.80 1.43 -0.15 1.64 -4.77 -1.26 0.27 116.67 110.03 2diq s ASP 75 Ca 0.36 -0.22 -0.30 0.00 -3.30 0.00 0.00 52.55 49.09 2diq s ASP 75 Cb -0.03 -0.25 0.13 0.00 -1.09 0.00 0.00 42.92 41.68 2diq s ASP 75 CO 0.22 0.12 0.99 0.00 0.70 0.00 0.00 175.17 177.20 2diq s PRO 77 N -1.19 4.44 0.44 0.00 0.04 -1.26 -2.87 135.00 134.61 2diq s PRO 77 Ca -0.02 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.33 2diq s PRO 77 Cb -0.00 -3.09 1.30 0.00 0.04 0.00 0.00 34.50 32.74 2diq s PRO 77 CO 0.01 -0.05 1.73 1.25 0.04 0.00 0.00 177.00 179.98 2diq h LEU 78 N 3.50 0.29 -1.10 -3.56 6.46 -1.95 0.67 115.31 119.62 2diq h LEU 78 Ca -0.48 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 2diq h LEU 78 Cb 1.22 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.16 2diq h LEU 78 CO 0.66 -0.01 0.45 0.07 -0.62 0.00 0.00 178.44 178.99 2diq h LYS 79 N 0.22 1.07 -0.64 1.25 5.09 -1.90 -0.75 116.57 120.91 2diq h LYS 79 Ca 0.67 -0.10 0.00 0.00 0.09 0.00 0.00 60.65 61.30 2diq h LYS 79 Cb 2.03 -0.22 0.00 0.00 0.10 0.00 0.00 32.23 34.14 2diq h LYS 79 CO -0.27 0.76 0.00 -0.25 -2.09 0.00 0.00 179.45 177.60 2diq n ASP 80 N -4.37 1.81 -4.61 7.07 8.00 0.23 -4.09 116.55 120.60 2diq n ASP 80 Ca 0.08 -2.16 -0.29 0.00 0.71 0.00 0.00 54.79 53.13 2diq n ASP 80 Cb 0.08 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 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 -0.83 3.15 -0.03 0.64 1.43 -0.29 -4.10 118.68 118.66 2diq s LEU 81 Ca 0.14 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2diq s LEU 81 Cb 0.09 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.41 2diq s LEU 81 CO 0.06 0.17 -0.05 -0.13 0.23 0.00 0.00 176.35 176.63 2diq s ARG 82 N -2.32 0.64 -0.25 1.70 1.81 -0.25 -3.99 118.95 116.29 2diq s ARG 82 Ca 0.23 -0.13 -0.30 0.00 -1.72 0.00 0.00 55.73 53.81 2diq s ARG 82 Cb -0.11 -0.66 -0.06 0.00 -0.45 0.00 0.00 34.95 33.67 2diq s ARG 82 CO 0.15 -0.00 2.22 0.00 -0.68 0.00 0.00 175.30 176.99 2diq n ALA 83 N 3.61 1.64 -1.68 2.13 0.00 -1.26 -0.32 120.51 124.63 2diq n ALA 83 Ca -0.21 -0.22 -0.48 0.00 0.00 0.00 0.00 53.44 52.53 2diq n ALA 83 Cb 0.53 -2.85 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 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 11.41 3.52 -4.63 0.00 7.94 -1.26 -4.84 117.00 129.13 2diq n LEU 84 Ca 0.32 0.94 -0.30 0.00 -1.11 0.00 0.00 56.01 55.87 2diq n LEU 84 Cb 0.40 -1.39 0.18 0.00 0.53 0.00 0.00 43.42 43.14 2diq n LEU 84 CO 0.68 -0.04 0.63 -0.13 -1.11 0.00 0.00 177.39 177.43 2diq s ARG 85 N 4.22 0.59 0.18 1.96 0.52 -1.26 -4.89 118.95 120.27 2diq s ARG 85 Ca 0.93 1.20 -0.09 0.00 -0.52 0.00 0.00 55.73 57.25 2diq s ARG 85 Cb -0.66 -1.70 0.08 0.00 0.52 0.00 0.00 34.95 33.19 2diq s ARG 85 CO 0.50 -2.81 1.64 0.66 0.02 0.00 0.00 175.30 175.31 2diq h SER 86 N -1.98 1.04 -0.04 0.23 4.64 -1.99 -2.44 113.55 113.00 2diq h SER 86 Ca -0.49 -0.31 0.01 0.00 -0.47 0.00 0.00 61.79 60.53 2diq h SER 86 Cb 1.29 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2diq h SER 86 CO 0.47 1.10 0.05 -0.78 -0.87 0.00 0.00 176.83 176.80 2diq h ASP 87 N 0.96 0.00 0.98 4.97 3.58 -2.01 0.17 116.42 125.06 2diq h ASP 87 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2diq h ASP 87 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2diq h ASP 87 CO 0.03 0.00 -0.49 0.49 -2.88 0.00 0.00 179.24 176.39 2diq n PHE 88 N -3.79 0.61 0.23 0.28 3.72 -0.94 -3.63 117.46 113.95 2diq n PHE 88 Ca -0.02 0.18 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 2diq n PHE 88 Cb 0.14 -0.70 -0.02 0.00 -0.94 0.00 0.00 39.48 37.96 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 -2.12 0.61 0.07 4.37 4.77 0.51 -4.14 117.00 121.07 2diq n LEU 89 Ca 0.04 0.17 0.19 0.00 -0.03 0.00 0.00 56.01 56.37 2diq n LEU 89 Cb 0.43 -0.07 0.54 0.00 -2.33 0.00 0.00 43.42 42.00 2diq n LEU 89 CO 0.35 -0.08 1.17 -1.28 -1.33 0.00 0.00 177.39 176.21 2diq h SER 90 N 0.00 0.00 -3.14 -1.43 0.87 -1.40 -3.38 113.55 105.06 2diq h SER 90 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 2diq h SER 90 Cb 0.91 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 2diq h SER 90 CO 0.00 0.00 -0.23 -0.22 -0.53 0.00 0.00 176.83 175.85 2diq s LEU 91 N -6.41 4.36 0.64 2.23 0.20 -1.26 -5.07 118.68 113.37 2diq s LEU 91 Ca -0.03 0.79 -0.16 0.00 0.69 0.00 0.00 54.13 55.42 2diq s LEU 91 Cb 0.11 -2.53 -0.01 0.00 -0.43 0.00 0.00 46.19 43.33 2diq s LEU 91 CO 0.38 0.19 1.11 -2.16 -0.29 0.00 0.00 176.35 175.59 2diq s PRO 92 N -0.26 2.90 -0.15 0.98 0.04 -1.26 -4.93 135.00 132.33 2diq s PRO 92 Ca 0.22 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 2diq s PRO 92 Cb -0.15 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2diq s PRO 92 CO 0.10 -1.18 1.93 -0.06 0.04 0.00 0.00 177.00 177.84 2diq s PHE 93 N -2.23 1.52 0.06 0.56 0.08 -1.26 -4.88 117.98 111.83 2diq s PHE 93 Ca 0.68 0.24 -0.21 0.00 0.12 0.00 0.00 56.93 57.76 2diq s PHE 93 Cb -0.21 -4.05 -0.12 0.00 -0.57 0.00 0.00 43.02 38.07 2diq s PHE 93 CO 0.39 -4.13 1.51 1.96 -0.10 0.00 0.00 175.22 174.85 2diq h GLN 94 N 12.25 0.27 -4.68 0.44 1.08 -1.75 -3.40 115.11 119.31 2diq h GLN 94 Ca -0.41 -0.08 -0.69 0.00 -1.45 0.00 0.00 58.65 56.02 2diq h GLN 94 Cb 1.21 -0.03 -0.32 0.00 -0.05 0.00 0.00 27.48 28.29 2diq h GLN 94 CO 0.97 0.47 -0.64 0.00 -0.95 0.00 0.00 178.83 178.68 2diq s ALA 95 N -5.06 2.95 -0.14 3.87 0.00 0.25 -4.78 121.76 118.86 2diq s ALA 95 Ca -0.14 -1.92 -0.08 0.00 0.00 0.00 0.00 51.96 49.83 2diq s ALA 95 Cb 0.06 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 2diq s ALA 95 CO 0.71 -1.40 0.14 0.42 0.00 0.00 0.00 175.76 175.63 2diq s ILE 96 N 1.28 5.46 0.13 0.00 1.09 -1.26 -4.23 121.20 123.68 2diq s ILE 96 Ca -0.01 0.20 -0.30 0.00 -1.10 0.00 0.00 60.65 59.43 2diq s ILE 96 Cb -0.20 -3.40 -0.07 0.00 -1.06 0.00 0.00 42.46 37.72 2diq s ILE 96 CO -0.01 0.58 1.27 -0.70 -0.10 0.00 0.00 174.94 175.99 2diq s GLU 97 N -0.74 4.41 -0.24 2.79 2.12 -1.26 -4.91 118.70 120.87 2diq s GLU 97 Ca 0.13 1.93 -0.36 0.00 0.36 0.00 0.00 54.97 57.04 2diq s GLU 97 Cb -0.12 -3.26 -0.12 0.00 0.26 0.00 0.00 34.13 30.89 2diq s GLU 97 CO 0.03 -0.26 1.98 0.00 -0.54 0.00 0.00 175.26 176.46 2diq s SER 99 N 5.34 -0.23 0.89 0.00 1.04 -1.26 -5.15 113.70 114.33 2diq s SER 99 Ca 1.01 0.31 -0.13 0.00 0.48 0.00 0.00 55.95 57.62 2diq s SER 99 Cb -0.83 0.45 0.05 0.00 0.10 0.00 0.00 66.02 65.79 2diq s SER 99 CO 0.54 -0.27 0.67 -0.11 0.98 0.00 0.00 173.24 175.05 2diq n LEU 100 N 2.11 1.23 -4.17 2.42 7.94 -1.26 -4.95 117.00 120.32 2diq n LEU 100 Ca -0.17 0.42 -0.26 0.00 -1.11 0.00 0.00 56.01 54.89 2diq n LEU 100 Cb 0.57 -1.30 0.19 0.00 0.53 0.00 0.00 43.42 43.41 2diq n LEU 100 CO 0.19 -3.02 -0.07 0.00 -1.11 0.00 0.00 177.39 173.38 2diq n ALA 101 N -3.53 -2.88 -2.77 1.96 0.00 -1.26 -4.99 120.51 107.04 2diq n ALA 101 Ca 0.09 -1.31 -0.34 0.00 0.00 0.00 0.00 53.44 51.87 2diq n ALA 101 Cb 0.52 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 2diq n ALA 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2diq s ARG 102 N -3.83 3.10 -0.07 0.00 3.52 -1.26 -5.10 118.95 115.31 2diq s ARG 102 Ca 0.51 -0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 2diq s ARG 102 Cb -0.11 -2.89 0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2diq s ARG 102 CO 0.51 0.69 0.12 0.42 -0.81 0.00 0.00 175.30 176.23 2diq s ILE 103 N -1.07 -0.20 0.32 4.11 1.01 -1.26 -5.15 121.20 118.95 2diq s ILE 103 Ca 0.19 0.36 0.03 0.00 0.00 0.00 0.00 60.65 61.22 2diq s ILE 103 Cb -0.12 -0.26 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 2diq s ILE 103 CO 0.09 0.14 0.08 0.00 0.00 0.00 0.00 174.94 175.25 2diq s ALA 104 N 2.25 2.24 -0.24 9.38 0.00 -1.26 -5.14 121.76 128.99 2diq s ALA 104 Ca 0.04 -1.90 0.02 0.00 0.00 0.00 0.00 51.96 50.12 2diq s ALA 104 Cb -0.12 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.85 2diq s ALA 104 CO -0.05 -0.36 -0.10 0.45 0.00 0.00 0.00 175.76 175.71 2diq s SER 105 N -3.45 4.07 0.68 0.00 0.15 -1.26 -5.11 113.70 108.77 2diq s SER 105 Ca 0.35 -1.23 -0.17 0.00 0.70 0.00 0.00 55.95 55.60 2diq s SER 105 Cb 0.08 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 2diq s SER 105 CO 0.15 -0.19 1.22 0.61 1.20 0.00 0.00 173.24 176.23 2diq n GLY 106 N 4.55 0.31 3.29 9.45 0.00 -1.26 -5.00 105.19 116.52 2diq n GLY 106 Ca -0.14 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.04 -3.02 -4.38 1.61 -0.04 -1.26 -5.08 135.00 120.80 2diq n PRO 107 Ca 0.15 -1.64 -0.27 0.00 -0.04 0.00 0.00 63.50 61.70 2diq n PRO 107 Cb 0.48 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 2diq n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2diq s SER 108 N -4.27 3.72 -0.04 3.54 0.15 -1.26 -5.08 113.70 110.46 2diq s SER 108 Ca 0.67 -0.77 -0.06 0.00 0.70 0.00 0.00 55.95 56.49 2diq s SER 108 Cb -0.07 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.80 2diq s SER 108 CO 0.51 0.12 0.33 0.28 1.20 0.00 0.00 173.24 175.68 2diq h SER 109 N 3.11 -0.18 0.00 5.45 0.02 -2.07 -3.58 113.55 116.30 2diq h SER 109 Ca -0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2diq h SER 109 Cb 1.21 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2diq h SER 109 CO 0.50 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.91