#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3miq s VAL 3 N 0.00 3.72 -0.23 1.69 0.11 -1.26 -4.35 120.40 120.07 3miq s VAL 3 Ca 0.00 1.72 -0.22 0.00 -2.93 0.00 0.00 61.98 60.56 3miq s VAL 3 Cb 0.00 -4.10 0.06 0.00 -1.53 0.00 0.00 36.38 30.81 3miq s VAL 3 CO 0.00 0.41 0.62 -1.58 -3.33 0.00 0.00 175.10 171.22 3miq s GLN 4 N -1.31 0.73 -0.06 1.54 0.74 -0.48 -4.99 119.66 115.83 3miq s GLN 4 Ca 0.43 0.87 0.04 0.00 0.05 0.00 0.00 55.36 56.75 3miq s GLN 4 Cb -0.30 0.35 -0.00 0.00 1.10 0.00 0.00 33.01 34.17 3miq s GLN 4 CO 0.37 -0.09 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.32 3miq s LEU 5 N 0.34 1.94 -0.26 3.68 1.43 -1.26 -1.68 118.68 122.86 3miq s LEU 5 Ca -0.00 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3miq s LEU 5 Cb -0.04 -1.11 0.08 0.00 0.03 0.00 0.00 46.19 45.14 3miq s LEU 5 CO 0.01 0.16 0.06 -0.69 0.23 0.00 0.00 176.35 176.11 3miq s VAL 6 N 0.14 0.77 0.40 -1.59 1.01 -0.67 -4.05 120.40 116.42 3miq s VAL 6 Ca -0.08 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 3miq s VAL 6 Cb -0.14 -1.42 -0.11 0.00 0.00 0.00 0.00 36.38 34.72 3miq s VAL 6 CO 0.04 -0.44 0.91 -1.61 0.00 0.00 0.00 175.10 174.00 3miq s GLU 7 N 1.70 4.22 0.17 2.72 8.01 -1.26 -1.04 118.70 133.22 3miq s GLU 7 Ca 0.04 1.06 -0.13 0.00 0.01 0.00 0.00 54.97 55.95 3miq s GLU 7 Cb -0.17 -2.27 0.01 0.00 -4.31 0.00 0.00 34.13 27.39 3miq s GLU 7 CO -0.17 0.03 0.38 -1.54 0.01 0.00 0.00 175.26 173.97 3miq s SER 8 N -2.15 -0.09 0.00 -0.19 1.04 0.36 -4.71 113.70 107.96 3miq s SER 8 Ca 0.60 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.35 3miq s SER 8 Cb -0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3miq s SER 8 CO 0.14 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.03 3miq n GLY 9 N -0.26 1.37 3.73 7.32 0.00 -1.26 -1.08 105.19 115.01 3miq n GLY 9 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3miq n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3miq n GLY 10 N 0.00 0.58 3.65 -0.02 0.00 -1.26 -4.72 105.19 103.41 3miq n GLY 10 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 3miq n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3miq s ALA 11 N -1.37 -1.85 -0.09 4.61 0.00 -0.50 -4.87 121.76 117.68 3miq s ALA 11 Ca 0.81 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 53.10 3miq s ALA 11 Cb -0.39 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3miq s ALA 11 CO 0.41 -0.91 0.94 -1.17 0.00 0.00 0.00 175.76 175.04 3miq s LEU 12 N -2.76 4.27 0.04 0.00 2.96 -1.26 -1.72 118.68 120.21 3miq s LEU 12 Ca 0.10 1.47 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 3miq s LEU 12 Cb -0.00 -3.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 3miq s LEU 12 CO -0.03 -0.36 -0.05 0.68 -1.32 0.00 0.00 176.35 175.27 3miq s VAL 13 N 1.68 0.37 0.34 1.68 -7.23 0.13 -4.96 120.40 112.41 3miq s VAL 13 Ca 0.46 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 59.30 3miq s VAL 13 Cb -0.19 -0.66 -0.09 0.00 0.56 0.00 0.00 36.38 36.00 3miq s VAL 13 CO 0.19 -0.53 0.80 -1.10 -0.31 0.00 0.00 175.10 174.16 3miq s GLN 14 N -1.96 4.11 0.28 4.82 -0.21 -1.26 -1.97 119.66 123.47 3miq s GLN 14 Ca -0.09 0.84 -0.28 0.00 0.02 0.00 0.00 55.36 55.85 3miq s GLN 14 Cb -0.07 -2.43 -0.14 0.00 1.00 0.00 0.00 33.01 31.37 3miq s GLN 14 CO -0.02 0.14 0.93 -2.30 -2.12 0.00 0.00 175.29 171.92 3miq n PRO 15 N -0.28 1.14 -0.00 2.91 -0.02 -1.26 -0.61 135.00 136.87 3miq n PRO 15 Ca 0.04 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3miq n PRO 15 Cb 0.53 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3miq n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3miq n GLY 16 N 1.34 2.12 3.82 -1.23 0.00 0.12 -4.93 105.19 106.43 3miq n GLY 16 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3miq n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3miq s GLY 17 N -2.00 1.72 0.21 -0.02 0.00 0.22 -3.86 107.32 103.60 3miq s GLY 17 Ca 0.00 -1.16 0.09 0.00 0.00 0.00 0.00 44.72 43.65 3miq s GLY 17 CO 0.00 -0.33 -0.18 -0.56 0.00 0.00 0.00 173.10 172.03 3miq s SER 18 N -4.58 2.93 -0.13 1.64 0.01 -1.26 -2.14 113.70 110.17 3miq s SER 18 Ca 0.74 -0.96 -0.28 0.00 1.31 0.00 0.00 55.95 56.75 3miq s SER 18 Cb -0.05 -0.19 0.07 0.00 0.21 0.00 0.00 66.02 66.05 3miq s SER 18 CO 0.54 -0.05 0.68 -0.22 0.41 0.00 0.00 173.24 174.60 3miq s LEU 19 N -3.12 -0.65 -0.27 2.44 2.96 -0.71 -5.02 118.68 114.32 3miq s LEU 19 Ca 0.22 0.96 -0.00 0.00 -0.22 0.00 0.00 54.13 55.09 3miq s LEU 19 Cb -0.04 2.48 0.08 0.00 0.50 0.00 0.00 46.19 49.21 3miq s LEU 19 CO 0.09 -0.48 0.03 -0.60 -1.32 0.00 0.00 176.35 174.07 3miq s ARG 20 N -0.63 1.10 0.55 1.98 3.00 -1.26 -0.44 118.95 123.25 3miq s ARG 20 Ca -0.07 -1.01 -0.13 0.00 -1.00 0.00 0.00 55.73 53.52 3miq s ARG 20 Cb -0.02 -2.36 -0.06 0.00 0.00 0.00 0.00 34.95 32.51 3miq s ARG 20 CO 0.07 -0.78 0.97 -0.51 0.00 0.00 0.00 175.30 175.04 3miq s LEU 21 N 1.50 3.47 0.06 -0.88 1.43 -0.52 -4.75 118.68 118.99 3miq s LEU 21 Ca 0.02 1.41 -0.07 0.00 -1.03 0.00 0.00 54.13 54.47 3miq s LEU 21 Cb -0.18 -4.39 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 3miq s LEU 21 CO -0.13 -0.69 0.14 -0.94 0.23 0.00 0.00 176.35 174.95 3miq s SER 22 N -3.65 0.16 -0.03 2.29 1.04 -0.24 -1.32 113.70 111.95 3miq s SER 22 Ca 0.56 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 3miq s SER 22 Cb -0.10 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.32 3miq s SER 22 CO 0.42 -0.60 0.06 0.00 0.98 0.00 0.00 173.24 174.10 3miq s ALA 24 N 1.62 3.58 -0.11 0.00 0.00 -0.21 -1.40 121.76 125.25 3miq s ALA 24 Ca -0.02 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 3miq s ALA 24 Cb -0.12 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3miq s ALA 24 CO -0.03 -0.80 0.10 0.00 0.00 0.00 0.00 175.76 175.02 3miq s ALA 25 N 2.35 3.69 0.04 0.00 0.00 -0.76 -1.67 121.76 125.40 3miq s ALA 25 Ca 0.22 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.50 3miq s ALA 25 Cb -0.16 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 3miq s ALA 25 CO 0.10 0.60 -0.07 -1.54 0.00 0.00 0.00 175.76 174.84 3miq s SER 26 N -0.94 0.70 0.00 0.00 1.04 -0.68 -4.85 113.70 108.98 3miq s SER 26 Ca 0.14 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3miq s SER 26 Cb -0.12 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3miq s SER 26 CO 0.03 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3miq n GLY 27 N 1.52 0.40 3.48 7.32 0.00 -1.26 -1.38 105.19 115.28 3miq n GLY 27 Ca -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 3miq n GLY 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3miq s PHE 28 N -2.00 -0.41 -0.01 1.61 -0.71 -1.26 -4.61 117.98 110.58 3miq s PHE 28 Ca 0.00 0.31 -0.30 0.00 -1.04 0.00 0.00 56.93 55.90 3miq s PHE 28 Cb 0.00 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 3miq s PHE 28 CO 0.00 -0.62 1.05 -2.14 -1.34 0.00 0.00 175.22 172.17 3miq s PRO 29 N -3.10 4.49 0.00 1.99 0.02 -1.26 -4.89 135.00 132.25 3miq s PRO 29 Ca 0.03 1.52 0.16 0.00 0.02 0.00 0.00 61.00 62.72 3miq s PRO 29 Cb -0.01 -3.46 0.69 0.00 0.02 0.00 0.00 34.50 31.74 3miq s PRO 29 CO -0.09 -0.18 1.49 1.55 -0.33 0.00 0.00 177.00 179.45 3miq n VAL 30 N 4.08 0.86 -1.16 3.83 3.14 -1.26 -2.47 118.33 125.36 3miq n VAL 30 Ca 0.08 0.22 -0.06 0.00 -2.96 0.00 0.00 64.34 61.61 3miq n VAL 30 Cb 0.49 -0.95 0.26 0.00 -1.06 0.00 0.00 33.84 32.58 3miq n VAL 30 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3miq n ASN 31 N -1.46 4.00 0.00 6.55 6.94 -1.26 -4.19 115.26 125.83 3miq n ASN 31 Ca 0.04 -3.38 0.00 0.00 -0.02 0.00 0.00 54.58 51.22 3miq n ASN 31 Cb 0.17 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 3miq n ASN 31 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3miq n ARG 32 N -0.59 -0.36 -3.99 -3.83 5.12 -1.03 -4.73 116.66 107.24 3miq n ARG 32 Ca 0.40 -0.23 -0.10 0.00 -1.93 0.00 0.00 57.85 55.99 3miq n ARG 32 Cb 1.29 -0.71 -0.11 0.00 -1.16 0.00 0.00 32.46 31.77 3miq n ARG 32 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3miq s TYR 33 N -0.01 0.32 0.08 -1.55 1.51 -1.25 -4.87 117.35 111.57 3miq s TYR 33 Ca 0.00 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 3miq s TYR 33 Cb 0.00 -0.22 -0.06 0.00 -0.11 0.00 0.00 41.96 41.57 3miq s TYR 33 CO 0.00 -0.16 1.17 -1.54 -1.11 0.00 0.00 175.55 173.91 3miq s SER 34 N -1.38 7.13 -0.07 2.29 1.04 -1.26 -4.14 113.70 117.30 3miq s SER 34 Ca -0.14 2.01 -0.00 0.00 0.48 0.00 0.00 55.95 58.30 3miq s SER 34 Cb -0.09 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 3miq s SER 34 CO -0.01 -0.41 -0.04 -0.04 0.98 0.00 0.00 173.24 173.72 3miq s MET 35 N 0.79 2.85 0.10 4.02 1.00 -1.00 -4.48 119.30 122.58 3miq s MET 35 Ca 0.57 -0.49 0.04 0.00 0.00 0.00 0.00 55.69 55.81 3miq s MET 35 Cb -0.29 -2.68 -0.04 0.00 0.00 0.00 0.00 34.83 31.83 3miq s MET 35 CO 0.30 0.68 -0.11 1.03 0.00 0.00 0.00 175.02 176.92 3miq s ARG 36 N -0.86 0.87 -0.06 2.03 0.52 -0.68 -1.45 118.95 119.32 3miq s ARG 36 Ca 0.13 -1.16 0.04 0.00 -0.52 0.00 0.00 55.73 54.22 3miq s ARG 36 Cb -0.11 -0.62 -0.02 0.00 0.52 0.00 0.00 34.95 34.72 3miq s ARG 36 CO 0.02 0.10 -0.16 -1.58 0.02 0.00 0.00 175.30 173.70 3miq s TRP 37 N -2.30 2.66 0.38 -0.53 0.52 0.50 -1.06 118.94 119.11 3miq s TRP 37 Ca 0.05 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 55.92 3miq s TRP 37 Cb -0.04 -1.65 -0.07 0.00 -1.15 0.00 0.00 33.47 30.56 3miq s TRP 37 CO 0.01 0.06 0.02 0.71 0.02 0.00 0.00 176.95 177.77 3miq s TYR 38 N -0.49 2.34 -0.03 -1.98 2.02 0.20 -0.53 117.35 118.87 3miq s TYR 38 Ca 0.06 -0.75 -0.07 0.00 -0.37 0.00 0.00 57.07 55.94 3miq s TYR 38 Cb -0.12 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 3miq s TYR 38 CO 0.01 0.32 0.17 -0.98 -1.57 0.00 0.00 175.55 173.51 3miq s ARG 39 N -3.76 0.36 -0.20 -0.62 1.70 0.17 -1.31 118.95 115.30 3miq s ARG 39 Ca 0.35 -0.06 -0.00 0.00 -0.47 0.00 0.00 55.73 55.55 3miq s ARG 39 Cb 0.09 0.16 0.05 0.00 -0.57 0.00 0.00 34.95 34.68 3miq s ARG 39 CO 0.17 -0.07 -0.04 -1.14 -1.08 0.00 0.00 175.30 173.13 3miq s GLN 40 N -0.64 1.42 1.18 3.89 0.74 -0.15 -0.59 119.66 125.50 3miq s GLN 40 Ca -0.07 -0.71 -0.19 0.00 0.05 0.00 0.00 55.36 54.43 3miq s GLN 40 Cb -0.04 -2.29 0.28 0.00 1.10 0.00 0.00 33.01 32.06 3miq s GLN 40 CO 0.01 -0.53 1.14 0.00 -0.55 0.00 0.00 175.29 175.36 3miq s ALA 41 N 1.56 0.83 0.01 1.58 0.00 -1.26 -1.92 121.76 122.56 3miq s ALA 41 Ca -0.02 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 3miq s ALA 41 Cb -0.17 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3miq s ALA 41 CO -0.07 -3.46 1.07 -2.14 0.00 0.00 0.00 175.76 171.15 3miq s PRO 42 N -5.50 4.50 -1.35 0.00 0.02 -1.26 -3.33 135.00 128.08 3miq s PRO 42 Ca 0.72 1.55 -0.00 0.00 0.02 0.00 0.00 61.00 63.28 3miq s PRO 42 Cb -0.08 -3.43 -0.00 0.00 0.02 0.00 0.00 34.50 31.00 3miq s PRO 42 CO 0.55 -0.16 0.56 0.41 -0.33 0.00 0.00 177.00 178.04 3miq n GLY 43 N 3.04 -0.27 3.18 0.52 0.00 -1.26 -5.00 105.19 105.40 3miq n GLY 43 Ca 0.07 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 3miq n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3miq s LYS 44 N -6.24 1.01 0.32 1.61 1.02 -1.21 -5.14 119.74 111.09 3miq s LYS 44 Ca 0.01 -1.46 -0.27 0.00 0.02 0.00 0.00 55.97 54.27 3miq s LYS 44 Cb -0.00 0.26 -0.09 0.00 -0.52 0.00 0.00 37.83 37.47 3miq s LYS 44 CO 0.85 -0.30 1.03 -1.21 -0.92 0.00 0.00 175.35 174.79 3miq s GLU 45 N -4.06 4.53 0.22 1.68 2.02 -1.26 -4.59 118.70 117.24 3miq s GLU 45 Ca 0.27 1.58 -0.32 0.00 0.02 0.00 0.00 54.97 56.52 3miq s GLU 45 Cb 0.07 -2.94 -0.14 0.00 0.10 0.00 0.00 34.13 31.21 3miq s GLU 45 CO 0.04 0.18 1.31 -2.13 0.02 0.00 0.00 175.26 174.68 3miq n ARG 46 N 0.76 1.72 -4.87 1.61 0.63 -1.26 -4.63 116.66 110.61 3miq n ARG 46 Ca 0.01 0.61 -0.28 0.00 -0.92 0.00 0.00 57.85 57.27 3miq n ARG 46 Cb 0.48 -2.20 -0.17 0.00 0.45 0.00 0.00 32.46 31.01 3miq n ARG 46 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3miq s GLU 47 N -0.44 2.31 0.21 -0.14 2.12 0.24 -4.96 118.70 118.04 3miq s GLU 47 Ca 0.69 -0.62 -0.30 0.00 0.36 0.00 0.00 54.97 55.10 3miq s GLU 47 Cb -0.72 -1.81 -0.08 0.00 0.26 0.00 0.00 34.13 31.78 3miq s GLU 47 CO 0.51 0.10 1.16 -0.46 -0.54 0.00 0.00 175.26 176.03 3miq s TRP 48 N 0.51 3.48 -0.05 5.30 -0.00 -1.26 -0.65 118.94 126.26 3miq s TRP 48 Ca -0.16 1.52 -0.03 0.00 -0.00 0.00 0.00 56.10 57.42 3miq s TRP 48 Cb -0.17 -3.38 -0.02 0.00 -0.00 0.00 0.00 33.47 29.90 3miq s TRP 48 CO 0.06 -0.98 -0.07 0.28 -0.00 0.00 0.00 176.95 176.25 3miq n VAL 49 N 2.14 0.33 -3.86 5.86 0.31 0.31 -4.64 118.33 118.78 3miq n VAL 49 Ca 0.03 -0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.21 3miq n VAL 49 Cb 0.45 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.75 3miq n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3miq s ALA 50 N -2.10 -0.59 -0.01 3.52 0.00 -0.99 -1.84 121.76 119.76 3miq s ALA 50 Ca -0.07 -0.54 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 3miq s ALA 50 Cb 0.03 0.92 0.10 0.00 0.00 0.00 0.00 23.12 24.16 3miq s ALA 50 CO 0.09 -0.81 0.86 0.20 0.00 0.00 0.00 175.76 176.10 3miq s GLY 51 N -2.94 -0.46 0.02 0.00 0.00 -0.48 -0.37 107.32 103.10 3miq s GLY 51 Ca 0.15 1.14 0.03 0.00 0.00 0.00 0.00 44.72 46.03 3miq s GLY 51 CO 0.02 0.47 -0.09 -3.16 0.00 0.00 0.00 173.10 170.34 3miq s MET 52 N -2.74 0.62 0.83 2.90 0.23 -0.53 -1.29 119.30 119.32 3miq s MET 52 Ca 0.02 -0.55 -0.13 0.00 -1.03 0.00 0.00 55.69 54.00 3miq s MET 52 Cb -0.01 -0.53 0.08 0.00 -1.53 0.00 0.00 34.83 32.85 3miq s MET 52 CO -0.07 0.13 1.09 -1.13 -2.03 0.00 0.00 175.02 173.01 3miq n SER 53 N 2.13 0.55 -0.26 -1.18 3.41 -0.41 -2.37 113.62 115.49 3miq n SER 53 Ca -0.18 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.04 3miq n SER 53 Cb 0.56 -1.46 0.19 0.00 -0.26 0.00 0.00 64.21 63.24 3miq n SER 53 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3miq h SER 54 N -1.07 -0.02 0.82 4.04 4.64 -1.90 -0.67 113.55 119.39 3miq h SER 54 Ca -0.45 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3miq h SER 54 Cb 1.30 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3miq h SER 54 CO 0.44 -0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 3miq n ALA 55 N -2.69 2.01 -0.26 5.18 0.00 -1.26 -4.17 120.51 119.31 3miq n ALA 55 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3miq n ALA 55 Cb 0.49 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3miq n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3miq n GLY 56 N 0.77 2.10 0.05 0.00 0.00 -0.26 -4.91 105.19 102.96 3miq n GLY 56 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3miq n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3miq n ASP 57 N 0.00 0.34 -3.86 1.61 5.75 -1.26 -4.79 116.55 114.35 3miq n ASP 57 Ca 0.00 0.55 -0.14 0.00 -0.01 0.00 0.00 54.79 55.19 3miq n ASP 57 Cb 0.00 -0.64 -0.15 0.00 -1.03 0.00 0.00 41.12 39.30 3miq n ASP 57 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3miq s ARG 58 N -3.09 0.15 0.01 0.11 0.52 -1.26 -5.03 118.95 110.35 3miq s ARG 58 Ca 0.09 0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.38 3miq s ARG 58 Cb 0.13 -0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.35 3miq s ARG 58 CO 0.45 -0.04 -0.21 -1.12 0.02 0.00 0.00 175.30 174.41 3miq s SER 59 N 0.38 2.49 0.04 0.23 0.01 -1.26 -1.29 113.70 114.30 3miq s SER 59 Ca -0.03 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.83 3miq s SER 59 Cb -0.06 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 3miq s SER 59 CO -0.01 0.23 -0.11 -0.44 0.41 0.00 0.00 173.24 173.31 3miq s SER 60 N -0.74 1.34 0.06 2.44 0.01 -0.41 -5.00 113.70 111.40 3miq s SER 60 Ca 0.08 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.86 3miq s SER 60 Cb -0.08 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 3miq s SER 60 CO 0.00 -0.06 -0.07 -0.31 0.41 0.00 0.00 173.24 173.21 3miq s TYR 61 N -1.05 0.73 0.56 2.43 2.02 -1.26 -1.38 117.35 119.40 3miq s TYR 61 Ca -0.03 -0.72 -0.15 0.00 -0.37 0.00 0.00 57.07 55.81 3miq s TYR 61 Cb -0.08 -0.44 -0.06 0.00 -0.40 0.00 0.00 41.96 40.98 3miq s TYR 61 CO 0.01 -0.14 1.01 -1.83 -1.57 0.00 0.00 175.55 173.03 3miq s GLU 62 N -2.69 3.71 0.26 -0.62 -1.05 -0.76 -4.83 118.70 112.72 3miq s GLU 62 Ca 0.00 0.95 -0.02 0.00 -0.15 0.00 0.00 54.97 55.75 3miq s GLU 62 Cb -0.02 -2.10 0.47 0.00 -0.44 0.00 0.00 34.13 32.04 3miq s GLU 62 CO -0.03 -0.47 1.80 -0.44 0.95 0.00 0.00 175.26 177.07 3miq h ASP 63 N 0.47 0.66 0.43 0.83 3.32 -1.94 -2.01 116.42 118.17 3miq h ASP 63 Ca -0.46 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3miq h ASP 63 Cb 1.19 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3miq h ASP 63 CO 0.61 0.34 0.00 -1.54 -1.72 0.00 0.00 179.24 176.92 3miq n SER 64 N -4.77 0.50 0.00 6.45 3.41 -1.26 -2.67 113.62 115.28 3miq n SER 64 Ca 0.16 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 3miq n SER 64 Cb 0.35 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 3miq n SER 64 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3miq n VAL 65 N -2.09 0.00 -1.69 -3.33 0.24 -0.81 -5.00 118.33 105.64 3miq n VAL 65 Ca 0.01 -0.47 -0.56 0.00 -2.04 0.00 0.00 64.34 61.29 3miq n VAL 65 Cb 0.15 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.45 3miq n VAL 65 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3miq n LYS 66 N -0.90 1.26 -0.03 7.34 3.00 -0.86 -0.97 118.16 127.01 3miq n LYS 66 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 3miq n LYS 66 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 32.88 3miq n LYS 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3miq n GLY 67 N 3.98 0.75 0.03 3.14 0.00 -1.26 -4.84 105.19 106.99 3miq n GLY 67 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 3miq n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3miq n ARG 68 N -2.00 2.53 -3.99 1.61 1.74 -0.14 -5.02 116.66 111.39 3miq n ARG 68 Ca 0.00 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 3miq n ARG 68 Cb 0.00 -1.14 -0.05 0.00 -1.02 0.00 0.00 32.46 30.26 3miq n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3miq s PHE 69 N -2.13 3.36 -0.10 -1.55 0.40 -1.01 -1.08 117.98 115.87 3miq s PHE 69 Ca -0.04 0.12 -0.03 0.00 -0.60 0.00 0.00 56.93 56.38 3miq s PHE 69 Cb 0.02 -1.65 0.05 0.00 0.51 0.00 0.00 43.02 41.94 3miq s PHE 69 CO 0.21 0.54 0.11 0.99 0.70 0.00 0.00 175.22 177.77 3miq s THR 70 N -1.59 -0.17 0.24 0.64 2.01 -0.15 -4.91 115.64 111.71 3miq s THR 70 Ca 0.33 0.23 -0.14 0.00 0.31 0.00 0.00 61.69 62.41 3miq s THR 70 Cb -0.12 -0.33 -0.08 0.00 0.01 0.00 0.00 72.50 71.98 3miq s THR 70 CO 0.26 0.04 0.65 -0.51 -0.69 0.00 0.00 174.62 174.36 3miq s ILE 71 N 2.22 4.76 0.22 1.82 2.07 -1.26 -0.61 121.20 130.42 3miq s ILE 71 Ca 0.04 0.86 -0.23 0.00 -1.41 0.00 0.00 60.65 59.92 3miq s ILE 71 Cb -0.13 -3.68 0.04 0.00 0.13 0.00 0.00 42.46 38.81 3miq s ILE 71 CO -0.06 0.01 0.80 -0.94 -1.91 0.00 0.00 174.94 172.83 3miq s SER 72 N -2.06 -0.26 0.00 4.50 1.04 -1.09 -4.98 113.70 110.85 3miq s SER 72 Ca 0.47 -0.49 -0.13 0.00 0.48 0.00 0.00 55.95 56.28 3miq s SER 72 Cb -0.13 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.64 3miq s SER 72 CO 0.19 -1.16 0.28 0.00 0.98 0.00 0.00 173.24 173.53 3miq s ARG 73 N -3.68 0.67 -0.42 4.02 1.70 -1.26 -0.43 118.95 119.56 3miq s ARG 73 Ca 0.11 -0.31 -0.08 0.00 -0.47 0.00 0.00 55.73 54.97 3miq s ARG 73 Cb -0.04 0.29 0.08 0.00 -0.57 0.00 0.00 34.95 34.72 3miq s ARG 73 CO 0.04 -0.19 0.25 0.34 -1.08 0.00 0.00 175.30 174.65 3miq s ASP 74 N -1.54 5.57 0.15 -2.89 3.68 0.05 -4.99 116.67 116.70 3miq s ASP 74 Ca -0.11 -1.57 -0.18 0.00 2.13 0.00 0.00 52.55 52.82 3miq s ASP 74 Cb -0.04 -1.96 0.05 0.00 -1.45 0.00 0.00 42.92 39.51 3miq s ASP 74 CO 0.02 -0.54 1.71 0.44 0.13 0.00 0.00 175.17 176.93 3miq h ASP 75 N 8.36 -0.11 -0.66 -0.34 3.45 -1.96 -0.91 116.42 124.25 3miq h ASP 75 Ca -0.22 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.29 3miq h ASP 75 Cb 1.08 0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.94 3miq h ASP 75 CO 0.75 -0.02 0.32 0.00 -1.57 0.00 0.00 179.24 178.72 3miq h ALA 76 N 1.26 0.86 -0.04 3.45 0.00 -1.96 -1.50 119.26 121.34 3miq h ALA 76 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3miq h ALA 76 Cb 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3miq h ALA 76 CO -0.24 0.42 0.00 0.54 0.00 0.00 0.00 179.25 179.97 3miq n ARG 77 N -4.46 1.39 -3.96 0.00 1.74 -1.10 -4.93 116.66 105.33 3miq n ARG 77 Ca 0.05 -0.57 -0.27 0.00 -0.77 0.00 0.00 57.85 56.29 3miq n ARG 77 Cb 0.13 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 3miq n ARG 77 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3miq n ASN 78 N -0.28 -0.80 -4.17 0.55 4.05 -0.39 -4.81 115.26 109.40 3miq n ASN 78 Ca 0.19 -1.04 -0.23 0.00 0.45 0.00 0.00 54.58 53.94 3miq n ASN 78 Cb 0.24 -2.91 -0.14 0.00 1.23 0.00 0.00 39.78 38.20 3miq n ASN 78 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3miq s THR 79 N -3.94 1.34 0.02 -0.44 2.01 -0.91 -1.82 115.64 111.90 3miq s THR 79 Ca 0.06 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.22 3miq s THR 79 Cb -0.03 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 3miq s THR 79 CO 0.90 0.23 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.17 3miq s VAL 80 N -0.62 2.67 0.18 3.82 1.01 -0.49 -0.77 120.40 126.21 3miq s VAL 80 Ca 0.05 -1.14 0.10 0.00 0.00 0.00 0.00 61.98 61.00 3miq s VAL 80 Cb -0.07 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3miq s VAL 80 CO 0.01 0.40 -0.21 -0.31 0.00 0.00 0.00 175.10 174.99 3miq s TYR 81 N -0.85 2.07 -0.27 5.22 2.02 0.43 0.05 117.35 126.01 3miq s TYR 81 Ca 0.13 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.41 3miq s TYR 81 Cb -0.10 -1.02 0.09 0.00 -0.40 0.00 0.00 41.96 40.52 3miq s TYR 81 CO 0.03 0.43 0.08 -1.17 -1.57 0.00 0.00 175.55 173.35 3miq s LEU 82 N -2.72 1.81 0.05 -1.29 2.96 -0.43 -2.67 118.68 116.39 3miq s LEU 82 Ca 0.19 -1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 52.44 3miq s LEU 82 Cb -0.07 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 3miq s LEU 82 CO 0.09 -0.38 1.03 -1.58 -1.32 0.00 0.00 176.35 174.18 3miq s GLN 83 N 1.72 4.57 -0.08 1.98 2.00 0.22 -1.44 119.66 128.62 3miq s GLN 83 Ca 0.06 1.52 0.04 0.00 -2.00 0.00 0.00 55.36 54.97 3miq s GLN 83 Cb -0.17 -3.41 0.00 0.00 0.80 0.00 0.00 33.01 30.23 3miq s GLN 83 CO -0.21 -0.02 -0.21 -1.64 -0.50 0.00 0.00 175.29 172.71 3miq s MET 84 N 0.70 2.62 0.22 1.67 -1.94 0.42 -0.98 119.30 122.00 3miq s MET 84 Ca 0.52 -0.76 0.06 0.00 -1.71 0.00 0.00 55.69 53.80 3miq s MET 84 Cb -0.24 -2.04 -0.05 0.00 2.01 0.00 0.00 34.83 34.52 3miq s MET 84 CO 0.29 0.17 -0.09 -0.80 -0.01 0.00 0.00 175.02 174.58 3miq s ASN 85 N 0.35 2.36 -1.41 3.03 0.01 -0.24 -1.73 114.94 117.30 3miq s ASN 85 Ca -0.16 -1.10 -0.08 0.00 -0.71 0.00 0.00 52.86 50.81 3miq s ASN 85 Cb -0.17 -0.10 0.04 0.00 0.41 0.00 0.00 41.25 41.44 3miq s ASN 85 CO 0.07 -0.31 0.97 -1.20 -1.51 0.00 0.00 177.10 175.12 3miq n SER 86 N -0.41 -4.11 -4.76 -1.22 7.64 -1.11 -4.71 113.62 104.93 3miq n SER 86 Ca -0.07 -0.72 -0.41 0.00 1.01 0.00 0.00 58.87 58.68 3miq n SER 86 Cb 0.62 -4.31 -0.01 0.00 -1.01 0.00 0.00 64.21 59.50 3miq n SER 86 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3miq s LEU 87 N -7.07 4.34 0.31 -3.43 1.43 -0.91 -4.62 118.68 108.73 3miq s LEU 87 Ca 0.44 2.96 0.09 0.00 -1.03 0.00 0.00 54.13 56.59 3miq s LEU 87 Cb -0.21 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 3miq s LEU 87 CO 0.79 -0.87 0.06 -0.54 0.23 0.00 0.00 176.35 176.03 3miq s LYS 88 N -1.18 2.27 0.49 1.70 1.02 -1.26 0.16 119.74 122.95 3miq s LYS 88 Ca 0.58 -1.55 0.16 0.00 0.02 0.00 0.00 55.97 55.18 3miq s LYS 88 Cb -0.47 -2.11 1.19 0.00 -0.52 0.00 0.00 37.83 35.92 3miq s LYS 88 CO 0.54 0.20 2.07 -1.35 -0.92 0.00 0.00 175.35 175.89 3miq h PRO 89 N 1.73 0.16 0.00 -1.68 0.11 -1.96 -1.30 132.00 129.05 3miq h PRO 89 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3miq h PRO 89 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3miq h PRO 89 CO 0.63 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.67 3miq n GLU 90 N -4.48 0.59 0.00 1.05 0.00 -1.26 -1.98 120.64 114.55 3miq n GLU 90 Ca 0.03 0.03 0.14 0.00 0.00 0.00 0.00 57.16 57.36 3miq n GLU 90 Cb 0.25 -1.50 0.61 0.00 0.00 0.00 0.00 31.44 30.80 3miq n GLU 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3miq n ASP 91 N -1.11 0.46 -4.72 -1.84 8.00 -0.49 -4.86 116.55 111.99 3miq n ASP 91 Ca 0.15 -0.57 -0.42 0.00 0.71 0.00 0.00 54.79 54.66 3miq n ASP 91 Cb 0.12 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 3miq n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3miq s THR 92 N -2.47 2.12 0.00 -3.53 2.01 -0.84 -4.89 115.64 108.04 3miq s THR 92 Ca 0.29 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.37 3miq s THR 92 Cb 0.20 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.66 3miq s THR 92 CO 0.47 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.41 3miq n ALA 93 N 3.98 0.00 -2.56 7.40 0.00 -0.58 -4.58 120.51 124.17 3miq n ALA 93 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 3miq n ALA 93 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 3miq n ALA 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3miq s VAL 94 N -2.00 4.93 -0.19 0.00 1.01 -0.81 -1.21 120.40 122.14 3miq s VAL 94 Ca 0.00 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.31 3miq s VAL 94 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3miq s VAL 94 CO 0.00 0.34 0.05 -0.31 0.00 0.00 0.00 175.10 175.18 3miq s TYR 95 N 0.26 3.17 0.06 5.22 1.51 0.53 -0.98 117.35 127.12 3miq s TYR 95 Ca 0.35 -0.09 0.07 0.00 -1.01 0.00 0.00 57.07 56.38 3miq s TYR 95 Cb -0.18 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 3miq s TYR 95 CO 0.18 0.01 -0.16 0.71 -1.11 0.00 0.00 175.55 175.18 3miq s TYR 96 N 0.66 2.62 0.18 2.71 2.02 -0.43 -1.43 117.35 123.68 3miq s TYR 96 Ca 0.02 -0.22 0.05 0.00 -0.37 0.00 0.00 57.07 56.55 3miq s TYR 96 Cb -0.13 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 3miq s TYR 96 CO 0.02 0.31 0.19 0.00 -1.57 0.00 0.00 175.55 174.50 3miq s ASN 98 N -3.32 -0.50 0.05 0.00 2.47 -0.22 -2.45 114.94 110.98 3miq s ASN 98 Ca 0.32 0.88 -0.05 0.00 0.42 0.00 0.00 52.86 54.43 3miq s ASN 98 Cb -0.10 0.79 -0.02 0.00 -1.45 0.00 0.00 41.25 40.48 3miq s ASN 98 CO 0.25 -0.18 0.08 0.54 -3.72 0.00 0.00 177.10 174.07 3miq s VAL 99 N 1.09 0.16 -0.33 -5.21 0.11 -0.94 -1.68 120.40 113.59 3miq s VAL 99 Ca -0.07 -1.31 0.03 0.00 -2.93 0.00 0.00 61.98 57.70 3miq s VAL 99 Cb -0.07 -1.15 0.10 0.00 -1.53 0.00 0.00 36.38 33.73 3miq s VAL 99 CO -0.09 -0.72 0.05 0.21 -3.33 0.00 0.00 175.10 171.21 3miq s ASN 100 N -2.49 4.61 -0.32 3.54 3.04 -1.26 -0.68 114.94 121.38 3miq s ASN 100 Ca 0.00 -2.02 0.03 0.00 0.04 0.00 0.00 52.86 50.91 3miq s ASN 100 Cb 0.02 -1.49 0.09 0.00 -1.54 0.00 0.00 41.25 38.34 3miq s ASN 100 CO -0.07 -0.38 0.04 0.54 -3.04 0.00 0.00 177.10 174.18 3miq s VAL 101 N 1.04 1.95 0.00 -5.21 0.11 -1.26 -4.88 120.40 112.16 3miq s VAL 101 Ca 0.10 -2.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.13 3miq s VAL 101 Cb -0.19 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 3miq s VAL 101 CO -0.11 -0.52 0.00 0.61 -3.33 0.00 0.00 175.10 171.75 3miq n GLY 102 N 4.41 2.06 3.93 6.54 0.00 -1.26 -4.75 105.19 116.12 3miq n GLY 102 Ca -0.00 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3miq n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3miq s PHE 103 N 0.00 1.58 0.08 1.61 0.08 -1.26 -5.11 117.98 114.95 3miq s PHE 103 Ca 0.00 -0.82 -0.23 0.00 0.12 0.00 0.00 56.93 56.00 3miq s PHE 103 Cb 0.00 -1.97 -0.06 0.00 -0.57 0.00 0.00 43.02 40.41 3miq s PHE 103 CO 0.00 -0.62 0.70 -2.00 -0.10 0.00 0.00 175.22 173.21 3miq s GLU 104 N -4.36 4.43 0.01 0.44 2.12 -1.26 -4.45 118.70 115.63 3miq s GLU 104 Ca 0.40 0.97 0.06 0.00 0.36 0.00 0.00 54.97 56.76 3miq s GLU 104 Cb -0.03 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 3miq s GLU 104 CO 0.25 0.46 -0.20 0.71 -0.54 0.00 0.00 175.26 175.94 3miq s TYR 105 N -0.63 1.75 0.09 5.30 2.02 0.14 -4.99 117.35 121.04 3miq s TYR 105 Ca 0.34 -0.35 0.09 0.00 -0.37 0.00 0.00 57.07 56.79 3miq s TYR 105 Cb -0.21 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 3miq s TYR 105 CO 0.22 0.01 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.40 3miq s TRP 106 N -0.58 2.02 1.10 2.71 0.52 -1.26 -2.22 118.94 121.23 3miq s TRP 106 Ca 0.07 -0.40 -0.18 0.00 0.02 0.00 0.00 56.10 55.61 3miq s TRP 106 Cb -0.08 -1.13 0.25 0.00 -1.15 0.00 0.00 33.47 31.36 3miq s TRP 106 CO 0.00 0.22 1.22 0.20 0.02 0.00 0.00 176.95 178.61 3miq s GLY 107 N -1.75 1.69 0.00 0.98 0.00 -1.02 -4.57 107.32 102.64 3miq s GLY 107 Ca 0.10 -1.12 0.26 0.00 0.00 0.00 0.00 44.72 43.96 3miq s GLY 107 CO 0.04 -0.27 1.54 0.61 0.00 0.00 0.00 173.10 175.02 3miq n GLN 108 N -4.33 1.19 0.00 2.90 0.00 -1.26 -4.84 117.38 111.04 3miq n GLN 108 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 57.00 56.38 3miq n GLN 108 Cb 0.59 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.35 3miq n GLN 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3miq n GLY 109 N 1.31 0.72 2.94 2.61 0.00 -1.26 -5.05 105.19 106.46 3miq n GLY 109 Ca 0.14 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 3miq n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3miq s THR 110 N -2.67 -0.02 -0.04 2.61 -1.32 -0.51 -4.70 115.64 108.99 3miq s THR 110 Ca 0.00 0.06 -0.21 0.00 -1.21 0.00 0.00 61.69 60.33 3miq s THR 110 Cb 0.00 -0.15 -0.05 0.00 -1.51 0.00 0.00 72.50 70.79 3miq s THR 110 CO 0.00 0.02 0.59 -1.58 -2.21 0.00 0.00 174.62 171.44 3miq s GLN 111 N 0.36 4.34 -0.14 7.08 2.00 -1.26 -0.34 119.66 131.69 3miq s GLN 111 Ca -0.03 0.70 0.01 0.00 -2.00 0.00 0.00 55.36 54.04 3miq s GLN 111 Cb -0.04 -3.38 0.02 0.00 0.80 0.00 0.00 33.01 30.41 3miq s GLN 111 CO -0.01 0.27 -0.17 0.08 -0.50 0.00 0.00 175.29 174.96 3miq s VAL 112 N 0.16 1.72 -0.14 1.34 1.01 -0.35 -1.42 120.40 122.72 3miq s VAL 112 Ca 0.31 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3miq s VAL 112 Cb -0.17 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3miq s VAL 112 CO 0.16 0.48 -0.19 -0.89 0.00 0.00 0.00 175.10 174.66 3miq s THR 113 N 1.22 1.88 -0.38 3.92 2.01 -0.70 -1.52 115.64 122.06 3miq s THR 113 Ca 0.00 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 3miq s THR 113 Cb -0.14 -1.69 0.10 0.00 0.01 0.00 0.00 72.50 70.78 3miq s THR 113 CO -0.07 0.51 0.16 -0.69 -0.69 0.00 0.00 174.62 173.84 3miq s VAL 114 N 1.05 3.13 -0.02 3.82 1.01 -1.26 -0.69 120.40 127.45 3miq s VAL 114 Ca -0.02 -1.99 -0.27 0.00 0.00 0.00 0.00 61.98 59.70 3miq s VAL 114 Cb -0.14 -3.11 0.06 0.00 0.00 0.00 0.00 36.38 33.18 3miq s VAL 114 CO -0.06 -0.59 0.60 -0.94 0.00 0.00 0.00 175.10 174.11 3miq s SER 115 N 1.63 -0.56 -0.44 3.32 1.04 -0.83 -4.40 113.70 113.46 3miq s SER 115 Ca 0.07 0.51 -0.28 0.00 0.48 0.00 0.00 55.95 56.73 3miq s SER 115 Cb -0.22 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 3miq s SER 115 CO -0.04 -0.63 1.89 -0.94 0.98 0.00 0.00 173.24 174.50 3miq s SER 116 N -1.44 5.53 0.00 7.02 1.04 -1.26 -4.30 113.70 120.30 3miq s SER 116 Ca -0.10 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.31 3miq s SER 116 Cb -0.01 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3miq s SER 116 CO 0.06 -2.05 0.00 0.29 0.98 0.00 0.00 173.24 172.52