#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 3.37 -0.20 1.69 0.11 -1.26 -4.38 120.40 119.73 3miq s VAL 3 Ca 0.00 1.37 -0.19 0.00 -2.93 0.00 0.00 61.98 60.22 3miq s VAL 3 Cb 0.00 -3.86 0.05 0.00 -1.53 0.00 0.00 36.38 31.04 3miq s VAL 3 CO 0.00 0.32 0.55 -1.58 -3.33 0.00 0.00 175.10 171.06 3miq s GLN 4 N -1.54 0.65 -0.05 1.54 0.74 -0.36 -4.98 119.66 115.66 3miq s GLN 4 Ca 0.46 0.74 0.04 0.00 0.05 0.00 0.00 55.36 56.65 3miq s GLN 4 Cb -0.33 0.32 -0.00 0.00 1.10 0.00 0.00 33.01 34.10 3miq s GLN 4 CO 0.43 -0.08 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.39 3miq s LEU 5 N 0.25 1.92 -0.26 3.68 1.43 -1.26 -1.74 118.68 122.69 3miq s LEU 5 Ca -0.00 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3miq s LEU 5 Cb -0.04 -1.02 0.08 0.00 0.03 0.00 0.00 46.19 45.24 3miq s LEU 5 CO 0.01 0.15 0.07 -0.69 0.23 0.00 0.00 176.35 176.12 3miq s VAL 6 N 0.09 0.71 0.39 -1.59 1.01 -0.72 -4.06 120.40 116.24 3miq s VAL 6 Ca -0.06 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 3miq s VAL 6 Cb -0.12 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 34.77 3miq s VAL 6 CO 0.03 -0.47 0.93 -1.61 0.00 0.00 0.00 175.10 173.98 3miq s GLU 7 N 1.73 4.31 0.15 2.72 8.01 -1.26 -1.11 118.70 133.25 3miq s GLU 7 Ca 0.05 1.14 -0.13 0.00 0.01 0.00 0.00 54.97 56.04 3miq s GLU 7 Cb -0.17 -2.39 0.01 0.00 -4.31 0.00 0.00 34.13 27.27 3miq s GLU 7 CO -0.19 0.08 0.36 -1.54 0.01 0.00 0.00 175.26 173.98 3miq s SER 8 N -2.01 -0.09 0.00 -0.19 1.04 0.15 -4.71 113.70 107.88 3miq s SER 8 Ca 0.58 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.43 3miq s SER 8 Cb -0.12 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3miq s SER 8 CO 0.17 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.11 3miq n GLY 9 N -0.22 1.25 3.73 7.32 0.00 -1.26 -1.05 105.19 114.96 3miq n GLY 9 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3miq n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3miq s GLY 10 N -1.33 2.59 0.00 -0.02 0.00 -1.26 -4.69 107.32 102.61 3miq s GLY 10 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 44.72 45.43 3miq s GLY 10 CO 0.00 1.42 1.12 0.00 0.00 0.00 0.00 173.10 175.64 3miq s ALA 11 N -1.72 -1.97 -0.04 3.20 0.00 -0.47 -4.88 121.76 115.87 3miq s ALA 11 Ca 0.77 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 3miq s ALA 11 Cb -0.32 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3miq s ALA 11 CO 0.41 -0.91 0.91 -1.17 0.00 0.00 0.00 175.76 175.00 3miq s LEU 12 N -2.74 4.32 0.03 0.00 2.96 -1.26 -1.99 118.68 120.00 3miq s LEU 12 Ca 0.11 1.50 -0.01 0.00 -0.22 0.00 0.00 54.13 55.52 3miq s LEU 12 Cb 0.01 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 3miq s LEU 12 CO -0.03 -0.27 -0.03 0.68 -1.32 0.00 0.00 176.35 175.38 3miq s VAL 13 N 1.22 0.15 0.33 1.68 -7.23 0.06 -4.97 120.40 111.64 3miq s VAL 13 Ca 0.47 -1.25 -0.15 0.00 -1.81 0.00 0.00 61.98 59.24 3miq s VAL 13 Cb -0.20 -0.75 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 3miq s VAL 13 CO 0.23 -0.69 0.75 -1.10 -0.31 0.00 0.00 175.10 173.98 3miq s GLN 14 N -2.42 4.00 0.20 4.82 -0.21 -1.26 -2.10 119.66 122.69 3miq s GLN 14 Ca -0.07 0.68 -0.31 0.00 0.02 0.00 0.00 55.36 55.68 3miq s GLN 14 Cb -0.03 -2.41 -0.16 0.00 1.00 0.00 0.00 33.01 31.41 3miq s GLN 14 CO -0.04 0.13 1.00 -2.30 -2.12 0.00 0.00 175.29 171.96 3miq n PRO 15 N -0.46 0.96 0.00 2.91 -0.02 -1.26 -0.69 135.00 136.45 3miq n PRO 15 Ca 0.04 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3miq n PRO 15 Cb 0.53 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 1.74 1.67 3.83 -1.23 0.00 0.77 -4.93 105.19 107.03 3miq n GLY 16 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 1.69 0.21 -0.02 0.00 0.14 -3.89 107.32 103.45 3miq s GLY 17 Ca 0.00 -1.02 0.09 0.00 0.00 0.00 0.00 44.72 43.79 3miq s GLY 17 CO 0.00 -0.27 -0.18 -0.56 0.00 0.00 0.00 173.10 172.09 3miq s SER 18 N -4.52 2.96 -0.12 1.64 0.01 -1.26 -2.03 113.70 110.38 3miq s SER 18 Ca 0.71 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 3miq s SER 18 Cb -0.07 -0.20 0.09 0.00 0.21 0.00 0.00 66.02 66.05 3miq s SER 18 CO 0.53 -0.04 0.78 -0.22 0.41 0.00 0.00 173.24 174.70 3miq s LEU 19 N -3.08 -0.60 -0.29 2.44 2.96 -0.71 -5.02 118.68 114.39 3miq s LEU 19 Ca 0.22 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 54.89 3miq s LEU 19 Cb -0.04 2.34 0.09 0.00 0.50 0.00 0.00 46.19 49.08 3miq s LEU 19 CO 0.09 -0.47 0.08 -0.60 -1.32 0.00 0.00 176.35 174.14 3miq s ARG 20 N -0.83 0.73 0.60 1.98 3.00 -1.26 -0.51 118.95 122.65 3miq s ARG 20 Ca -0.06 -0.94 -0.14 0.00 -1.00 0.00 0.00 55.73 53.58 3miq s ARG 20 Cb -0.01 -2.01 -0.04 0.00 0.00 0.00 0.00 34.95 32.89 3miq s ARG 20 CO 0.06 -0.91 1.04 -0.51 0.00 0.00 0.00 175.30 174.98 3miq s LEU 21 N 1.66 3.43 0.05 -0.88 1.43 -0.58 -4.75 118.68 119.05 3miq s LEU 21 Ca 0.07 1.68 -0.05 0.00 -1.03 0.00 0.00 54.13 54.80 3miq s LEU 21 Cb -0.17 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.52 3miq s LEU 21 CO -0.22 -1.05 0.09 -0.94 0.23 0.00 0.00 176.35 174.47 3miq s SER 22 N -3.19 0.21 -0.04 2.29 1.04 -0.21 -1.29 113.70 112.52 3miq s SER 22 Ca 0.60 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 3miq s SER 22 Cb -0.14 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.26 3miq s SER 22 CO 0.41 -0.57 0.03 0.00 0.98 0.00 0.00 173.24 174.09 3miq s ALA 24 N 1.66 3.58 -0.10 0.00 0.00 -0.27 -1.34 121.76 125.30 3miq s ALA 24 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 3miq s ALA 24 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3miq s ALA 24 CO -0.03 -0.77 0.07 0.00 0.00 0.00 0.00 175.76 175.03 3miq s ALA 25 N 2.33 3.58 0.03 0.00 0.00 -0.79 -1.75 121.76 125.16 3miq s ALA 25 Ca 0.21 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3miq s ALA 25 Cb -0.16 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3miq s ALA 25 CO 0.09 0.61 -0.06 -1.54 0.00 0.00 0.00 175.76 174.87 3miq s SER 26 N -1.02 0.61 0.00 0.00 1.04 -0.71 -4.85 113.70 108.77 3miq s SER 26 Ca 0.15 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3miq s SER 26 Cb -0.12 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3miq s SER 26 CO 0.04 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.63 3miq n GLY 27 N 1.52 0.90 3.49 7.32 0.00 -1.26 -1.22 105.19 115.94 3miq n GLY 27 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.13 -0.48 -0.05 1.61 -0.71 -1.26 -4.60 117.98 110.35 3miq s PHE 28 Ca 0.00 0.24 -0.30 0.00 -1.04 0.00 0.00 56.93 55.83 3miq s PHE 28 Cb 0.00 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 3miq s PHE 28 CO 0.00 -0.90 1.08 -2.14 -1.34 0.00 0.00 175.22 171.92 3miq s PRO 29 N -3.76 4.43 0.00 1.99 0.02 -1.26 -4.89 135.00 131.52 3miq s PRO 29 Ca 0.03 1.52 0.13 0.00 0.02 0.00 0.00 61.00 62.70 3miq s PRO 29 Cb -0.02 -3.51 0.62 0.00 0.02 0.00 0.00 34.50 31.61 3miq s PRO 29 CO -0.10 -0.30 1.37 1.55 -0.33 0.00 0.00 177.00 179.19 3miq n VAL 30 N 4.39 0.85 -1.18 3.83 3.14 -1.26 -2.28 118.33 125.81 3miq n VAL 30 Ca 0.09 0.21 -0.03 0.00 -2.96 0.00 0.00 64.34 61.65 3miq n VAL 30 Cb 0.48 -0.99 0.25 0.00 -1.06 0.00 0.00 33.84 32.51 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 -1.38 3.69 0.00 6.55 6.94 -1.26 -4.21 115.26 125.59 3miq n ASN 31 Ca 0.05 -3.39 0.00 0.00 -0.02 0.00 0.00 54.58 51.22 3miq n ASN 31 Cb 0.12 -0.66 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 -0.68 -0.45 -3.97 -3.83 5.12 -0.97 -4.73 116.66 107.16 3miq n ARG 32 Ca 0.35 -0.27 -0.10 0.00 -1.93 0.00 0.00 57.85 55.90 3miq n ARG 32 Cb 1.17 -0.75 -0.12 0.00 -1.16 0.00 0.00 32.46 31.60 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 0.25 0.09 -1.55 1.51 -1.26 -4.87 117.35 111.50 3miq s TYR 33 Ca 0.00 -0.42 -0.31 0.00 -1.01 0.00 0.00 57.07 55.33 3miq s TYR 33 Cb 0.00 -0.17 -0.06 0.00 -0.11 0.00 0.00 41.96 41.61 3miq s TYR 33 CO 0.00 -0.14 1.23 -1.54 -1.11 0.00 0.00 175.55 173.99 3miq s SER 34 N -1.17 7.04 -0.05 2.29 1.04 -1.26 -4.14 113.70 117.44 3miq s SER 34 Ca -0.12 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.41 3miq s SER 34 Cb -0.08 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 3miq s SER 34 CO -0.01 -0.49 -0.03 -0.04 0.98 0.00 0.00 173.24 173.66 3miq s MET 35 N 0.89 2.82 0.09 4.02 1.00 -1.00 -4.48 119.30 122.65 3miq s MET 35 Ca 0.59 -0.53 0.04 0.00 0.00 0.00 0.00 55.69 55.79 3miq s MET 35 Cb -0.31 -2.67 -0.03 0.00 0.00 0.00 0.00 34.83 31.81 3miq s MET 35 CO 0.30 0.66 -0.10 1.03 0.00 0.00 0.00 175.02 176.91 3miq s ARG 36 N -1.07 0.84 -0.09 2.03 0.52 -0.54 -1.51 118.95 119.13 3miq s ARG 36 Ca 0.15 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.24 3miq s ARG 36 Cb -0.11 -0.56 -0.02 0.00 0.52 0.00 0.00 34.95 34.77 3miq s ARG 36 CO 0.04 0.09 -0.12 -1.58 0.02 0.00 0.00 175.30 173.76 3miq s TRP 37 N -2.31 2.80 0.42 -0.53 0.52 0.87 -0.59 118.94 120.13 3miq s TRP 37 Ca 0.05 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.90 3miq s TRP 37 Cb -0.04 -1.75 -0.07 0.00 -1.15 0.00 0.00 33.47 30.47 3miq s TRP 37 CO 0.00 0.04 0.02 0.71 0.02 0.00 0.00 176.95 177.74 3miq s TYR 38 N -0.24 2.43 -0.10 -1.98 2.02 0.47 -0.17 117.35 119.78 3miq s TYR 38 Ca 0.02 -0.71 -0.10 0.00 -0.37 0.00 0.00 57.07 55.92 3miq s TYR 38 Cb -0.13 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.69 3miq s TYR 38 CO 0.03 0.40 0.27 -0.98 -1.57 0.00 0.00 175.55 173.70 3miq s ARG 39 N -3.75 0.33 -0.20 -0.62 1.70 -0.04 -1.31 118.95 115.06 3miq s ARG 39 Ca 0.31 0.34 0.01 0.00 -0.47 0.00 0.00 55.73 55.92 3miq s ARG 39 Cb 0.08 0.16 0.04 0.00 -0.57 0.00 0.00 34.95 34.67 3miq s ARG 39 CO 0.16 -0.04 -0.10 -1.14 -1.08 0.00 0.00 175.30 173.10 3miq s GLN 40 N 0.06 2.03 1.14 3.89 0.74 0.23 -0.91 119.66 126.84 3miq s GLN 40 Ca -0.01 -0.85 -0.18 0.00 0.05 0.00 0.00 55.36 54.37 3miq s GLN 40 Cb -0.02 -2.43 0.26 0.00 1.10 0.00 0.00 33.01 31.92 3miq s GLN 40 CO 0.01 -0.43 1.14 0.00 -0.55 0.00 0.00 175.29 175.45 3miq s ALA 41 N 1.39 0.93 -0.00 1.58 0.00 -1.26 -1.62 121.76 122.77 3miq s ALA 41 Ca -0.01 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 3miq s ALA 41 Cb -0.16 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3miq s ALA 41 CO -0.08 -3.30 1.08 -2.14 0.00 0.00 0.00 175.76 171.32 3miq s PRO 42 N -5.43 4.47 -1.34 0.00 0.02 -1.26 -3.32 135.00 128.14 3miq s PRO 42 Ca 0.71 1.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 3miq s PRO 42 Cb -0.10 -3.45 0.01 0.00 0.02 0.00 0.00 34.50 30.98 3miq s PRO 42 CO 0.56 -0.21 0.67 0.41 -0.33 0.00 0.00 177.00 178.10 3miq n GLY 43 N 3.09 -0.29 3.19 0.52 0.00 -1.26 -5.00 105.19 105.44 3miq n GLY 43 Ca 0.08 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -6.11 0.98 0.30 1.61 1.02 -1.21 -5.14 119.74 111.20 3miq s LYS 44 Ca 0.04 -1.38 -0.28 0.00 0.02 0.00 0.00 55.97 54.37 3miq s LYS 44 Cb -0.02 0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 37.47 3miq s LYS 44 CO 0.82 -0.30 1.06 -1.21 -0.92 0.00 0.00 175.35 174.80 3miq s GLU 45 N -4.03 4.55 0.22 1.68 2.02 -1.26 -4.58 118.70 117.30 3miq s GLU 45 Ca 0.23 1.66 -0.31 0.00 0.02 0.00 0.00 54.97 56.57 3miq s GLU 45 Cb 0.07 -3.03 -0.14 0.00 0.10 0.00 0.00 34.13 31.13 3miq s GLU 45 CO 0.02 0.18 1.29 -2.13 0.02 0.00 0.00 175.26 174.63 3miq n ARG 46 N 0.90 1.69 -4.91 1.61 0.63 -1.26 -4.65 116.66 110.67 3miq n ARG 46 Ca 0.00 0.60 -0.29 0.00 -0.92 0.00 0.00 57.85 57.25 3miq n ARG 46 Cb 0.47 -2.18 -0.17 0.00 0.45 0.00 0.00 32.46 31.02 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 -0.53 2.49 0.21 -0.14 2.12 -0.09 -4.95 118.70 117.80 3miq s GLU 47 Ca 0.69 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 55.04 3miq s GLU 47 Cb -0.72 -1.94 -0.09 0.00 0.26 0.00 0.00 34.13 31.64 3miq s GLU 47 CO 0.52 0.10 1.26 -0.46 -0.54 0.00 0.00 175.26 176.14 3miq s TRP 48 N 0.53 3.31 -0.05 5.30 -0.00 -1.26 -0.86 118.94 125.91 3miq s TRP 48 Ca -0.16 1.32 -0.04 0.00 -0.00 0.00 0.00 56.10 57.23 3miq s TRP 48 Cb -0.17 -3.54 -0.03 0.00 -0.00 0.00 0.00 33.47 29.74 3miq s TRP 48 CO 0.06 -1.59 -0.09 0.28 -0.00 0.00 0.00 176.95 175.60 3miq n VAL 49 N 2.42 0.57 -3.78 5.86 0.31 0.75 -4.62 118.33 119.84 3miq n VAL 49 Ca 0.05 -0.01 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 3miq n VAL 49 Cb 0.43 -1.63 -0.04 0.00 -0.91 0.00 0.00 33.84 31.69 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 -2.15 -0.78 0.03 3.52 0.00 -0.99 -1.79 121.76 119.59 3miq s ALA 50 Ca -0.09 -0.34 -0.27 0.00 0.00 0.00 0.00 51.96 51.26 3miq s ALA 50 Cb 0.03 0.85 0.09 0.00 0.00 0.00 0.00 23.12 24.10 3miq s ALA 50 CO 0.12 -0.78 0.78 0.20 0.00 0.00 0.00 175.76 176.08 3miq s GLY 51 N -2.89 -0.51 0.02 0.00 0.00 -0.31 -0.09 107.32 103.54 3miq s GLY 51 Ca 0.11 1.00 0.02 0.00 0.00 0.00 0.00 44.72 45.85 3miq s GLY 51 CO -0.02 0.43 -0.08 -3.16 0.00 0.00 0.00 173.10 170.27 3miq s MET 52 N -2.87 0.56 0.81 2.90 0.23 -0.57 -1.04 119.30 119.32 3miq s MET 52 Ca 0.01 -0.55 -0.12 0.00 -1.03 0.00 0.00 55.69 54.00 3miq s MET 52 Cb -0.01 -0.44 0.08 0.00 -1.53 0.00 0.00 34.83 32.93 3miq s MET 52 CO -0.07 0.10 1.15 -1.54 -2.03 0.00 0.00 175.02 172.63 3miq s SER 53 N -0.98 3.80 0.24 -1.18 1.04 -0.38 -2.38 113.70 113.87 3miq s SER 53 Ca -0.04 2.13 -0.06 0.00 0.48 0.00 0.00 55.95 58.47 3miq s SER 53 Cb -0.07 -2.56 0.46 0.00 0.10 0.00 0.00 66.02 63.95 3miq s SER 53 CO 0.00 -2.51 1.67 0.77 0.98 0.00 0.00 173.24 174.14 3miq h SER 54 N -1.13 -0.12 0.93 7.02 4.64 -1.90 -0.36 113.55 122.63 3miq h SER 54 Ca -0.45 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3miq h SER 54 Cb 1.26 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3miq h SER 54 CO 0.47 -0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 3miq n ALA 55 N -2.75 1.94 -0.35 5.18 0.00 -1.26 -4.20 120.51 119.06 3miq n ALA 55 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3miq n ALA 55 Cb 0.47 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.60 1.77 0.06 0.00 0.00 -0.15 -4.91 105.19 102.56 3miq n GLY 56 Ca 0.04 0.00 0.13 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 0.39 -3.89 1.61 5.75 -1.26 -4.81 116.55 114.34 3miq n ASP 57 Ca 0.00 0.55 -0.15 0.00 -0.01 0.00 0.00 54.79 55.18 3miq n ASP 57 Cb 0.00 -0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 39.29 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 -3.08 0.27 0.00 0.11 0.52 -1.26 -5.03 118.95 110.49 3miq s ARG 58 Ca 0.11 -0.06 0.05 0.00 -0.52 0.00 0.00 55.73 55.31 3miq s ARG 58 Cb 0.14 -0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.28 3miq s ARG 58 CO 0.51 0.01 -0.16 -1.12 0.02 0.00 0.00 175.30 174.56 3miq s SER 59 N 0.23 1.89 0.04 0.23 0.01 -1.26 -1.25 113.70 113.59 3miq s SER 59 Ca -0.02 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.94 3miq s SER 59 Cb -0.05 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 3miq s SER 59 CO -0.01 0.17 -0.11 -0.44 0.41 0.00 0.00 173.24 173.27 3miq s SER 60 N -0.57 1.22 0.08 2.44 0.01 -0.21 -5.00 113.70 111.67 3miq s SER 60 Ca 0.06 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.90 3miq s SER 60 Cb -0.07 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 3miq s SER 60 CO -0.00 -0.05 -0.09 -0.31 0.41 0.00 0.00 173.24 173.20 3miq s TYR 61 N -0.93 0.90 0.53 2.43 2.02 -1.26 -1.17 117.35 119.86 3miq s TYR 61 Ca -0.02 -0.66 -0.18 0.00 -0.37 0.00 0.00 57.07 55.84 3miq s TYR 61 Cb -0.08 -0.51 -0.07 0.00 -0.40 0.00 0.00 41.96 40.90 3miq s TYR 61 CO 0.01 -0.06 1.02 -1.83 -1.57 0.00 0.00 175.55 173.11 3miq s GLU 62 N -2.62 3.74 0.26 -0.62 -1.05 -0.74 -4.83 118.70 112.84 3miq s GLU 62 Ca 0.02 1.14 -0.02 0.00 -0.15 0.00 0.00 54.97 55.96 3miq s GLU 62 Cb -0.03 -2.10 0.50 0.00 -0.44 0.00 0.00 34.13 32.06 3miq s GLU 62 CO -0.01 -0.45 1.78 -0.44 0.95 0.00 0.00 175.26 177.09 3miq h ASP 63 N 1.00 0.60 0.44 0.83 3.32 -1.94 -1.94 116.42 118.73 3miq h ASP 63 Ca -0.48 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3miq h ASP 63 Cb 1.20 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3miq h ASP 63 CO 0.60 0.28 0.00 0.77 -1.72 0.00 0.00 179.24 179.17 3miq h SER 64 N 0.69 0.00 -0.00 6.45 4.64 -1.97 -2.95 113.55 120.41 3miq h SER 64 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3miq h SER 64 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3miq h SER 64 CO -0.32 0.00 -0.01 1.33 -0.87 0.00 0.00 176.83 176.96 3miq n VAL 65 N -2.52 0.00 -1.69 0.95 0.24 -0.79 -5.00 118.33 109.53 3miq n VAL 65 Ca -0.00 -0.50 -0.57 0.00 -2.04 0.00 0.00 64.34 61.24 3miq n VAL 65 Cb 0.16 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.46 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 -0.98 1.13 -0.08 7.34 3.00 -0.84 -0.95 118.16 126.78 3miq n LYS 66 Ca 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 3miq n LYS 66 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 35.03 32.95 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 3.87 0.93 0.02 3.14 0.00 -1.26 -4.83 105.19 107.06 3miq n GLY 67 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 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 3.02 -4.02 1.61 1.74 -0.12 -5.02 116.66 111.87 3miq n ARG 68 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 3miq n ARG 68 Cb 0.00 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.09 3.29 -0.06 -1.55 0.40 -1.00 -1.38 117.98 115.58 3miq s PHE 69 Ca -0.02 0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.38 3miq s PHE 69 Cb 0.01 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.95 3miq s PHE 69 CO 0.15 0.53 0.09 0.99 0.70 0.00 0.00 175.22 177.68 3miq s THR 70 N -1.54 -0.15 0.26 0.64 2.01 -0.05 -4.91 115.64 111.91 3miq s THR 70 Ca 0.32 0.36 -0.10 0.00 0.31 0.00 0.00 61.69 62.58 3miq s THR 70 Cb -0.12 -0.22 -0.07 0.00 0.01 0.00 0.00 72.50 72.10 3miq s THR 70 CO 0.24 0.13 0.59 -0.51 -0.69 0.00 0.00 174.62 174.39 3miq s ILE 71 N 2.20 4.89 0.19 1.82 2.07 -1.26 -0.59 121.20 130.52 3miq s ILE 71 Ca 0.04 0.53 -0.24 0.00 -1.41 0.00 0.00 60.65 59.57 3miq s ILE 71 Cb -0.12 -3.63 0.05 0.00 0.13 0.00 0.00 42.46 38.89 3miq s ILE 71 CO -0.04 -0.13 0.89 -0.94 -1.91 0.00 0.00 174.94 172.81 3miq s SER 72 N -2.45 -0.20 0.01 4.50 1.04 -1.07 -4.98 113.70 110.55 3miq s SER 72 Ca 0.48 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 56.28 3miq s SER 72 Cb -0.11 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3miq s SER 72 CO 0.22 -1.03 0.35 0.00 0.98 0.00 0.00 173.24 173.75 3miq s ARG 73 N -3.46 0.77 -0.41 4.02 1.70 -1.26 -0.76 118.95 119.55 3miq s ARG 73 Ca 0.12 -0.27 -0.06 0.00 -0.47 0.00 0.00 55.73 55.05 3miq s ARG 73 Cb -0.03 0.34 0.09 0.00 -0.57 0.00 0.00 34.95 34.78 3miq s ARG 73 CO 0.04 -0.23 0.22 0.34 -1.08 0.00 0.00 175.30 174.58 3miq s ASP 74 N -1.61 5.44 0.16 -2.89 3.68 -0.23 -4.99 116.67 116.23 3miq s ASP 74 Ca -0.10 -1.67 -0.17 0.00 2.13 0.00 0.00 52.55 52.74 3miq s ASP 74 Cb -0.03 -1.91 0.08 0.00 -1.45 0.00 0.00 42.92 39.61 3miq s ASP 74 CO 0.02 -0.52 1.71 0.44 0.13 0.00 0.00 175.17 176.94 3miq h ASP 75 N 8.26 -0.11 -0.64 -0.34 3.45 -1.96 -0.45 116.42 124.63 3miq h ASP 75 Ca -0.20 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.32 3miq h ASP 75 Cb 1.07 0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.94 3miq h ASP 75 CO 0.72 -0.02 0.33 0.00 -1.57 0.00 0.00 179.24 178.71 3miq h ALA 76 N 1.30 0.83 -0.03 3.45 0.00 -1.96 -1.62 119.26 121.23 3miq h ALA 76 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3miq h ALA 76 Cb 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3miq h ALA 76 CO -0.27 0.37 0.00 0.54 0.00 0.00 0.00 179.25 179.88 3miq n ARG 77 N -4.51 1.37 -3.93 0.00 1.74 -1.09 -4.92 116.66 105.31 3miq n ARG 77 Ca 0.05 -0.55 -0.25 0.00 -0.77 0.00 0.00 57.85 56.33 3miq n ARG 77 Cb 0.11 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 -0.31 -0.49 -4.19 0.55 4.05 -0.23 -4.81 115.26 109.83 3miq n ASN 78 Ca 0.20 -1.00 -0.24 0.00 0.45 0.00 0.00 54.58 53.99 3miq n ASN 78 Cb 0.23 -3.10 -0.14 0.00 1.23 0.00 0.00 39.78 38.01 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 -3.93 1.40 0.01 -0.44 2.01 -0.88 -1.88 115.64 111.93 3miq s THR 79 Ca 0.02 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.10 3miq s THR 79 Cb -0.01 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3miq s THR 79 CO 0.88 0.21 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.16 3miq s VAL 80 N -0.67 2.84 0.17 3.82 1.01 -0.45 -1.06 120.40 126.06 3miq s VAL 80 Ca 0.06 -1.05 0.10 0.00 0.00 0.00 0.00 61.98 61.09 3miq s VAL 80 Cb -0.08 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3miq s VAL 80 CO 0.01 0.42 -0.23 -0.31 0.00 0.00 0.00 175.10 174.99 3miq s TYR 81 N -0.86 2.13 -0.27 5.22 2.02 0.06 0.31 117.35 125.96 3miq s TYR 81 Ca 0.14 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3miq s TYR 81 Cb -0.11 -1.08 0.09 0.00 -0.40 0.00 0.00 41.96 40.46 3miq s TYR 81 CO 0.04 0.41 0.07 -1.17 -1.57 0.00 0.00 175.55 173.33 3miq s LEU 82 N -2.52 1.84 0.04 -1.29 2.96 -0.41 -2.60 118.68 116.69 3miq s LEU 82 Ca 0.17 -1.34 -0.30 0.00 -0.22 0.00 0.00 54.13 52.44 3miq s LEU 82 Cb -0.08 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 3miq s LEU 82 CO 0.08 -0.37 1.00 -1.58 -1.32 0.00 0.00 176.35 174.16 3miq s GLN 83 N 1.70 4.58 -0.08 1.98 2.00 0.24 -1.53 119.66 128.57 3miq s GLN 83 Ca 0.05 1.47 0.04 0.00 -2.00 0.00 0.00 55.36 54.92 3miq s GLN 83 Cb -0.17 -3.43 0.00 0.00 0.80 0.00 0.00 33.01 30.21 3miq s GLN 83 CO -0.20 -0.01 -0.20 -1.64 -0.50 0.00 0.00 175.29 172.75 3miq s MET 84 N 0.74 2.44 0.19 1.67 -1.94 0.33 -0.87 119.30 121.87 3miq s MET 84 Ca 0.51 -0.71 0.05 0.00 -1.71 0.00 0.00 55.69 53.83 3miq s MET 84 Cb -0.23 -1.93 -0.05 0.00 2.01 0.00 0.00 34.83 34.64 3miq s MET 84 CO 0.29 0.17 -0.07 -0.80 -0.01 0.00 0.00 175.02 174.60 3miq s ASN 85 N 0.34 1.97 -1.43 3.03 0.01 -0.48 -1.74 114.94 116.64 3miq s ASN 85 Ca -0.14 -1.10 -0.08 0.00 -0.71 0.00 0.00 52.86 50.83 3miq s ASN 85 Cb -0.16 -0.03 0.05 0.00 0.41 0.00 0.00 41.25 41.52 3miq s ASN 85 CO 0.06 -0.38 0.89 -1.20 -1.51 0.00 0.00 177.10 174.97 3miq n SER 86 N -0.33 -3.48 -4.73 -1.22 7.64 -1.13 -4.72 113.62 105.64 3miq n SER 86 Ca -0.08 -0.77 -0.42 0.00 1.01 0.00 0.00 58.87 58.61 3miq n SER 86 Cb 0.62 -4.06 -0.02 0.00 -1.01 0.00 0.00 64.21 59.74 3miq n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3miq n LEU 87 N -4.55 4.14 -4.73 -3.43 4.77 -0.86 -4.64 117.00 107.69 3miq n LEU 87 Ca -0.10 1.15 -0.23 0.00 -0.03 0.00 0.00 56.01 56.80 3miq n LEU 87 Cb 0.59 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 3miq n LEU 87 CO 0.72 0.02 -0.19 -0.54 -1.33 0.00 0.00 177.39 176.06 3miq s LYS 88 N -0.61 2.36 0.45 3.23 1.02 -1.26 -0.16 119.74 124.76 3miq s LYS 88 Ca 0.64 -1.57 0.10 0.00 0.02 0.00 0.00 55.97 55.16 3miq s LYS 88 Cb -0.52 -2.16 1.00 0.00 -0.52 0.00 0.00 37.83 35.63 3miq s LYS 88 CO 0.50 0.09 2.09 -1.35 -0.92 0.00 0.00 175.35 175.76 3miq h PRO 89 N 1.53 0.36 0.00 -1.68 0.11 -1.96 -1.84 132.00 128.52 3miq h PRO 89 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3miq h PRO 89 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3miq h PRO 89 CO 0.64 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 177.81 3miq n GLU 90 N -4.50 0.34 0.00 1.05 0.00 -1.26 -1.65 120.64 114.62 3miq n GLU 90 Ca 0.01 0.09 0.15 0.00 0.00 0.00 0.00 57.16 57.40 3miq n GLU 90 Cb 0.07 -1.50 0.66 0.00 0.00 0.00 0.00 31.44 30.67 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 -1.20 0.72 -4.73 -1.84 8.00 -0.69 -4.85 116.55 111.96 3miq n ASP 91 Ca 0.10 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 3miq n ASP 91 Cb 0.11 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.19 2.67 0.00 -3.53 2.01 -0.66 -4.88 115.64 109.05 3miq s THR 92 Ca 0.37 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.88 3miq s THR 92 Cb 0.21 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3miq s THR 92 CO 0.40 0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.39 3miq n ALA 93 N 3.24 0.00 -2.58 7.40 0.00 -0.58 -4.57 120.51 123.43 3miq n ALA 93 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3miq n ALA 93 Cb 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 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 4.97 -0.20 0.00 1.01 -0.64 -1.10 120.40 122.44 3miq s VAL 94 Ca 0.00 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.24 3miq s VAL 94 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3miq s VAL 94 CO 0.00 0.34 0.06 -0.31 0.00 0.00 0.00 175.10 175.20 3miq s TYR 95 N 0.26 3.20 0.06 5.22 1.51 0.47 -0.60 117.35 127.45 3miq s TYR 95 Ca 0.34 -0.05 0.07 0.00 -1.01 0.00 0.00 57.07 56.42 3miq s TYR 95 Cb -0.18 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 3miq s TYR 95 CO 0.17 0.02 -0.17 0.71 -1.11 0.00 0.00 175.55 175.17 3miq s TYR 96 N 0.68 2.58 0.11 2.71 2.02 -0.42 -1.62 117.35 123.41 3miq s TYR 96 Ca 0.03 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 3miq s TYR 96 Cb -0.13 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 3miq s TYR 96 CO 0.02 0.29 0.15 0.00 -1.57 0.00 0.00 175.55 174.44 3miq s ASN 98 N -2.76 -0.25 0.05 0.00 2.47 0.24 -2.33 114.94 112.36 3miq s ASN 98 Ca 0.31 0.50 -0.07 0.00 0.42 0.00 0.00 52.86 54.02 3miq s ASN 98 Cb -0.11 0.44 -0.01 0.00 -1.45 0.00 0.00 41.25 40.11 3miq s ASN 98 CO 0.24 -0.13 0.12 0.54 -3.72 0.00 0.00 177.10 174.16 3miq s VAL 99 N 0.73 0.14 -0.30 -5.21 0.11 -0.95 -1.47 120.40 113.45 3miq s VAL 99 Ca -0.05 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 57.86 3miq s VAL 99 Cb -0.06 -1.09 0.09 0.00 -1.53 0.00 0.00 36.38 33.78 3miq s VAL 99 CO -0.04 -0.64 0.02 0.21 -3.33 0.00 0.00 175.10 171.31 3miq s ASN 100 N -2.40 4.38 -0.33 3.54 3.04 -1.26 -0.65 114.94 121.25 3miq s ASN 100 Ca -0.01 -1.75 0.01 0.00 0.04 0.00 0.00 52.86 51.15 3miq s ASN 100 Cb 0.02 -1.36 0.10 0.00 -1.54 0.00 0.00 41.25 38.47 3miq s ASN 100 CO -0.07 -0.34 0.09 0.54 -3.04 0.00 0.00 177.10 174.28 3miq s VAL 101 N 1.18 1.47 0.00 -5.21 0.11 -1.26 -4.89 120.40 111.80 3miq s VAL 101 Ca 0.05 -1.84 0.00 0.00 -2.93 0.00 0.00 61.98 57.26 3miq s VAL 101 Cb -0.19 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.57 3miq s VAL 101 CO -0.11 -0.66 0.00 0.61 -3.33 0.00 0.00 175.10 171.61 3miq n GLY 102 N 4.54 2.33 3.94 6.54 0.00 -1.26 -4.77 105.19 116.51 3miq n GLY 102 Ca 0.01 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 1.53 0.12 1.61 0.08 -1.26 -5.12 117.98 114.95 3miq s PHE 103 Ca 0.00 -0.82 -0.24 0.00 0.12 0.00 0.00 56.93 55.99 3miq s PHE 103 Cb 0.00 -1.98 -0.07 0.00 -0.57 0.00 0.00 43.02 40.40 3miq s PHE 103 CO 0.00 -0.66 0.73 -2.00 -0.10 0.00 0.00 175.22 173.19 3miq s GLU 104 N -4.38 4.48 -0.01 0.44 2.12 -1.26 -4.46 118.70 115.63 3miq s GLU 104 Ca 0.41 1.05 0.07 0.00 0.36 0.00 0.00 54.97 56.85 3miq s GLU 104 Cb -0.03 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 3miq s GLU 104 CO 0.25 0.53 -0.21 0.71 -0.54 0.00 0.00 175.26 176.01 3miq s TYR 105 N -0.94 1.85 0.12 5.30 2.02 0.18 -4.99 117.35 120.89 3miq s TYR 105 Ca 0.35 -0.35 0.10 0.00 -0.37 0.00 0.00 57.07 56.79 3miq s TYR 105 Cb -0.22 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 3miq s TYR 105 CO 0.24 -0.01 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.38 3miq s TRP 106 N -0.54 2.18 1.04 2.71 0.52 -1.26 -2.24 118.94 121.35 3miq s TRP 106 Ca 0.08 -0.39 -0.17 0.00 0.02 0.00 0.00 56.10 55.64 3miq s TRP 106 Cb -0.08 -1.19 0.22 0.00 -1.15 0.00 0.00 33.47 31.27 3miq s TRP 106 CO -0.00 0.29 1.22 0.20 0.02 0.00 0.00 176.95 178.68 3miq s GLY 107 N -1.97 1.68 0.00 0.98 0.00 -0.99 -4.56 107.32 102.46 3miq s GLY 107 Ca 0.12 -1.01 0.26 0.00 0.00 0.00 0.00 44.72 44.09 3miq s GLY 107 CO 0.05 -0.23 1.52 0.61 0.00 0.00 0.00 173.10 175.05 3miq n GLN 108 N -4.12 0.83 0.00 2.90 0.00 -1.26 -4.83 117.38 110.90 3miq n GLN 108 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 57.00 56.62 3miq n GLN 108 Cb 0.59 -1.49 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 1.35 0.96 3.06 2.61 0.00 -1.26 -5.05 105.19 106.86 3miq n GLY 109 Ca 0.12 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.30 -0.00 -0.06 2.61 -1.32 -0.64 -4.69 115.64 109.24 3miq s THR 110 Ca 0.00 0.01 -0.21 0.00 -1.21 0.00 0.00 61.69 60.28 3miq s THR 110 Cb 0.00 -0.27 -0.04 0.00 -1.51 0.00 0.00 72.50 70.68 3miq s THR 110 CO 0.00 0.00 0.59 -1.58 -2.21 0.00 0.00 174.62 171.42 3miq s GLN 111 N 0.14 4.36 -0.17 7.08 2.00 -1.26 -0.40 119.66 131.41 3miq s GLN 111 Ca -0.00 0.69 0.01 0.00 -2.00 0.00 0.00 55.36 54.06 3miq s GLN 111 Cb -0.02 -3.41 0.02 0.00 0.80 0.00 0.00 33.01 30.41 3miq s GLN 111 CO -0.00 0.20 -0.17 0.08 -0.50 0.00 0.00 175.29 174.90 3miq s VAL 112 N 0.40 1.88 -0.14 1.34 1.01 -0.26 -1.37 120.40 123.27 3miq s VAL 112 Ca 0.32 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3miq s VAL 112 Cb -0.17 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.47 3miq s VAL 112 CO 0.15 0.48 -0.21 -0.89 0.00 0.00 0.00 175.10 174.63 3miq s THR 113 N 1.35 2.20 -0.35 3.92 2.01 -0.84 -1.53 115.64 122.40 3miq s THR 113 Ca 0.04 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.11 3miq s THR 113 Cb -0.13 -1.88 0.09 0.00 0.01 0.00 0.00 72.50 70.59 3miq s THR 113 CO -0.12 0.54 0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 3miq s VAL 114 N 0.73 2.69 0.00 3.82 1.01 -1.26 -0.76 120.40 126.63 3miq s VAL 114 Ca -0.09 -2.05 -0.29 0.00 0.00 0.00 0.00 61.98 59.56 3miq s VAL 114 Cb -0.16 -2.83 0.07 0.00 0.00 0.00 0.00 36.38 33.46 3miq s VAL 114 CO 0.00 -0.50 0.65 -0.94 0.00 0.00 0.00 175.10 174.31 3miq s SER 115 N 1.27 -0.62 0.00 3.32 1.04 -0.89 -4.35 113.70 113.46 3miq s SER 115 Ca 0.06 0.52 0.15 0.00 0.48 0.00 0.00 55.95 57.16 3miq s SER 115 Cb -0.20 0.55 0.89 0.00 0.10 0.00 0.00 66.02 67.35 3miq s SER 115 CO -0.06 -0.70 1.31 -1.54 0.98 0.00 0.00 173.24 173.24