#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3miq s GLN 2 N 0.00 3.59 0.32 0.03 1.03 -1.26 -4.85 119.66 118.52 3miq s GLN 2 Ca 0.00 -0.46 -0.29 0.00 0.04 0.00 0.00 55.36 54.65 3miq s GLN 2 Cb 0.00 -2.95 -0.10 0.00 0.03 0.00 0.00 33.01 29.99 3miq s GLN 2 CO 0.00 0.35 1.42 0.54 -2.54 0.00 0.00 175.29 175.06 3miq s VAL 3 N 0.09 2.47 -0.23 3.63 0.11 -1.26 -4.38 120.40 120.83 3miq s VAL 3 Ca 0.01 0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 59.30 3miq s VAL 3 Cb -0.13 -3.28 0.06 0.00 -1.53 0.00 0.00 36.38 31.50 3miq s VAL 3 CO 0.02 0.09 0.61 -1.58 -3.33 0.00 0.00 175.10 170.91 3miq s GLN 4 N -1.38 0.70 -0.06 1.54 0.74 -0.55 -4.99 119.66 115.67 3miq s GLN 4 Ca 0.54 0.87 0.05 0.00 0.05 0.00 0.00 55.36 56.86 3miq s GLN 4 Cb -0.43 0.32 -0.00 0.00 1.10 0.00 0.00 33.01 34.00 3miq s GLN 4 CO 0.53 -0.09 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.46 3miq s LEU 5 N 0.44 1.96 -0.28 3.68 1.43 -1.26 -1.67 118.68 122.98 3miq s LEU 5 Ca -0.01 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3miq s LEU 5 Cb -0.04 -1.14 0.09 0.00 0.03 0.00 0.00 46.19 45.13 3miq s LEU 5 CO -0.01 0.17 0.07 -0.69 0.23 0.00 0.00 176.35 176.12 3miq s VAL 6 N 0.06 0.89 0.38 -1.59 1.01 -0.61 -4.08 120.40 116.45 3miq s VAL 6 Ca -0.06 -1.21 -0.23 0.00 0.00 0.00 0.00 61.98 60.48 3miq s VAL 6 Cb -0.13 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.58 3miq s VAL 6 CO 0.04 -0.52 0.94 -1.61 0.00 0.00 0.00 175.10 173.95 3miq s GLU 7 N 1.64 4.35 0.17 2.72 8.01 -1.26 -1.44 118.70 132.89 3miq s GLU 7 Ca 0.06 1.18 -0.13 0.00 0.01 0.00 0.00 54.97 56.09 3miq s GLU 7 Cb -0.17 -2.43 0.01 0.00 -4.31 0.00 0.00 34.13 27.23 3miq s GLU 7 CO -0.19 0.10 0.38 -1.54 0.01 0.00 0.00 175.26 174.01 3miq s SER 8 N -1.97 -0.08 0.00 -0.19 1.04 0.16 -4.71 113.70 107.94 3miq s SER 8 Ca 0.57 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3miq s SER 8 Cb -0.13 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3miq s SER 8 CO 0.17 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3miq n GLY 9 N -0.25 1.25 3.73 7.32 0.00 -1.26 -1.00 105.19 114.97 3miq n GLY 9 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.55 2.72 0.05 -0.02 0.00 -1.26 -4.71 107.32 102.55 3miq s GLY 10 Ca 0.00 1.12 -0.28 0.00 0.00 0.00 0.00 44.72 45.56 3miq s GLY 10 CO 0.00 1.54 1.06 0.00 0.00 0.00 0.00 173.10 175.70 3miq s ALA 11 N -1.55 -1.88 -0.03 3.20 0.00 -0.59 -4.88 121.76 116.02 3miq s ALA 11 Ca 0.80 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 53.05 3miq s ALA 11 Cb -0.35 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 3miq s ALA 11 CO 0.41 -0.94 0.86 -1.17 0.00 0.00 0.00 175.76 174.91 3miq s LEU 12 N -2.80 4.34 0.03 0.00 2.96 -1.26 -1.96 118.68 119.99 3miq s LEU 12 Ca 0.11 1.45 -0.02 0.00 -0.22 0.00 0.00 54.13 55.45 3miq s LEU 12 Cb 0.00 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 3miq s LEU 12 CO -0.02 -0.21 0.00 0.68 -1.32 0.00 0.00 176.35 175.48 3miq s VAL 13 N 0.98 0.14 0.34 1.68 -7.23 0.49 -4.96 120.40 111.84 3miq s VAL 13 Ca 0.46 -1.17 -0.18 0.00 -1.81 0.00 0.00 61.98 59.28 3miq s VAL 13 Cb -0.19 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.94 3miq s VAL 13 CO 0.23 -0.64 0.80 -1.10 -0.31 0.00 0.00 175.10 174.08 3miq s GLN 14 N -2.31 4.12 0.20 4.82 -0.21 -1.26 -2.29 119.66 122.74 3miq s GLN 14 Ca -0.08 0.85 -0.31 0.00 0.02 0.00 0.00 55.36 55.84 3miq s GLN 14 Cb -0.04 -2.43 -0.16 0.00 1.00 0.00 0.00 33.01 31.38 3miq s GLN 14 CO -0.04 0.14 1.05 -2.30 -2.12 0.00 0.00 175.29 172.02 3miq n PRO 15 N -0.26 1.03 -0.04 2.91 -0.02 -1.26 -0.47 135.00 136.88 3miq n PRO 15 Ca 0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3miq n PRO 15 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.79 1.59 3.75 -1.23 0.00 0.11 -4.94 105.19 106.25 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 -1.97 1.68 0.16 -0.02 0.00 0.38 -3.81 107.32 103.74 3miq s GLY 17 Ca 0.00 -1.11 0.08 0.00 0.00 0.00 0.00 44.72 43.69 3miq s GLY 17 CO 0.00 -0.26 -0.17 -0.56 0.00 0.00 0.00 173.10 172.11 3miq s SER 18 N -4.39 2.50 -0.16 1.64 0.01 -1.26 -2.20 113.70 109.84 3miq s SER 18 Ca 0.73 -0.87 -0.27 0.00 1.31 0.00 0.00 55.95 56.86 3miq s SER 18 Cb -0.06 -0.13 0.07 0.00 0.21 0.00 0.00 66.02 66.10 3miq s SER 18 CO 0.55 -0.08 0.68 -0.22 0.41 0.00 0.00 173.24 174.57 3miq s LEU 19 N -2.69 -0.61 -0.27 2.44 2.96 -0.63 -5.02 118.68 114.87 3miq s LEU 19 Ca 0.15 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 3miq s LEU 19 Cb -0.05 2.41 0.08 0.00 0.50 0.00 0.00 46.19 49.13 3miq s LEU 19 CO 0.06 -0.40 0.03 -0.60 -1.32 0.00 0.00 176.35 174.12 3miq s ARG 20 N -0.34 1.12 0.57 1.98 3.00 -1.26 -0.59 118.95 123.42 3miq s ARG 20 Ca -0.05 -1.07 -0.16 0.00 -1.00 0.00 0.00 55.73 53.45 3miq s ARG 20 Cb -0.03 -2.39 -0.05 0.00 0.00 0.00 0.00 34.95 32.48 3miq s ARG 20 CO 0.05 -0.80 1.03 -0.51 0.00 0.00 0.00 175.30 175.07 3miq s LEU 21 N 1.47 3.53 0.05 -0.88 1.43 -0.42 -4.75 118.68 119.11 3miq s LEU 21 Ca 0.03 1.70 -0.05 0.00 -1.03 0.00 0.00 54.13 54.78 3miq s LEU 21 Cb -0.18 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.50 3miq s LEU 21 CO -0.14 -0.93 0.07 -0.94 0.23 0.00 0.00 176.35 174.65 3miq s SER 22 N -2.98 0.24 -0.04 2.29 1.04 -0.17 -1.35 113.70 112.73 3miq s SER 22 Ca 0.61 -0.64 -0.00 0.00 0.48 0.00 0.00 55.95 56.39 3miq s SER 22 Cb -0.13 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.24 3miq s SER 22 CO 0.36 -0.54 0.01 0.00 0.98 0.00 0.00 173.24 174.05 3miq s ALA 24 N 1.44 3.58 -0.11 0.00 0.00 -0.52 -1.38 121.76 124.77 3miq s ALA 24 Ca -0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 3miq s ALA 24 Cb -0.13 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 3miq s ALA 24 CO -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 175.76 174.99 3miq s ALA 25 N 2.37 3.53 0.05 0.00 0.00 -0.74 -1.58 121.76 125.40 3miq s ALA 25 Ca 0.22 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3miq s ALA 25 Cb -0.16 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 3miq s ALA 25 CO 0.09 0.57 -0.08 -1.54 0.00 0.00 0.00 175.76 174.81 3miq s SER 26 N -0.84 0.89 0.00 0.00 1.04 -0.67 -4.84 113.70 109.27 3miq s SER 26 Ca 0.13 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.94 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 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.61 3miq n GLY 27 N 1.23 0.61 3.50 7.32 0.00 -1.26 -1.48 105.19 115.11 3miq n GLY 27 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.12 -0.44 -0.11 1.61 -0.71 -1.26 -4.62 117.98 110.33 3miq s PHE 28 Ca 0.00 0.22 -0.30 0.00 -1.04 0.00 0.00 56.93 55.81 3miq s PHE 28 Cb 0.00 0.57 -0.01 0.00 -1.21 0.00 0.00 43.02 42.37 3miq s PHE 28 CO 0.00 -0.82 1.05 -2.14 -1.34 0.00 0.00 175.22 171.97 3miq s PRO 29 N -3.60 4.39 0.00 1.99 0.02 -1.26 -4.89 135.00 131.65 3miq s PRO 29 Ca 0.03 1.44 0.14 0.00 0.02 0.00 0.00 61.00 62.63 3miq s PRO 29 Cb -0.02 -3.56 0.67 0.00 0.02 0.00 0.00 34.50 31.62 3miq s PRO 29 CO -0.09 -0.37 1.37 1.55 -0.33 0.00 0.00 177.00 179.12 3miq n VAL 30 N 4.65 0.68 -1.21 3.83 3.14 -1.26 -2.05 118.33 126.10 3miq n VAL 30 Ca 0.09 0.17 -0.04 0.00 -2.96 0.00 0.00 64.34 61.61 3miq n VAL 30 Cb 0.48 -0.94 0.24 0.00 -1.06 0.00 0.00 33.84 32.55 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 -1.31 3.55 0.00 6.55 6.94 -1.26 -4.26 115.26 125.47 3miq n ASN 31 Ca 0.06 -3.43 0.00 0.00 -0.02 0.00 0.00 54.58 51.19 3miq n ASN 31 Cb 0.11 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 36.87 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 -0.75 -0.16 -4.05 -3.83 5.12 -0.87 -4.73 116.66 107.39 3miq n ARG 32 Ca 0.36 -0.19 -0.12 0.00 -1.93 0.00 0.00 57.85 55.96 3miq n ARG 32 Cb 1.17 -0.67 -0.12 0.00 -1.16 0.00 0.00 32.46 31.68 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 -0.03 0.55 -0.00 -1.55 1.51 -1.25 -4.87 117.35 111.71 3miq s TYR 33 Ca 0.00 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.30 3miq s TYR 33 Cb 0.00 -0.34 -0.04 0.00 -0.11 0.00 0.00 41.96 41.47 3miq s TYR 33 CO 0.00 -0.10 1.14 -1.54 -1.11 0.00 0.00 175.55 173.94 3miq s SER 34 N -1.40 7.14 -0.10 2.29 1.04 -1.26 -4.07 113.70 117.34 3miq s SER 34 Ca -0.10 1.84 -0.04 0.00 0.48 0.00 0.00 55.95 58.14 3miq s SER 34 Cb -0.09 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 3miq s SER 34 CO 0.00 -0.46 0.04 -0.04 0.98 0.00 0.00 173.24 173.76 3miq s MET 35 N 1.48 3.19 0.10 4.02 1.00 -1.01 -4.51 119.30 123.57 3miq s MET 35 Ca 0.56 -0.33 0.05 0.00 0.00 0.00 0.00 55.69 55.96 3miq s MET 35 Cb -0.25 -2.93 -0.04 0.00 0.00 0.00 0.00 34.83 31.61 3miq s MET 35 CO 0.26 0.68 -0.12 1.03 0.00 0.00 0.00 175.02 176.87 3miq s ARG 36 N -0.80 0.90 -0.08 2.03 0.52 -0.70 -1.30 118.95 119.53 3miq s ARG 36 Ca 0.13 -1.15 0.03 0.00 -0.52 0.00 0.00 55.73 54.22 3miq s ARG 36 Cb -0.12 -0.71 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 3miq s ARG 36 CO 0.03 0.13 -0.17 -1.58 0.02 0.00 0.00 175.30 173.73 3miq s TRP 37 N -2.14 2.66 0.37 -0.53 0.52 0.57 -0.73 118.94 119.66 3miq s TRP 37 Ca 0.05 -0.45 0.08 0.00 0.02 0.00 0.00 56.10 55.80 3miq s TRP 37 Cb -0.05 -1.68 -0.07 0.00 -1.15 0.00 0.00 33.47 30.52 3miq s TRP 37 CO 0.01 -0.04 -0.03 0.71 0.02 0.00 0.00 176.95 177.63 3miq s TYR 38 N -0.27 2.40 -0.04 -1.98 2.02 0.19 -0.37 117.35 119.30 3miq s TYR 38 Ca 0.01 -0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 56.03 3miq s TYR 38 Cb -0.13 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3miq s TYR 38 CO 0.03 0.45 0.12 -0.98 -1.57 0.00 0.00 175.55 173.61 3miq s ARG 39 N -3.69 0.18 -0.22 -0.62 1.70 -0.05 -1.06 118.95 115.18 3miq s ARG 39 Ca 0.34 0.11 0.01 0.00 -0.47 0.00 0.00 55.73 55.72 3miq s ARG 39 Cb 0.07 0.08 0.05 0.00 -0.57 0.00 0.00 34.95 34.58 3miq s ARG 39 CO 0.17 -0.03 -0.09 -1.14 -1.08 0.00 0.00 175.30 173.13 3miq s GLN 40 N -0.08 1.99 1.19 3.89 0.74 0.08 -0.65 119.66 126.82 3miq s GLN 40 Ca -0.02 -0.98 -0.18 0.00 0.05 0.00 0.00 55.36 54.23 3miq s GLN 40 Cb -0.02 -2.56 0.28 0.00 1.10 0.00 0.00 33.01 31.81 3miq s GLN 40 CO 0.00 -0.49 1.09 0.00 -0.55 0.00 0.00 175.29 175.34 3miq s ALA 41 N 1.33 0.53 0.03 1.58 0.00 -1.26 -1.65 121.76 122.32 3miq s ALA 41 Ca -0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 3miq s ALA 41 Cb -0.18 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3miq s ALA 41 CO -0.07 -3.55 1.08 -2.14 0.00 0.00 0.00 175.76 171.07 3miq s PRO 42 N -5.29 4.51 -1.34 0.00 0.02 -1.26 -3.33 135.00 128.31 3miq s PRO 42 Ca 0.70 1.58 -0.02 0.00 0.02 0.00 0.00 61.00 63.28 3miq s PRO 42 Cb -0.12 -3.41 -0.00 0.00 0.02 0.00 0.00 34.50 30.99 3miq s PRO 42 CO 0.57 -0.14 0.56 0.41 -0.33 0.00 0.00 177.00 178.07 3miq n GLY 43 N 3.02 -0.31 3.22 0.52 0.00 -1.26 -5.00 105.19 105.39 3miq n GLY 43 Ca 0.07 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.27 1.03 0.33 1.61 1.02 -1.21 -5.14 119.74 111.11 3miq s LYS 44 Ca 0.04 -1.35 -0.27 0.00 0.02 0.00 0.00 55.97 54.41 3miq s LYS 44 Cb -0.01 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.50 3miq s LYS 44 CO 0.86 -0.33 1.04 -1.21 -0.92 0.00 0.00 175.35 174.78 3miq s GLU 45 N -4.02 4.46 0.23 1.68 2.02 -1.26 -4.58 118.70 117.22 3miq s GLU 45 Ca 0.22 1.58 -0.31 0.00 0.02 0.00 0.00 54.97 56.48 3miq s GLU 45 Cb 0.06 -2.87 -0.14 0.00 0.10 0.00 0.00 34.13 31.27 3miq s GLU 45 CO 0.02 0.11 1.26 -2.13 0.02 0.00 0.00 175.26 174.54 3miq n ARG 46 N 0.61 1.64 -5.01 1.61 0.63 -1.26 -4.65 116.66 110.23 3miq n ARG 46 Ca 0.02 0.58 -0.29 0.00 -0.92 0.00 0.00 57.85 57.24 3miq n ARG 46 Cb 0.48 -2.14 -0.17 0.00 0.45 0.00 0.00 32.46 31.08 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 -0.64 2.51 0.23 -0.14 2.12 0.18 -4.95 118.70 118.01 3miq s GLU 47 Ca 0.68 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 3miq s GLU 47 Cb -0.72 -1.96 -0.09 0.00 0.26 0.00 0.00 34.13 31.62 3miq s GLU 47 CO 0.53 0.16 1.20 -0.46 -0.54 0.00 0.00 175.26 176.14 3miq s TRP 48 N 0.37 3.40 -0.03 5.30 -0.00 -1.26 -0.87 118.94 125.84 3miq s TRP 48 Ca -0.15 1.48 -0.02 0.00 -0.00 0.00 0.00 56.10 57.40 3miq s TRP 48 Cb -0.16 -3.44 -0.02 0.00 -0.00 0.00 0.00 33.47 29.84 3miq s TRP 48 CO 0.06 -1.19 -0.06 0.28 -0.00 0.00 0.00 176.95 176.05 3miq n VAL 49 N 1.90 0.42 -3.86 5.86 0.31 0.50 -4.62 118.33 118.84 3miq n VAL 49 Ca 0.02 0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 3miq n VAL 49 Cb 0.44 -1.58 -0.04 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 -2.09 -0.83 -0.06 3.52 0.00 -0.99 -1.61 121.76 119.71 3miq s ALA 50 Ca -0.06 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 3miq s ALA 50 Cb 0.02 0.92 0.11 0.00 0.00 0.00 0.00 23.12 24.17 3miq s ALA 50 CO 0.07 -0.90 0.94 0.20 0.00 0.00 0.00 175.76 176.08 3miq s GLY 51 N -2.93 -0.40 0.04 0.00 0.00 -0.52 -0.31 107.32 103.19 3miq s GLY 51 Ca 0.14 1.32 0.03 0.00 0.00 0.00 0.00 44.72 46.21 3miq s GLY 51 CO 0.04 0.53 -0.10 -3.16 0.00 0.00 0.00 173.10 170.41 3miq s MET 52 N -2.54 0.67 0.79 2.90 0.23 -0.42 -1.17 119.30 119.76 3miq s MET 52 Ca 0.04 -0.68 -0.13 0.00 -1.03 0.00 0.00 55.69 53.88 3miq s MET 52 Cb -0.01 -0.58 0.07 0.00 -1.53 0.00 0.00 34.83 32.79 3miq s MET 52 CO -0.06 0.13 1.20 -1.54 -2.03 0.00 0.00 175.02 172.72 3miq s SER 53 N -1.20 3.75 0.25 -1.18 1.04 -0.52 -2.40 113.70 113.44 3miq s SER 53 Ca -0.03 2.33 -0.04 0.00 0.48 0.00 0.00 55.95 58.68 3miq s SER 53 Cb -0.08 -2.58 0.49 0.00 0.10 0.00 0.00 66.02 63.94 3miq s SER 53 CO 0.01 -2.56 1.69 0.77 0.98 0.00 0.00 173.24 174.12 3miq h SER 54 N -0.82 0.04 0.90 7.02 4.64 -1.90 -0.29 113.55 123.14 3miq h SER 54 Ca -0.46 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3miq h SER 54 Cb 1.29 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 3miq h SER 54 CO 0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.39 3miq n ALA 55 N -2.65 1.89 -0.23 5.18 0.00 -1.26 -4.17 120.51 119.26 3miq n ALA 55 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3miq n ALA 55 Cb 0.48 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.49 1.68 0.06 0.00 0.00 -0.12 -4.91 105.19 102.39 3miq n GLY 56 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 0.44 -3.86 1.61 5.75 -1.26 -4.81 116.55 114.42 3miq n ASP 57 Ca 0.00 0.56 -0.13 0.00 -0.01 0.00 0.00 54.79 55.21 3miq n ASP 57 Cb 0.00 -0.67 -0.14 0.00 -1.03 0.00 0.00 41.12 39.28 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 0.03 -0.01 0.11 0.52 -1.26 -5.03 118.95 110.22 3miq s ARG 58 Ca 0.10 0.02 0.05 0.00 -0.52 0.00 0.00 55.73 55.38 3miq s ARG 58 Cb 0.14 -0.07 -0.01 0.00 0.52 0.00 0.00 34.95 35.52 3miq s ARG 58 CO 0.51 -0.02 -0.15 -1.12 0.02 0.00 0.00 175.30 174.53 3miq s SER 59 N 0.18 1.74 0.04 0.23 0.01 -1.26 -1.43 113.70 113.20 3miq s SER 59 Ca -0.01 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.01 3miq s SER 59 Cb -0.02 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 3miq s SER 59 CO -0.01 0.18 -0.12 -0.44 0.41 0.00 0.00 173.24 173.27 3miq s SER 60 N -0.37 1.38 0.06 2.44 0.01 -0.32 -5.00 113.70 111.91 3miq s SER 60 Ca 0.06 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 56.90 3miq s SER 60 Cb -0.06 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 3miq s SER 60 CO -0.01 -0.01 -0.07 -0.31 0.41 0.00 0.00 173.24 173.25 3miq s TYR 61 N -0.88 0.77 0.55 2.43 2.02 -1.26 -1.44 117.35 119.53 3miq s TYR 61 Ca -0.01 -0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 55.87 3miq s TYR 61 Cb -0.08 -0.45 -0.06 0.00 -0.40 0.00 0.00 41.96 40.97 3miq s TYR 61 CO 0.01 -0.11 1.02 -1.83 -1.57 0.00 0.00 175.55 173.07 3miq s GLU 62 N -2.45 3.65 0.26 -0.62 -1.05 -0.63 -4.83 118.70 113.02 3miq s GLU 62 Ca -0.01 1.10 -0.02 0.00 -0.15 0.00 0.00 54.97 55.88 3miq s GLU 62 Cb -0.04 -2.09 0.52 0.00 -0.44 0.00 0.00 34.13 32.08 3miq s GLU 62 CO -0.02 -0.53 1.73 -0.44 0.95 0.00 0.00 175.26 176.95 3miq h ASP 63 N 0.74 0.32 0.39 0.83 3.32 -1.94 -1.91 116.42 118.17 3miq h ASP 63 Ca -0.47 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3miq h ASP 63 Cb 1.20 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3miq h ASP 63 CO 0.59 0.10 0.00 0.77 -1.72 0.00 0.00 179.24 178.99 3miq h SER 64 N 0.46 0.00 0.00 6.45 4.64 -1.97 -2.88 113.55 120.25 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 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3miq h SER 64 CO -0.42 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.87 3miq n VAL 65 N -2.37 0.00 -1.68 0.95 0.24 -0.78 -5.00 118.33 109.69 3miq n VAL 65 Ca 0.00 -0.46 -0.55 0.00 -2.04 0.00 0.00 64.34 61.29 3miq n VAL 65 Cb 0.14 1.01 -0.06 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 -0.75 1.36 -0.00 7.34 3.00 -0.84 -1.01 118.16 127.25 3miq n LYS 66 Ca 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 3miq n LYS 66 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 35.03 32.83 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 3.88 0.64 0.03 3.14 0.00 -1.26 -4.83 105.19 106.79 3miq n GLY 67 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 1.85 -3.95 1.61 1.74 -0.18 -5.02 116.66 110.70 3miq n ARG 68 Ca 0.00 0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 3miq n ARG 68 Cb 0.00 -1.15 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.15 3.45 -0.11 -1.55 0.40 -0.99 -1.60 117.98 115.43 3miq s PHE 69 Ca -0.06 0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.38 3miq s PHE 69 Cb 0.02 -1.68 0.05 0.00 0.51 0.00 0.00 43.02 41.92 3miq s PHE 69 CO 0.22 0.54 0.10 0.99 0.70 0.00 0.00 175.22 177.77 3miq s THR 70 N -1.65 -0.15 0.31 0.64 2.01 0.01 -4.91 115.64 111.90 3miq s THR 70 Ca 0.34 0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.37 3miq s THR 70 Cb -0.12 -0.36 -0.09 0.00 0.01 0.00 0.00 72.50 71.94 3miq s THR 70 CO 0.28 -0.01 0.71 -0.51 -0.69 0.00 0.00 174.62 174.40 3miq s ILE 71 N 2.20 4.71 0.28 1.82 2.07 -1.26 -0.93 121.20 130.08 3miq s ILE 71 Ca 0.04 0.89 -0.20 0.00 -1.41 0.00 0.00 60.65 59.97 3miq s ILE 71 Cb -0.14 -3.61 0.05 0.00 0.13 0.00 0.00 42.46 38.89 3miq s ILE 71 CO -0.06 -0.17 0.84 -0.94 -1.91 0.00 0.00 174.94 172.70 3miq s SER 72 N -2.28 -0.11 0.02 4.50 1.04 -1.02 -4.98 113.70 110.87 3miq s SER 72 Ca 0.53 -0.76 -0.19 0.00 0.48 0.00 0.00 55.95 56.01 3miq s SER 72 Cb -0.10 0.69 0.04 0.00 0.10 0.00 0.00 66.02 66.74 3miq s SER 72 CO 0.18 -1.32 0.43 0.00 0.98 0.00 0.00 173.24 173.50 3miq s ARG 73 N -2.97 0.89 -0.38 4.02 1.70 -1.26 -0.59 118.95 120.35 3miq s ARG 73 Ca 0.14 -0.24 -0.04 0.00 -0.47 0.00 0.00 55.73 55.12 3miq s ARG 73 Cb -0.04 0.40 0.08 0.00 -0.57 0.00 0.00 34.95 34.82 3miq s ARG 73 CO 0.07 -0.29 0.16 0.34 -1.08 0.00 0.00 175.30 174.50 3miq s ASP 74 N -1.75 5.26 0.15 -2.89 3.68 -0.06 -4.99 116.67 116.07 3miq s ASP 74 Ca -0.08 -1.66 -0.17 0.00 2.13 0.00 0.00 52.55 52.77 3miq s ASP 74 Cb -0.02 -1.84 0.06 0.00 -1.45 0.00 0.00 42.92 39.67 3miq s ASP 74 CO 0.01 -0.46 1.73 0.44 0.13 0.00 0.00 175.17 177.02 3miq h ASP 75 N 8.13 -0.02 -0.60 -0.34 3.45 -1.96 -0.83 116.42 124.25 3miq h ASP 75 Ca -0.18 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.31 3miq h ASP 75 Cb 1.06 0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.89 3miq h ASP 75 CO 0.66 0.03 0.27 0.00 -1.57 0.00 0.00 179.24 178.63 3miq h ALA 76 N 1.26 0.78 -0.00 3.45 0.00 -1.96 -1.75 119.26 121.03 3miq h ALA 76 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3miq h ALA 76 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3miq h ALA 76 CO -0.22 0.36 -0.01 0.54 0.00 0.00 0.00 179.25 179.92 3miq n ARG 77 N -4.50 1.13 -3.87 0.00 1.74 -1.14 -4.93 116.66 105.08 3miq n ARG 77 Ca 0.04 -0.30 -0.24 0.00 -0.77 0.00 0.00 57.85 56.57 3miq n ARG 77 Cb 0.14 -1.49 -0.00 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 -0.67 -0.77 -4.18 0.55 4.05 -0.36 -4.82 115.26 109.06 3miq n ASN 78 Ca 0.21 -0.94 -0.25 0.00 0.45 0.00 0.00 54.58 54.06 3miq n ASN 78 Cb 0.20 -3.40 -0.15 0.00 1.23 0.00 0.00 39.78 37.66 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 -3.83 1.42 0.01 -0.44 2.01 -0.93 -1.80 115.64 112.09 3miq s THR 79 Ca 0.04 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.22 3miq s THR 79 Cb -0.02 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3miq s THR 79 CO 0.86 0.33 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.31 3miq s VAL 80 N -0.53 3.26 0.17 3.82 1.01 -0.48 -0.88 120.40 126.78 3miq s VAL 80 Ca 0.06 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.21 3miq s VAL 80 Cb -0.07 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3miq s VAL 80 CO -0.00 0.39 -0.21 -0.31 0.00 0.00 0.00 175.10 174.97 3miq s TYR 81 N -0.95 2.02 -0.26 5.22 2.02 0.24 0.02 117.35 125.66 3miq s TYR 81 Ca 0.16 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3miq s TYR 81 Cb -0.11 -1.01 0.08 0.00 -0.40 0.00 0.00 41.96 40.53 3miq s TYR 81 CO 0.06 0.39 0.07 -1.17 -1.57 0.00 0.00 175.55 173.34 3miq s LEU 82 N -2.62 1.65 0.01 -1.29 2.96 -0.46 -2.44 118.68 116.50 3miq s LEU 82 Ca 0.17 -1.27 -0.29 0.00 -0.22 0.00 0.00 54.13 52.53 3miq s LEU 82 Cb -0.07 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 3miq s LEU 82 CO 0.08 -0.37 0.92 -1.58 -1.32 0.00 0.00 176.35 174.07 3miq s GLN 83 N 1.76 4.56 -0.07 1.98 2.00 -0.11 -1.30 119.66 128.48 3miq s GLN 83 Ca 0.05 1.31 0.04 0.00 -2.00 0.00 0.00 55.36 54.76 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 -0.19 0.04 -0.19 -1.64 -0.50 0.00 0.00 175.29 172.81 3miq s MET 84 N 0.70 2.26 0.18 1.67 -1.94 0.25 -0.81 119.30 121.61 3miq s MET 84 Ca 0.48 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.83 3miq s MET 84 Cb -0.21 -1.83 -0.05 0.00 2.01 0.00 0.00 34.83 34.76 3miq s MET 84 CO 0.26 0.18 -0.09 -0.80 -0.01 0.00 0.00 175.02 174.57 3miq s ASN 85 N 0.29 1.96 -1.45 3.03 0.01 -0.63 -1.61 114.94 116.54 3miq s ASN 85 Ca -0.12 -1.06 -0.10 0.00 -0.71 0.00 0.00 52.86 50.86 3miq s ASN 85 Cb -0.15 -0.03 0.05 0.00 0.41 0.00 0.00 41.25 41.53 3miq s ASN 85 CO 0.05 -0.34 1.00 -1.20 -1.51 0.00 0.00 177.10 175.09 3miq n SER 86 N -0.29 -4.60 -4.72 -1.22 7.64 -1.09 -4.71 113.62 104.63 3miq n SER 86 Ca -0.09 -0.72 -0.43 0.00 1.01 0.00 0.00 58.87 58.65 3miq n SER 86 Cb 0.61 -4.23 -0.01 0.00 -1.01 0.00 0.00 64.21 59.57 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 -4.69 3.93 -4.70 -3.43 4.77 -0.94 -4.63 117.00 107.32 3miq n LEU 87 Ca -0.02 1.18 -0.24 0.00 -0.03 0.00 0.00 56.01 56.89 3miq n LEU 87 Cb 0.56 -1.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.04 3miq n LEU 87 CO 0.72 -0.16 -0.22 -0.54 -1.33 0.00 0.00 177.39 175.85 3miq s LYS 88 N -1.12 2.24 0.42 3.23 1.02 -1.26 0.05 119.74 124.31 3miq s LYS 88 Ca 0.61 -1.69 0.10 0.00 0.02 0.00 0.00 55.97 55.01 3miq s LYS 88 Cb -0.55 -2.04 0.90 0.00 -0.52 0.00 0.00 37.83 35.62 3miq s LYS 88 CO 0.55 0.07 2.00 -1.35 -0.92 0.00 0.00 175.35 175.69 3miq h PRO 89 N 1.61 0.27 0.00 -1.68 0.11 -1.96 -2.09 132.00 128.25 3miq h PRO 89 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3miq h PRO 89 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3miq h PRO 89 CO 0.66 0.30 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 3miq n GLU 90 N -4.38 0.26 0.00 1.05 0.00 -1.26 -1.92 120.64 114.40 3miq n GLU 90 Ca -0.00 0.12 0.15 0.00 0.00 0.00 0.00 57.16 57.42 3miq n GLU 90 Cb 0.18 -1.50 0.71 0.00 0.00 0.00 0.00 31.44 30.83 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 -1.23 0.40 -4.72 -1.84 8.00 -0.79 -4.85 116.55 111.51 3miq n ASP 91 Ca 0.08 -0.71 -0.42 0.00 0.71 0.00 0.00 54.79 54.45 3miq n ASP 91 Cb 0.11 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.32 2.51 0.00 -3.53 2.01 -0.81 -4.88 115.64 108.62 3miq s THR 92 Ca 0.34 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.72 3miq s THR 92 Cb 0.21 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.48 3miq s THR 92 CO 0.43 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.40 3miq n ALA 93 N 3.72 0.00 -2.60 7.40 0.00 -0.49 -4.56 120.51 123.98 3miq n ALA 93 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.18 3miq n ALA 93 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 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 4.98 -0.21 0.00 1.01 -0.66 -1.14 120.40 122.38 3miq s VAL 94 Ca 0.00 1.34 -0.07 0.00 0.00 0.00 0.00 61.98 63.25 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 0.33 0.06 -0.31 0.00 0.00 0.00 175.10 175.18 3miq s TYR 95 N 0.33 3.16 0.04 5.22 1.51 0.71 -0.74 117.35 127.58 3miq s TYR 95 Ca 0.34 -0.15 0.06 0.00 -1.01 0.00 0.00 57.07 56.31 3miq s TYR 95 Cb -0.18 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 3miq s TYR 95 CO 0.17 -0.07 -0.13 0.71 -1.11 0.00 0.00 175.55 175.12 3miq s TYR 96 N 0.89 2.69 0.16 2.71 2.02 -0.23 -1.54 117.35 124.04 3miq s TYR 96 Ca 0.03 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 3miq s TYR 96 Cb -0.14 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 3miq s TYR 96 CO 0.02 0.32 0.25 0.00 -1.57 0.00 0.00 175.55 174.58 3miq s ASN 98 N -3.24 -0.34 0.04 0.00 2.47 0.09 -2.40 114.94 111.56 3miq s ASN 98 Ca 0.34 0.64 -0.05 0.00 0.42 0.00 0.00 52.86 54.21 3miq s ASN 98 Cb -0.11 0.56 -0.02 0.00 -1.45 0.00 0.00 41.25 40.24 3miq s ASN 98 CO 0.27 -0.15 0.08 0.54 -3.72 0.00 0.00 177.10 174.11 3miq s VAL 99 N 0.94 0.15 -0.36 -5.21 0.11 -0.94 -1.71 120.40 113.38 3miq s VAL 99 Ca -0.06 -1.21 0.03 0.00 -2.93 0.00 0.00 61.98 57.81 3miq s VAL 99 Cb -0.07 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.88 3miq s VAL 99 CO -0.07 -0.67 0.08 0.21 -3.33 0.00 0.00 175.10 171.32 3miq s ASN 100 N -2.29 4.62 -0.32 3.54 3.04 -1.26 -0.39 114.94 121.88 3miq s ASN 100 Ca -0.03 -2.20 0.03 0.00 0.04 0.00 0.00 52.86 50.70 3miq s ASN 100 Cb 0.00 -1.53 0.09 0.00 -1.54 0.00 0.00 41.25 38.28 3miq s ASN 100 CO -0.06 -0.37 0.04 0.54 -3.04 0.00 0.00 177.10 174.22 3miq s VAL 101 N 0.85 2.01 0.00 -5.21 0.11 -1.26 -4.89 120.40 112.01 3miq s VAL 101 Ca 0.12 -2.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.08 3miq s VAL 101 Cb -0.20 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 3miq s VAL 101 CO -0.09 -0.54 0.00 0.61 -3.33 0.00 0.00 175.10 171.75 3miq n GLY 102 N 4.38 2.24 3.95 6.54 0.00 -1.26 -4.77 105.19 116.28 3miq n GLY 102 Ca 0.01 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 1.50 0.07 1.61 0.08 -1.26 -5.12 117.98 114.87 3miq s PHE 103 Ca 0.00 -0.81 -0.24 0.00 0.12 0.00 0.00 56.93 56.00 3miq s PHE 103 Cb 0.00 -2.01 -0.06 0.00 -0.57 0.00 0.00 43.02 40.38 3miq s PHE 103 CO 0.00 -0.74 0.73 -2.00 -0.10 0.00 0.00 175.22 173.11 3miq s GLU 104 N -4.43 4.46 0.00 0.44 2.12 -1.26 -4.45 118.70 115.59 3miq s GLU 104 Ca 0.44 1.01 0.08 0.00 0.36 0.00 0.00 54.97 56.86 3miq s GLU 104 Cb -0.03 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 3miq s GLU 104 CO 0.27 0.40 -0.24 0.71 -0.54 0.00 0.00 175.26 175.86 3miq s TYR 105 N -0.45 2.18 0.09 5.30 2.02 0.48 -5.00 117.35 121.96 3miq s TYR 105 Ca 0.36 -0.41 0.09 0.00 -0.37 0.00 0.00 57.07 56.74 3miq s TYR 105 Cb -0.21 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 3miq s TYR 105 CO 0.23 0.01 -0.24 -1.58 -1.57 0.00 0.00 175.55 172.39 3miq s TRP 106 N -0.64 2.10 1.11 2.71 0.52 -1.26 -2.22 118.94 121.26 3miq s TRP 106 Ca 0.10 -0.40 -0.17 0.00 0.02 0.00 0.00 56.10 55.65 3miq s TRP 106 Cb -0.09 -1.18 0.24 0.00 -1.15 0.00 0.00 33.47 31.29 3miq s TRP 106 CO -0.00 0.22 1.13 0.20 0.02 0.00 0.00 176.95 178.51 3miq s GLY 107 N -1.69 1.59 0.00 0.98 0.00 -1.01 -4.61 107.32 102.58 3miq s GLY 107 Ca 0.11 -0.80 0.26 0.00 0.00 0.00 0.00 44.72 44.28 3miq s GLY 107 CO 0.04 -0.02 1.53 0.61 0.00 0.00 0.00 173.10 175.26 3miq n GLN 108 N -4.46 0.56 0.00 2.90 0.00 -1.26 -4.84 117.38 110.28 3miq n GLN 108 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 57.00 56.79 3miq n GLN 108 Cb 0.59 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.34 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 1.39 1.71 3.01 2.61 0.00 -1.26 -5.05 105.19 107.60 3miq n GLY 109 Ca 0.10 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.55 -0.01 -0.05 2.61 -1.32 -0.59 -4.70 115.64 109.02 3miq s THR 110 Ca 0.00 0.04 -0.21 0.00 -1.21 0.00 0.00 61.69 60.31 3miq s THR 110 Cb 0.00 -0.23 -0.05 0.00 -1.51 0.00 0.00 72.50 70.72 3miq s THR 110 CO 0.00 0.02 0.60 -1.58 -2.21 0.00 0.00 174.62 171.44 3miq s GLN 111 N 0.32 4.36 -0.17 7.08 2.00 -1.26 -0.21 119.66 131.78 3miq s GLN 111 Ca -0.02 0.71 0.01 0.00 -2.00 0.00 0.00 55.36 54.06 3miq s GLN 111 Cb -0.03 -3.40 0.03 0.00 0.80 0.00 0.00 33.01 30.41 3miq s GLN 111 CO -0.01 0.22 -0.15 0.08 -0.50 0.00 0.00 175.29 174.94 3miq s VAL 112 N 0.31 1.69 -0.17 1.34 1.01 -0.29 -1.54 120.40 122.75 3miq s VAL 112 Ca 0.32 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 3miq s VAL 112 Cb -0.17 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3miq s VAL 112 CO 0.16 0.41 -0.15 -0.89 0.00 0.00 0.00 175.10 174.63 3miq s THR 113 N 1.43 2.62 -0.39 3.92 2.01 -0.83 -1.40 115.64 123.00 3miq s THR 113 Ca 0.04 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 3miq s THR 113 Cb -0.14 -2.11 0.10 0.00 0.01 0.00 0.00 72.50 70.36 3miq s THR 113 CO -0.11 0.51 0.16 -0.69 -0.69 0.00 0.00 174.62 173.81 3miq s VAL 114 N 0.97 3.12 -0.01 3.82 1.01 -1.26 -0.37 120.40 127.68 3miq s VAL 114 Ca -0.02 -2.03 -0.27 0.00 0.00 0.00 0.00 61.98 59.65 3miq s VAL 114 Cb -0.15 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.17 3miq s VAL 114 CO -0.03 -0.62 0.61 -0.94 0.00 0.00 0.00 175.10 174.12 3miq s SER 115 N 1.64 -0.57 0.00 3.32 1.04 -0.97 -4.36 113.70 113.80 3miq s SER 115 Ca 0.07 0.50 0.12 0.00 0.48 0.00 0.00 55.95 57.13 3miq s SER 115 Cb -0.22 0.52 0.74 0.00 0.10 0.00 0.00 66.02 67.16 3miq s SER 115 CO -0.04 -0.65 1.17 -1.54 0.98 0.00 0.00 173.24 173.16