#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcq s ILE 8 N 0.00 4.30 -0.49 -0.08 -1.09 -1.26 -5.02 121.20 117.56 3mcq s ILE 8 Ca 0.00 1.93 -0.20 0.00 -2.23 0.00 0.00 60.65 60.14 3mcq s ILE 8 Cb 0.00 -4.23 0.05 0.00 -1.58 0.00 0.00 42.46 36.69 3mcq s ILE 8 CO 0.00 0.30 0.68 -1.10 -1.23 0.00 0.00 174.94 173.59 3mcq s GLN 9 N -0.09 3.20 0.43 2.79 -1.52 -1.26 -5.06 119.66 118.15 3mcq s GLN 9 Ca 0.48 -0.64 0.04 0.00 -1.95 0.00 0.00 55.36 53.29 3mcq s GLN 9 Cb -0.25 -4.05 0.01 0.00 -0.22 0.00 0.00 33.01 28.50 3mcq s GLN 9 CO 0.31 -1.20 0.61 1.03 -0.25 0.00 0.00 175.29 175.79 3mcq s ARG 10 N 2.89 2.91 0.44 2.91 0.52 -1.26 -5.02 118.95 122.34 3mcq s ARG 10 Ca 0.20 -0.89 0.13 0.00 -0.52 0.00 0.00 55.73 54.65 3mcq s ARG 10 Cb -0.17 -2.67 0.98 0.00 0.52 0.00 0.00 34.95 33.61 3mcq s ARG 10 CO 0.15 -0.27 1.99 1.88 0.02 0.00 0.00 175.30 179.07 3mcq h TYR 11 N 0.53 0.06 -3.96 -0.53 0.05 -2.08 -3.43 116.97 107.61 3mcq h TYR 11 Ca -0.44 -0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.03 3mcq h TYR 11 Cb 1.27 -0.02 -0.22 0.00 1.01 0.00 0.00 36.73 38.77 3mcq h TYR 11 CO 0.41 0.21 -0.75 -0.06 -1.05 0.00 0.00 178.16 176.92 3mcq s PHE 12 N -4.71 0.75 0.01 4.88 0.40 -1.26 -5.14 117.98 112.90 3mcq s PHE 12 Ca -0.04 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 55.77 3mcq s PHE 12 Cb 0.16 -0.45 -0.05 0.00 0.51 0.00 0.00 43.02 43.19 3mcq s PHE 12 CO 0.70 -0.05 0.31 1.03 0.70 0.00 0.00 175.22 177.92 3mcq s ARG 13 N -1.37 3.67 0.09 0.44 0.52 -1.26 -5.11 118.95 115.93 3mcq s ARG 13 Ca -0.07 0.07 0.07 0.00 -0.52 0.00 0.00 55.73 55.29 3mcq s ARG 13 Cb -0.09 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 3mcq s ARG 13 CO 0.01 0.65 -0.12 0.50 0.02 0.00 0.00 175.30 176.35 3mcq s ARG 14 N -1.60 2.10 0.38 3.54 3.52 -1.26 -5.01 118.95 120.61 3mcq s ARG 14 Ca 0.27 -1.02 -0.26 0.00 -0.13 0.00 0.00 55.73 54.59 3mcq s ARG 14 Cb -0.14 -2.28 -0.09 0.00 -1.56 0.00 0.00 34.95 30.89 3mcq s ARG 14 CO 0.15 0.51 1.13 0.00 -0.81 0.00 0.00 175.30 176.28 3mcq s ALA 15 N -1.16 3.19 0.19 6.12 0.00 -1.26 -4.76 121.76 124.08 3mcq s ALA 15 Ca 0.20 0.90 0.08 0.00 0.00 0.00 0.00 51.96 53.14 3mcq s ALA 15 Cb -0.11 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3mcq s ALA 15 CO 0.12 -0.39 -0.16 -1.01 0.00 0.00 0.00 175.76 174.31 3mcq s HIS 16 N -1.42 1.76 0.24 0.00 3.76 -0.25 -4.81 115.29 114.56 3mcq s HIS 16 Ca 0.55 -0.52 -0.31 0.00 -0.15 0.00 0.00 55.06 54.62 3mcq s HIS 16 Cb -0.29 -0.84 -0.13 0.00 1.11 0.00 0.00 32.58 32.43 3mcq s HIS 16 CO 0.37 0.36 1.39 -2.30 -0.85 0.00 0.00 174.74 173.70 3mcq n PRO 17 N -0.11 1.99 -3.78 8.40 -0.02 -1.26 -0.90 135.00 139.32 3mcq n PRO 17 Ca -0.10 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 3mcq n PRO 17 Cb 0.59 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 3mcq n PRO 17 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mcq s SER 18 N 0.25 5.78 0.41 2.55 0.15 -0.89 -4.80 113.70 117.16 3mcq s SER 18 Ca 0.68 0.04 0.10 0.00 0.70 0.00 0.00 55.95 57.47 3mcq s SER 18 Cb -0.66 -2.03 0.88 0.00 -1.71 0.00 0.00 66.02 62.50 3mcq s SER 18 CO 0.50 0.07 1.99 0.00 1.20 0.00 0.00 173.24 177.00 3mcq h ALA 19 N 7.45 1.63 -0.35 5.45 0.00 -1.92 -0.94 119.26 130.58 3mcq h ALA 19 Ca -0.37 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 3mcq h ALA 19 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3mcq h ALA 19 CO 0.65 0.27 -0.37 0.28 0.00 0.00 0.00 179.25 180.08 3mcq h VAL 20 N 0.27 1.28 0.00 0.00 2.07 -1.97 -2.86 116.25 115.04 3mcq h VAL 20 Ca 0.06 -1.54 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 3mcq h VAL 20 Cb 0.21 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3mcq h VAL 20 CO 0.01 0.51 -0.31 -0.07 0.02 0.00 0.00 177.57 177.72 3mcq h LEU 21 N 0.69 0.00 2.21 2.57 3.38 -1.82 -3.48 115.31 118.86 3mcq h LEU 21 Ca 0.06 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.61 3mcq h LEU 21 Cb 0.94 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 3mcq h LEU 21 CO 0.09 0.31 -0.47 0.61 0.09 0.00 0.00 178.44 179.07 3mcq n GLY 22 N 0.66 0.45 3.69 0.83 0.00 -0.38 -4.96 105.19 105.48 3mcq n GLY 22 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3mcq n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mcq s VAL 23 N -2.92 4.62 0.53 1.61 1.01 -1.26 -5.03 120.40 118.96 3mcq s VAL 23 Ca 0.00 1.90 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 3mcq s VAL 23 Cb 0.00 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3mcq s VAL 23 CO 0.00 0.01 1.17 -0.83 0.00 0.00 0.00 175.10 175.46 3mcq s GLY 24 N 1.19 2.72 0.43 4.51 0.00 -1.26 -4.92 107.32 109.99 3mcq s GLY 24 Ca 0.51 0.93 0.11 0.00 0.00 0.00 0.00 44.72 46.27 3mcq s GLY 24 CO 0.20 1.33 2.00 1.29 0.00 0.00 0.00 173.10 177.92 3mcq h ASP 25 N 1.41 0.17 0.76 1.64 2.03 -1.96 -2.15 116.42 118.32 3mcq h ASP 25 Ca -0.50 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 3mcq h ASP 25 Cb 1.27 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3mcq h ASP 25 CO 0.58 0.26 0.00 -2.24 -1.03 0.00 0.00 179.24 176.80 3mcq h ASP 26 N 0.18 0.00 0.48 4.15 2.03 -1.97 -3.11 116.42 118.19 3mcq h ASP 26 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3mcq h ASP 26 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 3mcq h ASP 26 CO 0.01 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.22 3mcq h ALA 27 N 2.11 1.00 0.00 4.15 0.00 -1.69 -2.90 119.26 121.93 3mcq h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mcq h ALA 27 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3mcq h ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3mcq n ALA 28 N -2.00 1.29 -2.76 0.00 0.00 -1.18 -4.58 120.51 111.30 3mcq n ALA 28 Ca -0.01 0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 3mcq n ALA 28 Cb 0.18 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 3mcq n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mcq s LEU 29 N -3.78 4.01 0.20 0.00 2.01 -1.10 -5.10 118.68 114.92 3mcq s LEU 29 Ca 0.02 0.12 0.08 0.00 0.01 0.00 0.00 54.13 54.35 3mcq s LEU 29 Cb 0.06 -2.04 -0.05 0.00 0.01 0.00 0.00 46.19 44.17 3mcq s LEU 29 CO 0.20 0.13 -0.15 0.27 1.01 0.00 0.00 176.35 177.81 3mcq s ILE 30 N 0.65 1.74 -0.32 -0.59 -4.36 -1.26 -5.10 121.20 111.96 3mcq s ILE 30 Ca 0.06 -2.17 0.03 0.00 -0.26 0.00 0.00 60.65 58.31 3mcq s ILE 30 Cb -0.12 -2.01 0.09 0.00 1.25 0.00 0.00 42.46 41.67 3mcq s ILE 30 CO 0.01 -0.56 0.01 -1.58 0.24 0.00 0.00 174.94 173.07 3mcq s GLN 31 N -3.52 1.74 0.42 0.37 2.00 -1.26 -5.11 119.66 114.30 3mcq s GLN 31 Ca 0.21 -1.72 -0.26 0.00 -2.00 0.00 0.00 55.36 51.60 3mcq s GLN 31 Cb -0.01 -3.15 -0.08 0.00 0.80 0.00 0.00 33.01 30.57 3mcq s GLN 31 CO 0.07 -0.84 1.30 -2.14 -0.50 0.00 0.00 175.29 173.17 3mcq s PRO 32 N 0.98 3.91 0.22 1.67 0.02 -1.26 -4.95 135.00 135.59 3mcq s PRO 32 Ca 0.05 2.13 -0.32 0.00 0.02 0.00 0.00 61.00 62.88 3mcq s PRO 32 Cb -0.20 -2.71 -0.12 0.00 0.02 0.00 0.00 34.50 31.49 3mcq s PRO 32 CO -0.07 -0.53 1.64 0.43 -0.33 0.00 0.00 177.00 178.14 3mcq n SER 33 N 0.03 3.67 -4.75 2.53 7.64 -1.26 -4.92 113.62 116.56 3mcq n SER 33 Ca 0.04 1.09 -0.40 0.00 1.01 0.00 0.00 58.87 60.61 3mcq n SER 33 Cb 0.44 -1.53 0.01 0.00 -1.01 0.00 0.00 64.21 62.12 3mcq n SER 33 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3mcq n PRO 34 N 3.32 2.25 -1.27 1.43 -0.02 -1.26 -4.85 135.00 134.60 3mcq n PRO 34 Ca 0.14 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3mcq n PRO 34 Cb 0.34 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3mcq n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mcq n GLY 35 N 0.61 0.47 3.35 -1.23 0.00 -1.26 -5.18 105.19 101.95 3mcq n GLY 35 Ca 0.05 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 3mcq n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mcq s GLU 37 N -2.16 1.33 -0.12 1.61 2.02 0.01 -4.35 118.70 117.04 3mcq s GLU 37 Ca 0.00 -1.53 -0.03 0.00 0.02 0.00 0.00 54.97 53.43 3mcq s GLU 37 Cb 0.00 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.94 3mcq s GLU 37 CO 0.00 0.23 -0.00 -0.51 0.02 0.00 0.00 175.26 175.00 3mcq s LEU 38 N -3.07 3.51 -0.18 1.80 1.02 -1.26 -1.33 118.68 119.17 3mcq s LEU 38 Ca 0.20 0.06 -0.08 0.00 0.02 0.00 0.00 54.13 54.33 3mcq s LEU 38 Cb -0.03 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 3mcq s LEU 38 CO 0.07 0.29 0.09 0.00 0.02 0.00 0.00 176.35 176.83 3mcq s ALA 39 N -0.35 3.56 -0.06 4.21 0.00 0.31 -4.95 121.76 124.49 3mcq s ALA 39 Ca 0.07 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3mcq s ALA 39 Cb -0.12 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.01 3mcq s ALA 39 CO 0.02 0.25 -0.14 0.08 0.00 0.00 0.00 175.76 175.97 3mcq s VAL 40 N 0.13 1.23 -0.03 0.00 1.01 -1.26 -0.96 120.40 120.52 3mcq s VAL 40 Ca 0.07 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3mcq s VAL 40 Cb -0.12 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3mcq s VAL 40 CO -0.00 0.37 -0.03 -0.55 0.00 0.00 0.00 175.10 174.89 3mcq s SER 41 N 0.45 0.62 0.11 3.32 0.15 -0.52 -5.02 113.70 112.82 3mcq s SER 41 Ca -0.11 -0.08 0.10 0.00 0.70 0.00 0.00 55.95 56.56 3mcq s SER 41 Cb -0.14 -0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 3mcq s SER 41 CO 0.03 -0.04 -0.22 0.00 1.20 0.00 0.00 173.24 174.21 3mcq s ALA 42 N 0.70 2.55 0.00 5.45 0.00 -1.26 -0.61 121.76 128.59 3mcq s ALA 42 Ca -0.08 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.50 3mcq s ALA 42 Cb -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.46 3mcq s ALA 42 CO -0.01 0.57 0.00 -3.47 0.00 0.00 0.00 175.76 172.85 3mcq n ASP 43 N 0.92 0.00 -3.55 0.00 2.03 0.30 -4.99 116.55 111.26 3mcq n ASP 43 Ca -0.17 -0.19 -0.01 0.00 0.52 0.00 0.00 54.79 54.94 3mcq n ASP 43 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 3mcq n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mcq s LEU 45 N 0.00 -0.61 -0.15 -2.67 1.43 0.36 -2.55 118.68 114.48 3mcq s LEU 45 Ca 0.00 0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 53.98 3mcq s LEU 45 Cb 0.00 1.79 -0.02 0.00 0.03 0.00 0.00 46.19 47.99 3mcq s LEU 45 CO 0.00 -0.14 -0.06 -0.69 0.23 0.00 0.00 176.35 175.70 3mcq s VAL 46 N 1.89 3.70 0.27 -1.59 1.01 -1.26 -0.75 120.40 123.66 3mcq s VAL 46 Ca -0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3mcq s VAL 46 Cb -0.05 -2.61 -0.11 0.00 0.00 0.00 0.00 36.38 33.61 3mcq s VAL 46 CO -0.16 0.50 1.56 0.00 0.00 0.00 0.00 175.10 176.99 3mcq s ALA 47 N 0.37 3.73 -0.44 5.51 0.00 -0.70 -4.95 121.76 125.27 3mcq s ALA 47 Ca -0.06 1.50 -0.23 0.00 0.00 0.00 0.00 51.96 53.17 3mcq s ALA 47 Cb -0.15 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.37 3mcq s ALA 47 CO 0.04 -0.91 0.77 1.21 0.00 0.00 0.00 175.76 176.87 3mcq s ASN 48 N 0.53 6.41 0.60 0.00 2.47 -1.26 -4.93 114.94 118.75 3mcq s ASN 48 Ca 0.63 -0.12 0.36 0.00 0.42 0.00 0.00 52.86 54.16 3mcq s ASN 48 Cb -0.46 -2.38 1.87 0.00 -1.45 0.00 0.00 41.25 38.83 3mcq s ASN 48 CO 0.45 -0.89 2.19 0.71 -3.72 0.00 0.00 177.10 175.84 3mcq h THR 49 N 5.96 0.20 -0.00 -5.21 1.35 -1.99 -1.20 112.91 112.02 3mcq h THR 49 Ca -0.25 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3mcq h THR 49 Cb 1.09 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3mcq h THR 49 CO 0.95 0.03 -0.14 1.41 -0.25 0.00 0.00 175.52 177.53 3mcq n HIS 50 N -3.30 0.00 -2.84 4.73 8.25 -1.26 -4.37 115.22 116.43 3mcq n HIS 50 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 3mcq n HIS 50 Cb 0.17 -0.39 0.02 0.00 1.12 0.00 0.00 29.99 30.91 3mcq n HIS 50 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3mcq n PHE 51 N -1.44 -2.88 -2.41 4.41 7.35 -0.52 -5.15 117.46 116.82 3mcq n PHE 51 Ca 0.08 -2.03 -0.41 0.00 -0.76 0.00 0.00 57.45 54.33 3mcq n PHE 51 Cb 0.33 1.21 -0.04 0.00 0.35 0.00 0.00 39.48 41.33 3mcq n PHE 51 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 3mcq s TYR 52 N 0.41 3.48 -0.95 -5.13 5.04 -0.81 -4.54 117.35 114.85 3mcq s TYR 52 Ca 0.32 1.57 -0.15 0.00 -2.44 0.00 0.00 57.07 56.37 3mcq s TYR 52 Cb 0.18 -3.37 -0.09 0.00 0.35 0.00 0.00 41.96 39.03 3mcq s TYR 52 CO -0.20 -0.89 2.08 -0.35 -1.34 0.00 0.00 175.55 174.86 3mcq n PRO 53 N 1.70 1.98 -2.03 4.97 -0.04 -1.26 -4.74 135.00 135.58 3mcq n PRO 53 Ca 0.01 -1.84 -0.42 0.00 -0.04 0.00 0.00 63.50 61.21 3mcq n PRO 53 Cb 0.45 -2.82 -0.00 0.00 -0.04 0.00 0.00 33.50 31.09 3mcq n PRO 53 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3mcq n ASN 54 N 6.07 5.37 -3.73 3.54 3.02 -1.26 -4.86 115.26 123.41 3mcq n ASN 54 Ca 0.50 -2.99 -0.17 0.00 -0.03 0.00 0.00 54.58 51.89 3mcq n ASN 54 Cb 0.31 -1.52 -0.09 0.00 -0.61 0.00 0.00 39.78 37.87 3mcq n ASN 54 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3mcq s ILE 55 N 1.16 0.05 -0.11 2.41 -4.36 -1.26 -5.10 121.20 114.00 3mcq s ILE 55 Ca 0.46 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.53 3mcq s ILE 55 Cb 0.13 -2.50 -0.09 0.00 1.25 0.00 0.00 42.46 41.25 3mcq s ILE 55 CO -0.04 0.00 2.03 -0.67 0.24 0.00 0.00 174.94 176.50 3mcq n ASP 56 N -1.04 3.51 0.28 4.36 -0.08 -1.26 -4.87 116.55 117.45 3mcq n ASP 56 Ca 0.05 0.71 0.14 0.00 -1.51 0.00 0.00 54.79 54.17 3mcq n ASP 56 Cb 0.64 -1.46 0.79 0.00 2.34 0.00 0.00 41.12 43.44 3mcq n ASP 56 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3mcq h PRO 57 N 11.42 0.00 -0.54 -0.67 0.11 -1.90 -1.43 132.00 138.99 3mcq h PRO 57 Ca -0.45 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.76 3mcq h PRO 57 Cb 1.26 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 3mcq h PRO 57 CO 0.96 0.08 0.09 2.35 -0.21 0.00 0.00 178.00 181.27 3mcq h TRP 58 N 0.00 0.13 -0.29 0.65 7.01 -1.87 -0.00 115.95 121.59 3mcq h TRP 58 Ca -0.00 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.94 3mcq h TRP 58 Cb 0.25 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 3mcq h TRP 58 CO 0.00 -0.04 -0.20 -0.07 -2.79 0.00 0.00 178.44 175.34 3mcq h LEU 59 N 0.22 0.52 -0.35 0.65 3.38 -1.58 -0.80 115.31 117.34 3mcq h LEU 59 Ca 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3mcq h LEU 59 Cb 0.40 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3mcq h LEU 59 CO -0.38 0.73 0.16 0.40 0.09 0.00 0.00 178.44 179.45 3mcq h ILE 60 N 0.47 1.17 -0.37 1.22 2.04 -1.18 -1.12 117.51 119.74 3mcq h ILE 60 Ca 0.08 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3mcq h ILE 60 Cb 0.62 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3mcq h ILE 60 CO 0.04 0.18 0.12 1.23 0.00 0.00 0.00 178.15 179.72 3mcq h GLY 61 N 0.43 0.62 1.00 5.37 0.00 -0.76 -0.90 103.07 108.83 3mcq h GLY 61 Ca 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3mcq h GLY 61 CO -0.01 0.34 -0.15 -0.25 0.00 0.00 0.00 176.54 176.47 3mcq h TRP 62 N 0.45 -0.39 -0.01 5.60 7.01 -1.05 -2.98 115.95 124.59 3mcq h TRP 62 Ca 0.12 -0.01 -0.14 0.00 2.11 0.00 0.00 58.89 60.97 3mcq h TRP 62 Cb 0.25 0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 3mcq h TRP 62 CO 0.01 -0.24 -0.64 -0.22 -2.79 0.00 0.00 178.44 174.55 3mcq h LYS 63 N -0.42 0.04 -0.72 2.65 3.64 -1.22 -1.89 116.57 118.65 3mcq h LYS 63 Ca -0.04 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 3mcq h LYS 63 Cb 0.32 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3mcq h LYS 63 CO 0.07 0.67 0.39 0.77 -2.27 0.00 0.00 179.45 179.08 3mcq h SER 64 N 0.03 0.55 -0.05 4.20 0.02 -1.08 -1.67 113.55 115.55 3mcq h SER 64 Ca -0.01 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 3mcq h SER 64 Cb 1.14 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.63 3mcq h SER 64 CO 0.09 0.33 -0.46 0.25 -1.14 0.00 0.00 176.83 175.90 3mcq h LEU 65 N 0.69 0.49 -0.77 5.07 5.85 -1.37 -3.34 115.31 121.92 3mcq h LEU 65 Ca 0.34 -0.69 0.16 0.00 0.84 0.00 0.00 57.88 58.53 3mcq h LEU 65 Cb 0.29 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.07 3mcq h LEU 65 CO -0.23 1.11 0.27 0.00 -0.34 0.00 0.00 178.44 179.25 3mcq h ALA 66 N 0.39 1.07 0.00 1.25 0.00 -0.89 -0.24 119.26 120.84 3mcq h ALA 66 Ca -0.04 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3mcq h ALA 66 Cb 1.14 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3mcq h ALA 66 CO 0.09 -0.28 -0.26 -0.39 0.00 0.00 0.00 179.25 178.41 3mcq h VAL 67 N 0.37 0.78 0.08 0.00 -1.51 -1.45 -0.25 116.25 114.27 3mcq h VAL 67 Ca 0.44 -1.08 -0.25 0.00 -1.23 0.00 0.00 66.70 64.57 3mcq h VAL 67 Cb 0.73 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 3mcq h VAL 67 CO -0.47 0.26 -1.14 0.78 -1.23 0.00 0.00 177.57 175.77 3mcq h ASN 68 N 0.00 0.33 -0.54 4.19 2.35 -1.26 -3.01 115.58 117.63 3mcq h ASN 68 Ca -0.00 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.38 3mcq h ASN 68 Cb 0.65 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 3mcq h ASN 68 CO 0.03 1.24 0.23 0.40 -1.65 0.00 0.00 177.43 177.69 3mcq h ILE 69 N 0.07 1.21 -0.66 2.81 2.04 -0.63 -2.58 117.51 119.77 3mcq h ILE 69 Ca -0.10 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3mcq h ILE 69 Cb 1.86 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 3mcq h ILE 69 CO 0.18 0.26 0.34 -1.28 0.00 0.00 0.00 178.15 177.65 3mcq h SER 70 N 0.83 0.81 0.00 1.72 0.87 -0.99 -1.47 113.55 115.32 3mcq h SER 70 Ca 0.20 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3mcq h SER 70 Cb 0.16 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3mcq h SER 70 CO -0.02 0.67 0.00 0.47 -0.53 0.00 0.00 176.83 177.42 3mcq n ASP 71 N -4.37 0.00 0.00 6.23 8.00 -0.97 -1.31 116.55 124.13 3mcq n ASP 71 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3mcq n ASP 71 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3mcq n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mcq n ALA 73 N 0.83 0.00 0.01 2.24 0.00 -0.56 -4.82 120.51 118.21 3mcq n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mcq n ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3mcq n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mcq n ALA 74 N 0.00 1.52 -2.06 0.00 0.00 -0.43 -4.35 120.51 115.19 3mcq n ALA 74 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3mcq n ALA 74 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 3mcq n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mcq n GLY 76 N 1.07 0.78 3.88 0.00 0.00 -1.26 -4.44 105.19 105.21 3mcq n GLY 76 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3mcq n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcq s ALA 77 N 0.00 3.64 -0.53 4.61 0.00 -1.26 -4.27 121.76 123.95 3mcq s ALA 77 Ca 0.04 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 3mcq s ALA 77 Cb 0.04 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 20.87 3mcq s ALA 77 CO -0.02 0.56 0.93 -1.14 0.00 0.00 0.00 175.76 176.09 3mcq s GLN 78 N -2.78 3.37 0.37 0.00 0.74 0.11 -4.51 119.66 116.96 3mcq s GLN 78 Ca 0.45 -0.19 -0.27 0.00 0.05 0.00 0.00 55.36 55.40 3mcq s GLN 78 Cb -0.11 -4.02 -0.10 0.00 1.10 0.00 0.00 33.01 29.88 3mcq s GLN 78 CO 0.22 -1.42 1.32 -2.14 -0.55 0.00 0.00 175.29 172.73 3mcq s PRO 79 N 3.86 4.13 0.00 1.67 0.02 -1.26 -0.83 135.00 142.59 3mcq s PRO 79 Ca 0.31 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3mcq s PRO 79 Cb -0.12 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.50 3mcq s PRO 79 CO 0.21 -0.38 0.00 0.54 -0.33 0.00 0.00 177.00 177.04 3mcq n ARG 80 N 0.42 0.90 -4.04 5.54 1.74 -1.26 -4.77 116.66 115.19 3mcq n ARG 80 Ca 0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.98 3mcq n ARG 80 Cb 0.42 -0.72 -0.12 0.00 -1.02 0.00 0.00 32.46 31.03 3mcq n ARG 80 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3mcq s TRP 81 N -1.44 0.50 0.06 -1.55 0.51 -1.26 -1.34 118.94 114.41 3mcq s TRP 81 Ca 0.00 -0.45 0.00 0.00 -2.12 0.00 0.00 56.10 53.53 3mcq s TRP 81 Cb 0.00 -0.31 -0.04 0.00 -0.81 0.00 0.00 33.47 32.31 3mcq s TRP 81 CO 0.00 -0.11 -0.04 0.00 -0.51 0.00 0.00 176.95 176.29 3mcq s ALA 82 N -1.23 0.56 0.19 0.98 0.00 0.08 -4.45 121.76 117.89 3mcq s ALA 82 Ca -0.10 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 50.85 3mcq s ALA 82 Cb -0.09 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3mcq s ALA 82 CO -0.00 -0.27 -0.20 0.95 0.00 0.00 0.00 175.76 176.24 3mcq s THR 83 N -3.21 2.06 -0.02 0.00 -4.23 -0.20 -0.37 115.64 109.66 3mcq s THR 83 Ca 0.03 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3mcq s THR 83 Cb 0.03 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.91 3mcq s THR 83 CO -0.06 -0.26 0.02 -0.22 -0.54 0.00 0.00 174.62 173.56 3mcq s LEU 84 N -2.76 1.19 0.01 4.79 2.96 -0.32 -2.21 118.68 122.34 3mcq s LEU 84 Ca 0.19 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3mcq s LEU 84 Cb -0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 46.19 46.53 3mcq s LEU 84 CO 0.08 -0.11 -0.10 0.42 -1.32 0.00 0.00 176.35 175.32 3mcq s THR 85 N 0.95 0.77 -0.07 3.68 -4.23 -0.11 -1.55 115.64 115.08 3mcq s THR 85 Ca -0.08 -0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 3mcq s THR 85 Cb -0.12 -0.68 0.03 0.00 1.34 0.00 0.00 72.50 73.07 3mcq s THR 85 CO -0.03 0.08 0.17 -0.51 -0.54 0.00 0.00 174.62 173.79 3mcq s ILE 86 N -0.50 -0.02 -0.25 2.99 2.07 -0.86 -0.62 121.20 124.01 3mcq s ILE 86 Ca 0.01 0.08 -0.14 0.00 -1.41 0.00 0.00 60.65 59.19 3mcq s ILE 86 Cb -0.05 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 3mcq s ILE 86 CO 0.00 0.03 0.34 0.00 -1.91 0.00 0.00 174.94 173.40 3mcq s ALA 87 N 0.59 3.57 -0.19 1.50 0.00 0.17 -1.17 121.76 126.22 3mcq s ALA 87 Ca -0.04 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 3mcq s ALA 87 Cb -0.06 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 3mcq s ALA 87 CO -0.03 -0.51 0.01 -0.51 0.00 0.00 0.00 175.76 174.72 3mcq s LEU 88 N 1.75 3.36 0.32 0.00 1.43 -0.36 -2.45 118.68 122.72 3mcq s LEU 88 Ca 0.14 -0.14 0.26 0.00 -1.03 0.00 0.00 54.13 53.37 3mcq s LEU 88 Cb -0.15 -1.84 0.90 0.00 0.03 0.00 0.00 46.19 45.12 3mcq s LEU 88 CO 0.09 0.10 1.77 1.55 0.23 0.00 0.00 176.35 180.09 3mcq h PRO 89 N 7.21 0.00 -3.55 1.29 0.13 -1.59 -1.34 132.00 134.15 3mcq h PRO 89 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.72 3mcq h PRO 89 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 3mcq h PRO 89 CO 0.63 0.00 -0.13 -1.83 -0.23 0.00 0.00 178.00 176.44 3mcq s GLU 90 N -3.29 1.24 -0.24 0.86 -1.05 -1.26 -4.73 118.70 110.23 3mcq s GLU 90 Ca 0.06 -0.97 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 3mcq s GLU 90 Cb 0.10 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.22 3mcq s GLU 90 CO 0.53 -0.49 1.58 0.00 0.95 0.00 0.00 175.26 177.82 3mcq s ALA 91 N -3.90 3.26 -0.31 -0.84 0.00 -1.26 -4.93 121.76 113.78 3mcq s ALA 91 Ca 0.11 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.48 3mcq s ALA 91 Cb 0.01 -3.85 0.15 0.00 0.00 0.00 0.00 23.12 19.43 3mcq s ALA 91 CO -0.03 -1.96 0.36 0.34 0.00 0.00 0.00 175.76 174.47 3mcq s ASP 92 N 4.10 1.06 0.18 0.00 -1.08 -1.26 -5.03 116.67 114.64 3mcq s ASP 92 Ca 0.69 -0.79 -0.09 0.00 -0.52 0.00 0.00 52.55 51.84 3mcq s ASP 92 Cb -0.23 0.76 0.07 0.00 -1.46 0.00 0.00 42.92 42.06 3mcq s ASP 92 CO 0.29 -0.35 1.66 -0.08 0.52 0.00 0.00 175.17 177.21 3mcq h GLU 93 N 7.97 1.06 -0.42 4.34 4.57 -2.00 -2.59 114.58 127.51 3mcq h GLU 93 Ca -0.08 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 57.81 3mcq h GLU 93 Cb 1.09 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.54 3mcq h GLU 93 CO 0.28 1.01 0.25 0.22 -1.18 0.00 0.00 179.01 179.59 3mcq h ASP 94 N 0.97 0.41 0.24 1.04 3.58 -1.99 -1.49 116.42 119.18 3mcq h ASP 94 Ca 0.18 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 3mcq h ASP 94 Cb 0.50 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 3mcq h ASP 94 CO 0.02 0.30 -0.16 -0.25 -2.88 0.00 0.00 179.24 176.27 3mcq h TRP 95 N 0.51 -0.42 -0.07 0.28 7.01 -1.90 -1.66 115.95 119.70 3mcq h TRP 95 Ca 0.16 -0.00 -0.13 0.00 2.11 0.00 0.00 58.89 61.04 3mcq h TRP 95 Cb -0.00 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 3mcq h TRP 95 CO -0.07 -0.25 -0.52 0.97 -2.79 0.00 0.00 178.44 175.78 3mcq h ILE 96 N -0.40 1.36 -0.40 2.65 6.09 -1.43 -0.11 117.51 125.28 3mcq h ILE 96 Ca -0.02 -1.80 -0.02 0.00 -1.37 0.00 0.00 64.86 61.66 3mcq h ILE 96 Cb 0.34 1.89 -0.02 0.00 0.47 0.00 0.00 36.82 39.50 3mcq h ILE 96 CO 0.01 0.53 0.18 -1.28 -3.07 0.00 0.00 178.15 174.52 3mcq h SER 97 N 0.15 0.53 -0.11 2.19 0.87 -1.19 0.27 113.55 116.27 3mcq h SER 97 Ca 0.00 -0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 3mcq h SER 97 Cb 0.98 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3mcq h SER 97 CO 0.08 0.53 -0.28 0.11 -0.53 0.00 0.00 176.83 176.73 3mcq h LYS 98 N 0.50 0.39 -0.43 2.24 1.57 -1.08 -1.75 116.57 118.01 3mcq h LYS 98 Ca 0.14 -0.27 0.09 0.00 -1.87 0.00 0.00 60.65 58.74 3mcq h LYS 98 Cb 0.14 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 3mcq h LYS 98 CO -0.01 0.88 -0.19 0.35 -0.57 0.00 0.00 179.45 179.90 3mcq h PHE 99 N -0.04 -0.48 -0.44 -1.35 3.04 -1.01 -2.30 116.94 114.37 3mcq h PHE 99 Ca -0.00 0.05 0.05 0.00 3.98 0.00 0.00 57.97 62.04 3mcq h PHE 99 Cb 0.89 0.28 -0.05 0.00 2.56 0.00 0.00 35.95 39.63 3mcq h PHE 99 CO 0.11 -0.28 0.17 0.00 -2.02 0.00 0.00 178.31 176.30 3mcq h ALA 100 N 1.21 0.53 -0.50 2.41 0.00 -0.83 -0.22 119.26 121.86 3mcq h ALA 100 Ca 0.21 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3mcq h ALA 100 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3mcq h ALA 100 CO -0.50 -0.21 0.21 0.00 0.00 0.00 0.00 179.25 178.76 3mcq h ALA 101 N 1.27 0.63 -0.28 0.00 0.00 -1.03 0.30 119.26 120.15 3mcq h ALA 101 Ca 0.20 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3mcq h ALA 101 Cb 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3mcq h ALA 101 CO -0.19 -0.16 -0.37 0.78 0.00 0.00 0.00 179.25 179.31 3mcq h GLY 102 N 0.42 0.82 0.71 0.00 0.00 -0.97 -0.51 103.07 103.54 3mcq h GLY 102 Ca 0.23 -0.89 0.03 0.00 0.00 0.00 0.00 47.33 46.70 3mcq h GLY 102 CO -0.21 0.80 -0.05 -2.75 0.00 0.00 0.00 176.54 174.33 3mcq h PHE 103 N 0.50 -0.11 -0.23 5.60 3.04 -0.70 -1.70 116.94 123.34 3mcq h PHE 103 Ca 0.03 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 3mcq h PHE 103 Cb 0.96 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 3mcq h PHE 103 CO 0.08 -0.08 -0.13 0.74 -2.02 0.00 0.00 178.31 176.89 3mcq h PHE 104 N -0.03 0.40 -0.18 0.41 0.04 -0.33 -1.08 116.94 116.16 3mcq h PHE 104 Ca 0.07 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3mcq h PHE 104 Cb 0.13 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3mcq h PHE 104 CO -0.18 0.51 0.08 0.00 -0.60 0.00 0.00 178.31 178.11 3mcq h ALA 105 N 1.51 0.23 -0.38 2.45 0.00 -0.86 -0.19 119.26 122.03 3mcq h ALA 105 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mcq h ALA 105 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3mcq h ALA 105 CO 0.03 -0.18 0.23 0.00 0.00 0.00 0.00 179.25 179.32 3mcq h ALA 107 N 1.10 1.08 -0.50 0.00 0.00 -1.03 -2.61 119.26 117.29 3mcq h ALA 107 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3mcq h ALA 107 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3mcq h ALA 107 CO -0.03 0.19 0.12 0.00 0.00 0.00 0.00 179.25 179.54 3mcq h ALA 108 N 1.38 0.66 -0.10 0.00 0.00 -0.75 0.84 119.26 121.29 3mcq h ALA 108 Ca 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mcq h ALA 108 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3mcq h ALA 108 CO -0.18 0.36 0.05 0.37 0.00 0.00 0.00 179.25 179.85 3mcq h GLN 109 N 0.69 0.14 -0.33 0.00 4.15 -0.96 -2.29 115.11 116.51 3mcq h GLN 109 Ca 0.16 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3mcq h GLN 109 Cb 0.33 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3mcq h GLN 109 CO 0.00 0.11 0.00 1.19 -1.93 0.00 0.00 178.83 178.20 3mcq n PHE 110 N -4.50 0.73 -3.73 3.99 3.72 -0.96 -5.00 117.46 111.71 3mcq n PHE 110 Ca -0.01 -0.66 -0.26 0.00 -0.05 0.00 0.00 57.45 56.46 3mcq n PHE 110 Cb 0.10 -0.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.54 3mcq n PHE 110 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3mcq n ASP 111 N 0.13 -5.58 -4.63 4.37 8.00 0.08 -4.89 116.55 114.03 3mcq n ASP 111 Ca 0.17 -0.64 -0.35 0.00 0.71 0.00 0.00 54.79 54.67 3mcq n ASP 111 Cb 0.65 -4.55 -0.10 0.00 -0.02 0.00 0.00 41.12 37.10 3mcq n ASP 111 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mcq s ILE 112 N -3.32 4.85 0.00 0.53 1.01 0.01 -4.73 121.20 119.55 3mcq s ILE 112 Ca 0.60 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 61.06 3mcq s ILE 112 Cb -0.28 -3.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 3mcq s ILE 112 CO 0.77 0.44 0.52 0.00 0.00 0.00 0.00 174.94 176.67 3mcq s ALA 113 N 0.54 3.57 -0.33 9.38 0.00 -0.45 -4.56 121.76 129.91 3mcq s ALA 113 Ca 0.04 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 3mcq s ALA 113 Cb -0.13 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 3mcq s ALA 113 CO 0.01 0.30 0.64 -1.17 0.00 0.00 0.00 175.76 175.54 3mcq s LEU 114 N -0.59 4.20 0.00 0.00 2.96 -1.26 -0.74 118.68 123.25 3mcq s LEU 114 Ca 0.28 0.27 0.13 0.00 -0.22 0.00 0.00 54.13 54.59 3mcq s LEU 114 Cb -0.18 -2.81 0.16 0.00 0.50 0.00 0.00 46.19 43.87 3mcq s LEU 114 CO 0.16 -0.55 1.00 2.30 -1.32 0.00 0.00 176.35 177.94 3mcq n ILE 115 N 5.51 0.20 -3.65 6.68 -5.35 0.50 -4.92 119.36 118.34 3mcq n ILE 115 Ca -0.01 -0.60 -0.13 0.00 -0.27 0.00 0.00 62.75 61.74 3mcq n ILE 115 Cb 0.49 1.12 -0.08 0.00 -1.74 0.00 0.00 39.64 39.43 3mcq n ILE 115 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3mcq s GLY 116 N -1.10 -0.51 -0.28 3.28 0.00 -1.24 -3.78 107.32 103.69 3mcq s GLY 116 Ca 0.18 1.94 -0.00 0.00 0.00 0.00 0.00 44.72 46.84 3mcq s GLY 116 CO 0.17 1.72 0.34 -0.32 0.00 0.00 0.00 173.10 175.02 3mcq s GLY 117 N 0.55 -0.32 0.08 0.20 0.00 -1.25 -1.18 107.32 105.39 3mcq s GLY 117 Ca -0.02 0.07 0.06 0.00 0.00 0.00 0.00 44.72 44.84 3mcq s GLY 117 CO -0.02 2.76 -0.17 0.99 0.00 0.00 0.00 173.10 176.66 3mcq s ASP 118 N 2.45 1.98 0.11 1.64 1.01 -0.60 -2.08 116.67 121.18 3mcq s ASP 118 Ca 0.10 -0.61 0.02 0.00 0.71 0.00 0.00 52.55 52.77 3mcq s ASP 118 Cb -0.14 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.66 3mcq s ASP 118 CO -0.28 -0.01 -0.07 0.42 0.21 0.00 0.00 175.17 175.43 3mcq s THR 119 N -1.16 0.82 0.21 -1.27 -4.23 -0.07 -2.03 115.64 107.89 3mcq s THR 119 Ca 0.01 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3mcq s THR 119 Cb -0.10 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 72.00 3mcq s THR 119 CO 0.03 -0.83 0.23 1.07 -0.54 0.00 0.00 174.62 174.58 3mcq n THR 120 N -0.09 0.00 -4.30 3.99 5.66 -0.32 -1.09 114.28 118.13 3mcq n THR 120 Ca -0.11 -1.30 -0.34 0.00 -3.05 0.00 0.00 64.05 59.24 3mcq n THR 120 Cb 0.61 0.71 -0.12 0.00 -1.55 0.00 0.00 70.33 69.97 3mcq n THR 120 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3mcq s ARG 121 N -2.67 3.66 0.00 1.09 6.06 -1.26 -1.22 118.95 124.60 3mcq s ARG 121 Ca 0.21 -0.52 0.00 0.00 -2.50 0.00 0.00 55.73 52.93 3mcq s ARG 121 Cb 0.00 -2.96 0.00 0.00 0.06 0.00 0.00 34.95 32.05 3mcq s ARG 121 CO 0.15 0.18 0.00 0.41 -2.50 0.00 0.00 175.30 173.54 3mcq n GLY 122 N 3.74 -0.21 3.61 8.12 0.00 -0.51 -4.80 105.19 115.14 3mcq n GLY 122 Ca -0.17 -1.19 -0.46 0.00 0.00 0.00 0.00 46.02 44.19 3mcq n GLY 122 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mcq n PRO 123 N -0.77 1.50 -1.66 1.61 -0.02 -1.26 -1.56 135.00 132.84 3mcq n PRO 123 Ca 0.00 0.53 -0.45 0.00 -2.02 0.00 0.00 63.50 61.56 3mcq n PRO 123 Cb 0.00 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 3mcq n PRO 123 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3mcq n LEU 124 N 1.76 3.70 -3.72 2.45 7.94 -1.25 -4.69 117.00 123.19 3mcq n LEU 124 Ca 0.12 0.85 -0.12 0.00 -1.11 0.00 0.00 56.01 55.75 3mcq n LEU 124 Cb 0.29 -1.45 -0.13 0.00 0.53 0.00 0.00 43.42 42.66 3mcq n LEU 124 CO 0.61 -0.02 -0.10 -0.89 -1.11 0.00 0.00 177.39 175.88 3mcq s THR 125 N 4.75 -0.04 -0.13 1.96 2.01 -1.03 -1.73 115.64 121.43 3mcq s THR 125 Ca 0.93 0.14 0.00 0.00 0.31 0.00 0.00 61.69 63.07 3mcq s THR 125 Cb -0.56 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 71.57 3mcq s THR 125 CO 0.46 0.06 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.69 3mcq s ILE 126 N 1.29 1.43 -0.13 1.82 1.01 0.07 -0.66 121.20 126.02 3mcq s ILE 126 Ca -0.09 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3mcq s ILE 126 Cb -0.10 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3mcq s ILE 126 CO -0.09 0.43 -0.20 -0.44 0.00 0.00 0.00 174.94 174.65 3mcq s SER 127 N 1.48 3.37 -0.06 3.58 0.01 0.21 -0.49 113.70 121.80 3mcq s SER 127 Ca 0.04 -0.52 0.05 0.00 1.31 0.00 0.00 55.95 56.82 3mcq s SER 127 Cb -0.13 -1.49 -0.00 0.00 0.21 0.00 0.00 66.02 64.61 3mcq s SER 127 CO -0.09 0.11 -0.21 -0.69 0.41 0.00 0.00 173.24 172.78 3mcq s VAL 128 N 0.63 1.73 -0.10 3.43 1.01 -1.06 -0.93 120.40 125.11 3mcq s VAL 128 Ca -0.10 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3mcq s VAL 128 Cb -0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3mcq s VAL 128 CO 0.02 0.49 -0.18 -1.58 0.00 0.00 0.00 175.10 173.86 3mcq s GLN 129 N 0.11 3.06 0.35 2.72 0.74 -0.94 -0.54 119.66 125.16 3mcq s GLN 129 Ca -0.08 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.56 3mcq s GLN 129 Cb -0.14 -2.45 -0.00 0.00 1.10 0.00 0.00 33.01 31.52 3mcq s GLN 129 CO 0.04 0.29 0.00 1.51 -0.55 0.00 0.00 175.29 176.59 3mcq n ILE 130 N 3.27 0.00 0.00 -2.34 3.06 0.22 -1.04 119.36 122.53 3mcq n ILE 130 Ca -0.18 -1.69 0.00 0.00 -2.50 0.00 0.00 62.75 58.38 3mcq n ILE 130 Cb 0.53 0.35 0.00 0.00 0.54 0.00 0.00 39.64 41.06 3mcq n ILE 130 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3mcq n GLY 132 N 0.70 0.37 3.54 4.50 0.00 -0.13 -1.44 105.19 112.73 3mcq n GLY 132 Ca -0.14 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3mcq n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mcq s GLU 133 N -2.00 2.76 0.01 1.61 2.02 -0.01 -0.53 118.70 122.56 3mcq s GLU 133 Ca 0.00 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.39 3mcq s GLU 133 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 3mcq s GLU 133 CO 0.00 0.61 -0.00 0.99 0.02 0.00 0.00 175.26 176.88 3mcq s THR 134 N -0.68 0.07 0.63 3.63 2.01 -0.44 -0.71 115.64 120.15 3mcq s THR 134 Ca 0.10 -0.60 -0.18 0.00 0.31 0.00 0.00 61.69 61.32 3mcq s THR 134 Cb -0.11 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 3mcq s THR 134 CO 0.01 -0.33 1.22 -2.84 -0.69 0.00 0.00 174.62 171.99 3mcq s PRO 135 N -0.98 2.71 0.30 4.92 0.02 -1.26 -0.81 135.00 139.90 3mcq s PRO 135 Ca -0.11 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.46 3mcq s PRO 135 Cb -0.07 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 3mcq s PRO 135 CO -0.01 -1.41 1.54 -2.14 -0.33 0.00 0.00 177.00 174.65 3mcq s PRO 136 N -3.49 4.15 0.00 5.54 0.02 -1.26 -1.55 135.00 138.41 3mcq s PRO 136 Ca 0.77 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.31 3mcq s PRO 136 Cb -0.31 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.18 3mcq s PRO 136 CO 0.37 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 3mcq n GLY 137 N 1.83 1.04 1.01 0.52 0.00 -1.26 -4.87 105.19 103.46 3mcq n GLY 137 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3mcq n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcq n ALA 138 N 0.80 2.45 -1.72 4.61 0.00 -0.60 -4.96 120.51 121.09 3mcq n ALA 138 Ca 0.00 -0.85 -0.34 0.00 0.00 0.00 0.00 53.44 52.26 3mcq n ALA 138 Cb 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 3mcq n ALA 138 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3mcq s SER 139 N -1.61 5.91 -0.20 0.00 0.01 -1.26 -4.69 113.70 111.87 3mcq s SER 139 Ca 0.36 1.93 -0.09 0.00 1.31 0.00 0.00 55.95 59.46 3mcq s SER 139 Cb 0.21 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 3mcq s SER 139 CO 0.31 -1.08 0.11 -0.76 0.41 0.00 0.00 173.24 172.23 3mcq s LEU 140 N -4.06 4.04 0.29 2.44 1.43 -1.26 -5.01 118.68 116.55 3mcq s LEU 140 Ca 0.67 0.15 0.11 0.00 -1.03 0.00 0.00 54.13 54.03 3mcq s LEU 140 Cb -0.18 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 3mcq s LEU 140 CO 0.30 0.16 -0.11 -0.76 0.23 0.00 0.00 176.35 176.16 3mcq s LEU 141 N 0.48 2.80 0.15 1.79 1.43 -1.26 -4.66 118.68 119.41 3mcq s LEU 141 Ca 0.06 -0.96 0.26 0.00 -1.03 0.00 0.00 54.13 52.47 3mcq s LEU 141 Cb -0.12 -1.27 0.93 0.00 0.03 0.00 0.00 46.19 45.77 3mcq s LEU 141 CO -0.00 -0.04 1.80 -2.11 0.23 0.00 0.00 176.35 176.23 3mcq n ARG 142 N -0.75 0.18 -0.12 1.70 1.85 -1.22 -1.77 116.66 116.52 3mcq n ARG 142 Ca -0.05 0.18 0.11 0.00 -1.00 0.00 0.00 57.85 57.09 3mcq n ARG 142 Cb 0.61 -1.72 0.27 0.00 -1.05 0.00 0.00 32.46 30.57 3mcq n ARG 142 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3mcq n SER 143 N -2.04 2.67 -0.47 2.89 3.41 -1.26 -4.31 113.62 114.51 3mcq n SER 143 Ca 0.06 -1.87 0.07 0.00 -0.26 0.00 0.00 58.87 56.86 3mcq n SER 143 Cb 0.38 -0.16 0.13 0.00 -0.26 0.00 0.00 64.21 64.31 3mcq n SER 143 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3mcq n THR 144 N 1.00 1.56 -2.40 6.66 -2.24 -1.26 -3.85 114.28 113.75 3mcq n THR 144 Ca 0.18 -2.19 -0.35 0.00 -2.27 0.00 0.00 64.05 59.42 3mcq n THR 144 Cb 0.50 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3mcq n THR 144 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mcq s ALA 145 N -2.33 2.79 0.13 6.98 0.00 -1.26 -4.43 121.76 123.65 3mcq s ALA 145 Ca 0.30 0.73 0.08 0.00 0.00 0.00 0.00 51.96 53.07 3mcq s ALA 145 Cb 0.29 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3mcq s ALA 145 CO -0.03 -0.54 -0.19 1.03 0.00 0.00 0.00 175.76 176.03 3mcq s ARG 146 N -3.22 1.18 0.32 0.00 0.52 -1.26 -4.93 118.95 111.57 3mcq s ARG 146 Ca 0.70 -1.29 -0.29 0.00 -0.52 0.00 0.00 55.73 54.33 3mcq s ARG 146 Cb -0.21 -1.30 -0.11 0.00 0.52 0.00 0.00 34.95 33.85 3mcq s ARG 146 CO 0.24 0.28 1.56 0.00 0.02 0.00 0.00 175.30 177.40 3mcq s ALA 147 N -1.70 3.69 -1.29 2.13 0.00 -1.26 -2.12 121.76 121.20 3mcq s ALA 147 Ca 0.11 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3mcq s ALA 147 Cb -0.07 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3mcq s ALA 147 CO 0.05 -1.02 0.00 -0.25 0.00 0.00 0.00 175.76 174.55 3mcq n ASP 148 N 1.57 -4.65 -4.76 0.00 8.00 0.12 -4.99 116.55 111.84 3mcq n ASP 148 Ca 0.06 0.30 -0.40 0.00 0.71 0.00 0.00 54.79 55.46 3mcq n ASP 148 Cb 0.38 -3.23 -0.03 0.00 -0.02 0.00 0.00 41.12 38.22 3mcq n ASP 148 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3mcq s ASP 149 N -2.77 6.94 0.47 -2.24 1.01 -0.90 -4.28 116.67 114.89 3mcq s ASP 149 Ca 0.00 2.44 -0.24 0.00 0.71 0.00 0.00 52.55 55.47 3mcq s ASP 149 Cb 0.00 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.23 3mcq s ASP 149 CO 0.00 -0.39 1.31 -1.81 0.21 0.00 0.00 175.17 174.49 3mcq s ASP 150 N -0.78 5.90 -0.26 0.27 1.01 0.37 -1.13 116.67 122.05 3mcq s ASP 150 Ca 0.48 2.65 -0.08 0.00 0.71 0.00 0.00 52.55 56.31 3mcq s ASP 150 Cb -0.35 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 40.92 3mcq s ASP 150 CO 0.45 -1.13 0.11 -0.63 0.21 0.00 0.00 175.17 174.17 3mcq s ILE 151 N -1.33 4.62 0.08 0.77 1.01 -0.28 -2.00 121.20 124.07 3mcq s ILE 151 Ca 0.63 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 61.26 3mcq s ILE 151 Cb -0.38 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3mcq s ILE 151 CO 0.47 0.32 0.03 0.26 0.00 0.00 0.00 174.94 176.01 3mcq s TRP 152 N 1.63 3.07 -0.05 3.97 0.52 0.81 0.25 118.94 129.14 3mcq s TRP 152 Ca 0.06 0.02 0.05 0.00 0.02 0.00 0.00 56.10 56.26 3mcq s TRP 152 Cb -0.15 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.59 3mcq s TRP 152 CO 0.06 0.50 -0.21 0.08 0.02 0.00 0.00 176.95 177.39 3mcq s VAL 153 N -1.34 1.74 -1.64 4.03 1.01 -0.75 -1.31 120.40 122.14 3mcq s VAL 153 Ca 0.27 -0.89 0.29 0.00 0.00 0.00 0.00 61.98 61.65 3mcq s VAL 153 Cb -0.12 -1.48 0.51 0.00 0.00 0.00 0.00 36.38 35.28 3mcq s VAL 153 CO 0.20 0.49 1.93 -1.54 0.00 0.00 0.00 175.10 176.18 3mcq n SER 154 N 3.07 0.35 -3.88 3.32 3.41 -0.30 -1.96 113.62 117.63 3mcq n SER 154 Ca -0.18 -0.53 0.04 0.00 -0.26 0.00 0.00 58.87 57.94 3mcq n SER 154 Cb 0.52 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 3mcq n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3mcq s GLY 155 N -2.45 -0.28 0.38 5.00 0.00 -1.23 -3.97 107.32 104.78 3mcq s GLY 155 Ca 0.30 0.35 -0.28 0.00 0.00 0.00 0.00 44.72 45.09 3mcq s GLY 155 CO 0.46 5.03 1.49 -4.14 0.00 0.00 0.00 173.10 175.94 3mcq s PRO 156 N -2.02 4.08 0.04 2.90 0.02 -1.26 -4.64 135.00 134.11 3mcq s PRO 156 Ca 0.28 2.58 0.05 0.00 0.02 0.00 0.00 61.00 63.92 3mcq s PRO 156 Cb 0.02 -2.95 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 3mcq s PRO 156 CO -0.04 -0.56 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.48 3mcq s LEU 157 N -2.14 3.11 0.00 -5.54 1.43 -1.04 -4.75 118.68 109.75 3mcq s LEU 157 Ca 0.53 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3mcq s LEU 157 Cb -0.47 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3mcq s LEU 157 CO 0.63 0.24 0.00 0.61 0.23 0.00 0.00 176.35 178.07 3mcq n GLY 158 N 1.25 2.39 0.12 -3.19 0.00 -1.26 -4.65 105.19 99.85 3mcq n GLY 158 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 3mcq n GLY 158 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mcq h ASP 159 N 0.00 0.27 -0.45 1.61 3.32 -1.90 -0.46 116.42 118.81 3mcq h ASP 159 Ca 0.00 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3mcq h ASP 159 Cb 0.00 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3mcq h ASP 159 CO 0.00 0.25 0.27 0.00 -1.72 0.00 0.00 179.24 178.04 3mcq h ALA 160 N 1.04 0.57 -0.70 3.45 0.00 -1.84 0.19 119.26 121.97 3mcq h ALA 160 Ca 0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3mcq h ALA 160 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3mcq h ALA 160 CO -0.01 0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.52 3mcq h ALA 161 N 1.12 1.04 -0.26 0.00 0.00 -1.61 -0.97 119.26 118.59 3mcq h ALA 161 Ca 0.16 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3mcq h ALA 161 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3mcq h ALA 161 CO -0.03 0.64 -0.13 1.25 0.00 0.00 0.00 179.25 180.98 3mcq h LEU 162 N 1.05 0.57 -0.41 0.00 5.85 -0.48 0.20 115.31 122.09 3mcq h LEU 162 Ca 0.23 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.61 3mcq h LEU 162 Cb 0.30 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3mcq h LEU 162 CO -0.01 0.85 0.03 0.00 -0.34 0.00 0.00 178.44 178.98 3mcq h ALA 163 N 0.73 0.40 -0.29 1.25 0.00 -0.55 -0.90 119.26 119.90 3mcq h ALA 163 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3mcq h ALA 163 Cb 0.64 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3mcq h ALA 163 CO 0.04 -0.37 0.19 1.25 0.00 0.00 0.00 179.25 180.36 3mcq h LEU 164 N 0.15 0.35 -0.85 0.00 5.85 -1.00 -0.49 115.31 119.30 3mcq h LEU 164 Ca 0.20 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.95 3mcq h LEU 164 Cb 0.27 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3mcq h LEU 164 CO -0.31 0.27 0.52 0.00 -0.34 0.00 0.00 178.44 178.59 3mcq h ALA 165 N 1.09 1.18 -0.09 1.25 0.00 -0.72 -1.02 119.26 120.93 3mcq h ALA 165 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3mcq h ALA 165 Cb -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3mcq h ALA 165 CO -0.02 0.26 -0.00 0.00 0.00 0.00 0.00 179.25 179.48 3mcq h ALA 166 N 1.41 0.12 -0.78 0.00 0.00 -0.83 0.23 119.26 119.42 3mcq h ALA 166 Ca 0.38 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.24 3mcq h ALA 166 Cb 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3mcq h ALA 166 CO -0.18 -0.19 0.51 0.82 0.00 0.00 0.00 179.25 180.21 3mcq h ILE 167 N -0.12 0.85 -0.27 0.00 2.04 -0.84 -1.78 117.51 117.39 3mcq h ILE 167 Ca 0.03 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3mcq h ILE 167 Cb 0.35 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3mcq h ILE 167 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.25 3mcq n GLN 168 N -4.50 1.64 -1.43 2.37 6.02 -0.41 -4.90 117.38 116.17 3mcq n GLN 168 Ca 0.14 -0.97 -0.15 0.00 -0.01 0.00 0.00 57.00 56.01 3mcq n GLN 168 Cb 0.46 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.43 3mcq n GLN 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mcq n GLY 169 N 0.92 1.49 0.09 1.08 0.00 -0.67 -4.90 105.19 103.19 3mcq n GLY 169 Ca 0.09 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3mcq n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcq n ARG 170 N -2.23 0.64 -4.18 1.61 1.74 0.80 -4.90 116.66 110.15 3mcq n ARG 170 Ca -0.15 0.27 -0.17 0.00 -0.77 0.00 0.00 57.85 57.03 3mcq n ARG 170 Cb 0.53 -1.77 -0.15 0.00 -1.02 0.00 0.00 32.46 30.05 3mcq n ARG 170 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3mcq s TYR 171 N -2.59 0.58 -0.19 -1.55 6.14 -1.09 -4.96 117.35 113.69 3mcq s TYR 171 Ca -0.06 -0.12 -0.28 0.00 0.64 0.00 0.00 57.07 57.25 3mcq s TYR 171 Cb 0.08 -0.44 -0.00 0.00 0.42 0.00 0.00 41.96 42.01 3mcq s TYR 171 CO 0.82 -0.07 0.95 -1.25 0.64 0.00 0.00 175.55 176.65 3mcq s PRO 172 N 0.23 4.29 0.14 4.97 0.04 -1.26 -3.93 135.00 139.47 3mcq s PRO 172 Ca -0.03 1.23 0.11 0.00 0.04 0.00 0.00 61.00 62.35 3mcq s PRO 172 Cb -0.07 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 3mcq s PRO 172 CO -0.00 -0.48 -0.26 -0.51 0.04 0.00 0.00 177.00 175.79 3mcq s LEU 173 N 2.68 2.38 0.81 -3.56 1.43 -1.26 -5.07 118.68 116.09 3mcq s LEU 173 Ca 0.42 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3mcq s LEU 173 Cb -0.16 -1.25 0.08 0.00 0.03 0.00 0.00 46.19 44.89 3mcq s LEU 173 CO 0.10 0.17 1.09 -0.94 0.23 0.00 0.00 176.35 177.00 3mcq s SER 174 N -2.17 4.30 0.24 2.29 1.04 -1.26 -4.85 113.70 113.30 3mcq s SER 174 Ca 0.16 1.40 -0.05 0.00 0.48 0.00 0.00 55.95 57.93 3mcq s SER 174 Cb -0.10 -2.13 0.37 0.00 0.10 0.00 0.00 66.02 64.27 3mcq s SER 174 CO 0.07 -2.10 1.82 0.44 0.98 0.00 0.00 173.24 174.45 3mcq h ASP 175 N -1.18 0.69 -0.44 7.02 3.32 -2.01 0.33 116.42 124.16 3mcq h ASP 175 Ca -0.47 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3mcq h ASP 175 Cb 1.27 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3mcq h ASP 175 CO 0.58 0.40 0.12 0.74 -1.72 0.00 0.00 179.24 179.36 3mcq h THR 176 N 0.81 1.23 -0.43 0.35 2.02 -1.99 0.62 112.91 115.51 3mcq h THR 176 Ca 0.39 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3mcq h THR 176 Cb 0.32 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3mcq h THR 176 CO -0.23 0.28 0.15 -0.33 0.37 0.00 0.00 175.52 175.75 3mcq h GLU 177 N 0.57 0.66 -0.76 6.66 5.08 -1.83 -2.65 114.58 122.30 3mcq h GLU 177 Ca 0.14 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3mcq h GLU 177 Cb 0.30 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3mcq h GLU 177 CO -0.00 0.63 0.26 1.25 -1.00 0.00 0.00 179.01 180.15 3mcq h LEU 178 N 0.55 1.09 -1.84 1.33 5.85 -0.78 -1.90 115.31 119.62 3mcq h LEU 178 Ca 0.14 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3mcq h LEU 178 Cb 0.24 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3mcq h LEU 178 CO -0.01 0.99 0.18 0.00 -0.34 0.00 0.00 178.44 179.27 3mcq h ALA 179 N 1.14 1.99 0.12 1.25 0.00 -0.70 -0.30 119.26 122.76 3mcq h ALA 179 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3mcq h ALA 179 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mcq h ALA 179 CO -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 179.25 179.15 3mcq h ALA 180 N 1.85 -0.17 0.00 0.00 0.00 -1.05 -3.35 119.26 116.55 3mcq h ALA 180 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mcq h ALA 180 Cb 0.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mcq h ALA 180 CO -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 178.99 3mcq h GLY 182 N 4.10 0.00 1.03 0.00 0.00 -1.17 -2.46 103.07 104.57 3mcq h GLY 182 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mcq h GLY 182 CO 0.00 0.00 0.58 0.50 0.00 0.00 0.00 176.54 177.62 3mcq h LYS 183 N 0.00 1.29 -0.21 4.80 1.57 -1.68 -1.50 116.57 120.84 3mcq h LYS 183 Ca -0.00 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3mcq h LYS 183 Cb 0.20 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3mcq h LYS 183 CO 0.01 0.89 -0.32 0.00 -0.57 0.00 0.00 179.45 179.46 3mcq h ALA 184 N 1.33 1.06 0.09 3.86 0.00 -1.65 -1.18 119.26 122.77 3mcq h ALA 184 Ca 0.34 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mcq h ALA 184 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3mcq h ALA 184 CO -0.07 0.58 -0.04 1.25 0.00 0.00 0.00 179.25 180.97 3mcq h LEU 185 N 0.37 -0.10 0.09 0.00 5.85 -1.36 -3.28 115.31 116.89 3mcq h LEU 185 Ca 0.05 -0.35 -0.29 0.00 0.84 0.00 0.00 57.88 58.13 3mcq h LEU 185 Cb 0.74 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3mcq h LEU 185 CO 0.06 0.31 -1.44 0.45 -0.34 0.00 0.00 178.44 177.48 3mcq h HIS 186 N -0.52 0.35 -2.20 1.25 3.86 -1.29 -3.40 115.15 113.20 3mcq h HIS 186 Ca -0.01 -0.26 -0.58 0.00 -1.16 0.00 0.00 60.37 58.36 3mcq h HIS 186 Cb 0.44 -0.01 -0.39 0.00 1.06 0.00 0.00 27.41 28.50 3mcq h HIS 186 CO 0.06 1.28 -0.95 1.04 0.86 0.00 0.00 177.93 180.22 3mcq n GLN 187 N -3.41 0.97 -1.91 2.45 6.02 -0.45 -4.58 117.38 116.48 3mcq n GLN 187 Ca -0.13 -3.55 -0.41 0.00 -0.01 0.00 0.00 57.00 52.90 3mcq n GLN 187 Cb 1.03 -1.58 -0.01 0.00 1.02 0.00 0.00 30.24 30.70 3mcq n GLN 187 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3mcq s PRO 188 N -1.13 4.19 -0.42 -1.09 0.04 -1.24 -4.69 135.00 130.67 3mcq s PRO 188 Ca 0.35 2.45 -0.16 0.00 0.04 0.00 0.00 61.00 63.67 3mcq s PRO 188 Cb 0.12 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.67 3mcq s PRO 188 CO -0.12 -0.43 0.38 -0.65 0.04 0.00 0.00 177.00 176.22 3mcq s GLN 189 N -1.78 3.04 0.29 4.56 -1.52 -1.26 -4.93 119.66 118.06 3mcq s GLN 189 Ca 0.53 -0.89 -0.29 0.00 -1.95 0.00 0.00 55.36 52.76 3mcq s GLN 189 Cb -0.44 -3.98 -0.10 0.00 -0.22 0.00 0.00 33.01 28.26 3mcq s GLN 189 CO 0.58 -0.83 1.37 -1.25 -0.25 0.00 0.00 175.29 174.91 3mcq s PRO 190 N 1.94 4.31 -1.31 2.91 0.04 -1.26 -4.90 135.00 136.73 3mcq s PRO 190 Ca 0.09 2.26 -0.06 0.00 0.04 0.00 0.00 61.00 63.33 3mcq s PRO 190 Cb -0.18 -3.09 0.13 0.00 0.04 0.00 0.00 34.50 31.40 3mcq s PRO 190 CO 0.12 -0.31 2.30 0.54 0.04 0.00 0.00 177.00 179.69 3mcq n ARG 191 N 1.56 4.48 -0.07 4.56 5.12 -1.26 -4.73 116.66 126.32 3mcq n ARG 191 Ca 0.03 -3.50 -0.12 0.00 -1.93 0.00 0.00 57.85 52.33 3mcq n ARG 191 Cb 0.41 -2.67 -0.06 0.00 -1.16 0.00 0.00 32.46 28.99 3mcq n ARG 191 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3mcq h VAL 192 N 2.75 1.29 -0.33 1.55 2.07 -1.90 -1.66 116.25 120.02 3mcq h VAL 192 Ca 0.66 -1.03 -0.17 0.00 0.82 0.00 0.00 66.70 66.98 3mcq h VAL 192 Cb 0.35 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3mcq h VAL 192 CO 1.49 0.31 -0.46 0.58 0.02 0.00 0.00 177.57 179.52 3mcq h VAL 193 N 0.10 1.28 -0.24 2.57 2.07 -1.95 -2.52 116.25 117.55 3mcq h VAL 193 Ca 0.05 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 65.99 3mcq h VAL 193 Cb 0.50 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 3mcq h VAL 193 CO 0.02 0.54 -0.09 0.25 0.02 0.00 0.00 177.57 178.31 3mcq h LEU 194 N 0.70 -0.31 -0.48 2.57 5.85 -1.92 -0.52 115.31 121.21 3mcq h LEU 194 Ca 0.04 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3mcq h LEU 194 Cb 1.05 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 3mcq h LEU 194 CO 0.11 -0.12 0.25 1.23 -0.34 0.00 0.00 178.44 179.57 3mcq h GLY 195 N -0.04 0.67 1.02 3.75 0.00 -1.13 0.23 103.07 107.57 3mcq h GLY 195 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3mcq h GLY 195 CO -0.28 0.12 0.44 1.46 0.00 0.00 0.00 176.54 178.28 3mcq h GLN 196 N 0.49 1.16 0.00 4.80 4.20 -1.22 -2.34 115.11 122.20 3mcq h GLN 196 Ca 0.21 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3mcq h GLN 196 Cb 0.10 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3mcq h GLN 196 CO -0.14 0.87 -0.11 0.00 -0.67 0.00 0.00 178.83 178.78 3mcq h ALA 197 N 1.23 1.22 -0.00 3.87 0.00 0.14 -3.03 119.26 122.69 3mcq h ALA 197 Ca 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3mcq h ALA 197 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mcq h ALA 197 CO -0.04 0.13 -0.18 1.28 0.00 0.00 0.00 179.25 180.44 3mcq n LEU 198 N -3.54 0.48 -4.67 0.00 4.77 -0.05 -4.79 117.00 109.20 3mcq n LEU 198 Ca -0.02 0.04 -0.46 0.00 -0.03 0.00 0.00 56.01 55.55 3mcq n LEU 198 Cb 0.24 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3mcq n LEU 198 CO 0.29 0.09 1.19 0.54 -1.33 0.00 0.00 177.39 178.18 3mcq n ARG 199 N -1.08 2.15 0.00 3.23 1.74 -1.15 -0.76 116.66 120.79 3mcq n ARG 199 Ca 0.12 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 3mcq n ARG 199 Cb 0.30 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.20 3mcq n ARG 199 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mcq n GLY 200 N 3.42 2.90 0.36 -0.13 0.00 -1.26 -4.79 105.19 105.68 3mcq n GLY 200 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3mcq n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mcq n LEU 201 N 0.00 1.85 -4.78 0.99 4.77 -0.15 -5.00 117.00 114.68 3mcq n LEU 201 Ca 0.00 0.05 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 3mcq n LEU 201 Cb 0.00 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 3mcq n LEU 201 CO 0.00 0.46 0.49 0.00 -1.33 0.00 0.00 177.39 177.01 3mcq s ALA 202 N -2.23 3.42 -0.00 -1.18 0.00 0.06 -4.36 121.76 117.47 3mcq s ALA 202 Ca -0.16 0.34 0.11 0.00 0.00 0.00 0.00 51.96 52.25 3mcq s ALA 202 Cb 0.05 -2.95 -0.17 0.00 0.00 0.00 0.00 23.12 20.05 3mcq s ALA 202 CO 0.24 0.29 1.05 0.45 0.00 0.00 0.00 175.76 177.78 3mcq h HIS 203 N 4.05 0.00 -2.86 0.00 3.86 -0.30 -3.47 115.15 116.42 3mcq h HIS 203 Ca -0.47 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.68 3mcq h HIS 203 Cb 1.20 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.51 3mcq h HIS 203 CO 0.64 0.88 0.02 -1.54 0.86 0.00 0.00 177.93 178.78 3mcq s SER 204 N -6.36 -0.41 0.01 2.45 1.04 -1.19 -4.30 113.70 104.94 3mcq s SER 204 Ca -0.01 0.11 -0.21 0.00 0.48 0.00 0.00 55.95 56.32 3mcq s SER 204 Cb 0.09 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.74 3mcq s SER 204 CO 0.81 -0.73 0.47 0.00 0.98 0.00 0.00 173.24 174.77 3mcq s ALA 205 N -2.61 -1.20 -0.14 5.32 0.00 -0.73 -1.17 121.76 121.23 3mcq s ALA 205 Ca -0.04 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 3mcq s ALA 205 Cb -0.00 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.40 3mcq s ALA 205 CO -0.03 -0.41 0.57 -1.17 0.00 0.00 0.00 175.76 174.73 3mcq s LEU 206 N -1.68 -0.20 0.52 0.00 2.96 -0.40 -3.42 118.68 116.46 3mcq s LEU 206 Ca -0.08 0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 54.56 3mcq s LEU 206 Cb -0.02 2.05 -0.07 0.00 0.50 0.00 0.00 46.19 48.66 3mcq s LEU 206 CO 0.02 -0.35 1.00 1.51 -1.32 0.00 0.00 176.35 177.20 3mcq s ASP 207 N -0.34 6.51 -0.75 3.68 -4.77 -1.26 -0.79 116.67 118.94 3mcq s ASP 207 Ca -0.05 1.61 -0.15 0.00 -3.30 0.00 0.00 52.55 50.66 3mcq s ASP 207 Cb -0.03 -2.51 0.19 0.00 -1.09 0.00 0.00 42.92 39.48 3mcq s ASP 207 CO 0.04 -0.67 0.71 -0.63 0.70 0.00 0.00 175.17 175.32 3mcq s ILE 208 N -2.59 5.48 -0.22 2.11 1.01 0.14 -4.81 121.20 122.33 3mcq s ILE 208 Ca 0.60 -2.18 0.08 0.00 0.00 0.00 0.00 60.65 59.15 3mcq s ILE 208 Cb -0.11 -4.44 -0.19 0.00 0.01 0.00 0.00 42.46 37.73 3mcq s ILE 208 CO 0.32 -1.00 -0.09 -1.54 0.00 0.00 0.00 174.94 172.62 3mcq n SER 209 N 4.39 1.35 -0.81 3.58 3.41 -1.26 -0.33 113.62 123.95 3mcq n SER 209 Ca 0.06 -0.07 0.07 0.00 -0.26 0.00 0.00 58.87 58.67 3mcq n SER 209 Cb 0.45 0.20 0.20 0.00 -0.26 0.00 0.00 64.21 64.80 3mcq n SER 209 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mcq n ASP 210 N -2.99 3.29 0.00 4.04 8.00 -1.26 -0.05 116.55 127.58 3mcq n ASP 210 Ca -0.38 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 52.96 3mcq n ASP 210 Cb 1.02 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 3mcq n ASP 210 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mcq n GLY 211 N 0.53 2.56 0.13 0.44 0.00 -1.13 -4.52 105.19 103.20 3mcq n GLY 211 Ca 0.15 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 3mcq n GLY 211 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mcq h LEU 212 N 0.00 0.24 -0.63 0.99 5.85 -1.62 -0.54 115.31 119.60 3mcq h LEU 212 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3mcq h LEU 212 Cb 0.00 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3mcq h LEU 212 CO 0.00 0.18 0.37 -0.07 -0.34 0.00 0.00 178.44 178.58 3mcq h LEU 213 N 0.31 0.59 -0.02 2.25 3.38 -1.44 0.22 115.31 120.61 3mcq h LEU 213 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3mcq h LEU 213 Cb 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3mcq h LEU 213 CO -0.05 0.40 -0.01 0.00 0.09 0.00 0.00 178.44 178.87 3mcq h ALA 214 N 1.29 0.02 0.13 1.53 0.00 -1.70 -0.46 119.26 120.07 3mcq h ALA 214 Ca 0.26 -0.25 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 3mcq h ALA 214 Cb 0.08 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mcq h ALA 214 CO -0.13 -0.22 -1.26 -0.44 0.00 0.00 0.00 179.25 177.20 3mcq h ASP 215 N -0.43 0.80 -0.60 0.00 3.32 -0.95 0.14 116.42 118.68 3mcq h ASP 215 Ca 0.00 -0.75 0.03 0.00 0.02 0.00 0.00 57.03 56.33 3mcq h ASP 215 Cb 0.50 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3mcq h ASP 215 CO 0.00 1.57 0.36 0.25 -1.72 0.00 0.00 179.24 179.70 3mcq h LEU 216 N 0.23 0.58 -0.93 1.55 5.85 -0.71 -2.15 115.31 119.74 3mcq h LEU 216 Ca -0.18 0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.71 3mcq h LEU 216 Cb 1.93 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.75 3mcq h LEU 216 CO 0.23 0.40 0.52 1.23 -0.34 0.00 0.00 178.44 180.49 3mcq h GLY 217 N 0.71 1.58 1.22 3.75 0.00 -0.76 0.18 103.07 109.75 3mcq h GLY 217 Ca 0.25 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 3mcq h GLY 217 CO -0.11 -0.04 -0.07 0.45 0.00 0.00 0.00 176.54 176.77 3mcq h HIS 218 N 0.70 1.01 -0.38 5.60 3.86 -0.28 -1.55 115.15 124.12 3mcq h HIS 218 Ca 0.52 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 3mcq h HIS 218 Cb 0.76 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3mcq h HIS 218 CO -0.05 0.94 0.24 0.82 0.86 0.00 0.00 177.93 180.74 3mcq h ILE 219 N 0.84 1.11 -0.53 2.45 2.04 -0.62 -1.54 117.51 121.26 3mcq h ILE 219 Ca 0.14 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 3mcq h ILE 219 Cb 0.59 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3mcq h ILE 219 CO 0.04 0.11 0.18 -0.07 0.00 0.00 0.00 178.15 178.41 3mcq h LEU 220 N 0.50 0.76 -0.36 1.44 3.38 -0.83 0.04 115.31 120.25 3mcq h LEU 220 Ca 0.14 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3mcq h LEU 220 Cb -0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3mcq h LEU 220 CO -0.03 0.75 -0.21 -0.08 0.09 0.00 0.00 178.44 178.96 3mcq h GLU 221 N 0.72 0.78 0.00 1.13 4.57 -1.21 0.02 114.58 120.59 3mcq h GLU 221 Ca 0.17 -0.36 -0.12 0.00 -1.18 0.00 0.00 59.36 57.87 3mcq h GLU 221 Cb 0.25 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 3mcq h GLU 221 CO -0.01 0.98 -0.58 0.45 -1.18 0.00 0.00 179.01 178.67 3mcq h HIS 222 N 0.56 0.00 -0.00 0.92 3.86 -1.20 -3.21 115.15 116.08 3mcq h HIS 222 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3mcq h HIS 222 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 3mcq h HIS 222 CO 0.06 0.58 -0.49 0.43 0.86 0.00 0.00 177.93 179.37 3mcq n SER 223 N -3.44 0.59 -3.45 2.45 7.64 -0.01 -4.68 113.62 112.72 3mcq n SER 223 Ca 0.00 -0.37 -0.24 0.00 1.01 0.00 0.00 58.87 59.27 3mcq n SER 223 Cb 0.69 0.27 0.05 0.00 -1.01 0.00 0.00 64.21 64.21 3mcq n SER 223 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mcq n GLN 224 N -1.39 -6.49 -4.45 1.43 6.02 -0.08 -4.83 117.38 107.59 3mcq n GLN 224 Ca 0.06 0.81 -0.23 0.00 -0.01 0.00 0.00 57.00 57.63 3mcq n GLN 224 Cb 0.34 -5.77 -0.09 0.00 1.02 0.00 0.00 30.24 25.74 3mcq n GLN 224 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3mcq s VAL 225 N -3.26 0.72 0.43 5.09 -7.23 -0.78 -4.87 120.40 110.50 3mcq s VAL 225 Ca 0.50 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 3mcq s VAL 225 Cb -0.23 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.19 3mcq s VAL 225 CO 0.62 0.00 0.06 0.61 -0.31 0.00 0.00 175.10 176.08 3mcq n GLY 226 N -0.76 3.52 3.14 2.32 0.00 -0.37 -4.57 105.19 108.46 3mcq n GLY 226 Ca -0.03 -2.33 -0.11 0.00 0.00 0.00 0.00 46.02 43.54 3mcq n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcq s ALA 227 N -2.71 -0.34 -0.16 4.61 0.00 0.59 -0.68 121.76 123.06 3mcq s ALA 227 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3mcq s ALA 227 Cb -0.00 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3mcq s ALA 227 CO 0.03 -0.26 -0.09 -2.00 0.00 0.00 0.00 175.76 173.43 3mcq s GLU 228 N -1.79 1.83 0.12 0.00 2.12 -0.28 -1.27 118.70 119.44 3mcq s GLU 228 Ca -0.11 -0.56 0.07 0.00 0.36 0.00 0.00 54.97 54.72 3mcq s GLU 228 Cb -0.05 -2.06 -0.04 0.00 0.26 0.00 0.00 34.13 32.24 3mcq s GLU 228 CO -0.00 -0.35 -0.16 0.14 -0.54 0.00 0.00 175.26 174.35 3mcq s VAL 229 N 1.55 1.48 -0.24 3.70 -7.23 -0.78 -1.07 120.40 117.80 3mcq s VAL 229 Ca 0.02 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 3mcq s VAL 229 Cb -0.14 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.30 3mcq s VAL 229 CO -0.09 -0.30 -0.10 0.26 -0.31 0.00 0.00 175.10 174.56 3mcq s TRP 230 N -1.81 3.10 0.31 2.82 0.51 -0.67 -0.82 118.94 122.38 3mcq s TRP 230 Ca 0.08 -1.87 0.04 0.00 -2.12 0.00 0.00 56.10 52.23 3mcq s TRP 230 Cb -0.07 -1.99 0.64 0.00 -0.81 0.00 0.00 33.47 31.24 3mcq s TRP 230 CO 0.04 -0.80 1.85 1.25 -0.51 0.00 0.00 176.95 178.77 3mcq h LEU 231 N 7.91 0.85 -1.84 2.99 5.85 -1.39 -1.40 115.31 128.28 3mcq h LEU 231 Ca -0.30 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3mcq h LEU 231 Cb 1.09 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 3mcq h LEU 231 CO 0.54 0.44 -0.05 0.07 -0.34 0.00 0.00 178.44 179.11 3mcq h LYS 232 N 0.90 0.03 0.00 1.25 -0.00 -1.82 -2.57 116.57 114.36 3mcq h LYS 232 Ca 0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.13 3mcq h LYS 232 Cb 0.55 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.78 3mcq h LYS 232 CO -0.25 0.09 0.00 0.00 -0.00 0.00 0.00 179.45 179.29 3mcq h ALA 233 N 1.92 1.00 -2.49 0.07 0.00 -1.57 -3.46 119.26 114.73 3mcq h ALA 233 Ca 0.01 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3mcq h ALA 233 Cb 0.12 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3mcq h ALA 233 CO 0.01 0.00 0.70 0.42 0.00 0.00 0.00 179.25 180.38 3mcq s ILE 234 N -3.21 3.61 0.34 0.00 1.01 -0.97 -4.69 121.20 117.28 3mcq s ILE 234 Ca 0.08 1.13 -0.28 0.00 0.00 0.00 0.00 60.65 61.58 3mcq s ILE 234 Cb 0.10 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.72 3mcq s ILE 234 CO 0.56 0.07 1.23 -2.65 0.00 0.00 0.00 174.94 174.15 3mcq n PRO 235 N 4.24 1.97 -3.86 2.79 -0.02 -1.26 -4.96 135.00 133.90 3mcq n PRO 235 Ca 0.11 0.69 -0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3mcq n PRO 235 Cb 0.44 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 3mcq n PRO 235 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3mcq s LYS 236 N -1.84 0.04 1.05 -0.52 1.02 -1.26 -2.49 119.74 115.75 3mcq s LYS 236 Ca 0.56 0.05 -0.14 0.00 0.02 0.00 0.00 55.97 56.47 3mcq s LYS 236 Cb -0.59 0.01 0.22 0.00 -0.52 0.00 0.00 37.83 36.95 3mcq s LYS 236 CO 0.62 -0.01 1.09 -1.54 -0.92 0.00 0.00 175.35 174.59 3mcq s SER 237 N 0.04 2.14 0.22 2.83 1.04 -1.26 -4.71 113.70 114.00 3mcq s SER 237 Ca -0.00 1.10 -0.08 0.00 0.48 0.00 0.00 55.95 57.44 3mcq s SER 237 Cb -0.01 -1.71 0.19 0.00 0.10 0.00 0.00 66.02 64.59 3mcq s SER 237 CO -0.00 -3.42 1.87 -0.33 0.98 0.00 0.00 173.24 172.34 3mcq h GLU 238 N -2.09 1.14 -0.18 4.02 4.39 -2.01 0.76 114.58 120.61 3mcq h GLU 238 Ca -0.54 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.02 3mcq h GLU 238 Cb 1.33 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 3mcq h GLU 238 CO 0.54 0.79 -0.06 0.28 -1.16 0.00 0.00 179.01 179.41 3mcq h VAL 239 N 1.16 1.29 -0.32 3.13 2.07 -1.95 -2.01 116.25 119.62 3mcq h VAL 239 Ca 0.31 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 3mcq h VAL 239 Cb -0.07 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3mcq h VAL 239 CO -0.06 0.31 -0.06 0.58 0.02 0.00 0.00 177.57 178.37 3mcq h VAL 240 N 0.06 1.27 -0.59 2.57 2.07 -1.91 -2.72 116.25 117.00 3mcq h VAL 240 Ca 0.04 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.54 3mcq h VAL 240 Cb 0.51 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3mcq h VAL 240 CO 0.02 0.35 0.30 -1.28 0.02 0.00 0.00 177.57 176.98 3mcq h SER 241 N 0.39 0.41 -0.51 0.57 0.87 -0.88 -0.95 113.55 113.44 3mcq h SER 241 Ca 0.08 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3mcq h SER 241 Cb 0.54 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 3mcq h SER 241 CO 0.03 0.27 0.34 0.00 -0.53 0.00 0.00 176.83 176.94 3mcq h ALA 242 N 1.33 1.77 -0.61 6.23 0.00 -1.20 -2.37 119.26 124.41 3mcq h ALA 242 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3mcq h ALA 242 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mcq h ALA 242 CO -0.19 0.17 0.00 0.72 0.00 0.00 0.00 179.25 179.95 3mcq n HIS 243 N -4.47 0.89 0.77 0.00 8.25 -0.90 -4.68 115.22 115.08 3mcq n HIS 243 Ca 0.06 -0.52 0.09 0.00 -0.26 0.00 0.00 57.72 57.09 3mcq n HIS 243 Cb 0.15 -0.04 0.43 0.00 1.12 0.00 0.00 29.99 31.66 3mcq n HIS 243 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3mcq n SER 244 N 1.23 0.00 0.24 0.41 3.41 -0.41 -1.75 113.62 116.73 3mcq n SER 244 Ca 0.21 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 3mcq n SER 244 Cb 0.60 -0.37 0.47 0.00 -0.26 0.00 0.00 64.21 64.64 3mcq n SER 244 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mcq h GLN 245 N 0.00 0.00 -6.53 4.33 1.08 -1.83 -3.42 115.11 108.74 3mcq h GLN 245 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 3mcq h GLN 245 Cb 0.23 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 3mcq h GLN 245 CO 0.00 0.13 0.26 -1.21 -0.95 0.00 0.00 178.83 177.07 3mcq s GLU 246 N -3.54 4.65 0.28 1.46 2.02 -0.72 -4.96 118.70 117.89 3mcq s GLU 246 Ca 0.02 1.29 0.01 0.00 0.02 0.00 0.00 54.97 56.32 3mcq s GLU 246 Cb 0.09 -3.33 0.41 0.00 0.10 0.00 0.00 34.13 31.40 3mcq s GLU 246 CO 0.62 0.38 1.74 -0.24 0.02 0.00 0.00 175.26 177.78 3mcq h VAL 247 N 3.70 1.25 -0.70 2.63 3.04 -1.88 -1.53 116.25 122.76 3mcq h VAL 247 Ca -0.45 -1.17 -0.00 0.00 -1.01 0.00 0.00 66.70 64.08 3mcq h VAL 247 Cb 1.21 1.21 -0.03 0.00 -2.01 0.00 0.00 31.29 31.66 3mcq h VAL 247 CO 0.69 0.38 0.43 0.00 -1.01 0.00 0.00 177.57 178.06 3mcq h ALA 248 N 1.31 1.44 -0.18 3.17 0.00 -1.94 -0.68 119.26 122.36 3mcq h ALA 248 Ca 0.08 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 3mcq h ALA 248 Cb 0.59 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3mcq h ALA 248 CO 0.04 0.49 -0.72 0.82 0.00 0.00 0.00 179.25 179.89 3mcq h ILE 249 N 0.96 1.28 -0.67 0.00 1.08 -1.74 -3.18 117.51 115.25 3mcq h ILE 249 Ca 0.25 -1.92 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 3mcq h ILE 249 Cb -0.05 1.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 3mcq h ILE 249 CO -0.05 0.61 0.37 1.56 -0.69 0.00 0.00 178.15 179.96 3mcq h GLN 250 N 0.56 0.92 -1.09 2.37 4.20 -0.66 -1.53 115.11 119.89 3mcq h GLN 250 Ca -0.03 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3mcq h GLN 250 Cb 1.34 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3mcq h GLN 250 CO 0.15 0.67 0.00 1.63 -0.67 0.00 0.00 178.83 180.61 3mcq n LYS 251 N -4.38 0.00 0.00 1.46 5.02 -0.32 -1.90 118.16 118.04 3mcq n LYS 251 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3mcq n LYS 251 Cb 0.09 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3mcq n LYS 251 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3mcq n ILE 253 N 0.77 0.00 0.08 -0.18 5.41 -0.58 -0.77 119.36 124.09 3mcq n ILE 253 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 3mcq n ILE 253 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 38.80 3mcq n ILE 253 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3mcq h LEU 254 N 0.00 0.22 -2.33 1.39 3.38 -1.66 -3.42 115.31 112.90 3mcq h LEU 254 Ca 0.00 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 3mcq h LEU 254 Cb 0.00 -0.07 -0.20 0.00 0.09 0.00 0.00 40.66 40.48 3mcq h LEU 254 CO 0.00 1.18 -0.64 -1.54 0.09 0.00 0.00 178.44 177.53 3mcq n SER 255 N -3.45 0.25 -4.77 -0.43 3.41 0.05 -1.08 113.62 107.59 3mcq n SER 255 Ca -0.04 -1.89 -0.36 0.00 -0.26 0.00 0.00 58.87 56.31 3mcq n SER 255 Cb 0.98 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.79 3mcq n SER 255 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3mcq s GLY 256 N -1.33 2.73 0.77 5.00 0.00 -1.22 -4.57 107.32 108.70 3mcq s GLY 256 Ca 0.15 0.87 -0.11 0.00 0.00 0.00 0.00 44.72 45.63 3mcq s GLY 256 CO -0.07 1.30 1.08 -0.32 0.00 0.00 0.00 173.10 175.09 3mcq s GLY 257 N -1.49 1.64 -0.75 0.20 0.00 -1.26 -2.84 107.32 102.81 3mcq s GLY 257 Ca 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.29 3mcq s GLY 257 CO 0.32 0.31 0.00 1.22 0.00 0.00 0.00 173.10 174.95 3mcq n ASP 258 N -3.36 -3.18 -0.03 1.64 9.92 0.93 -3.74 116.55 118.74 3mcq n ASP 258 Ca 0.07 0.03 -0.13 0.00 -0.53 0.00 0.00 54.79 54.23 3mcq n ASP 258 Cb 0.55 -2.29 -0.10 0.00 -0.64 0.00 0.00 41.12 38.64 3mcq n ASP 258 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3mcq h ASP 259 N 0.00 0.06 -3.30 -2.24 3.32 -1.77 -3.44 116.42 109.05 3mcq h ASP 259 Ca -0.20 -0.58 -0.36 0.00 0.02 0.00 0.00 57.03 55.91 3mcq h ASP 259 Cb 1.04 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 40.60 3mcq h ASP 259 CO 0.24 0.63 -0.50 -1.22 -1.72 0.00 0.00 179.24 176.67 3mcq n TYR 260 N -4.76 -1.31 -2.61 4.55 4.01 0.55 -4.85 117.16 112.75 3mcq n TYR 260 Ca -0.09 0.24 -0.23 0.00 -0.16 0.00 0.00 57.90 57.66 3mcq n TYR 260 Cb 0.32 -3.85 0.03 0.00 -0.31 0.00 0.00 39.34 35.53 3mcq n TYR 260 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3mcq s GLU 261 N -5.24 2.68 -0.04 -0.72 0.41 -1.26 -4.58 118.70 109.95 3mcq s GLU 261 Ca 0.14 -0.48 -0.15 0.00 -0.41 0.00 0.00 54.97 54.07 3mcq s GLU 261 Cb -0.06 -2.41 -0.05 0.00 -1.78 0.00 0.00 34.13 29.83 3mcq s GLU 261 CO 0.17 -0.69 0.41 -0.51 -0.49 0.00 0.00 175.26 174.15 3mcq s LEU 262 N -4.83 4.41 -0.24 1.80 1.43 -1.26 -0.68 118.68 119.30 3mcq s LEU 262 Ca 0.55 0.87 -0.08 0.00 -1.03 0.00 0.00 54.13 54.44 3mcq s LEU 262 Cb -0.10 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 3mcq s LEU 262 CO 0.41 0.23 0.08 0.00 0.23 0.00 0.00 176.35 177.30 3mcq s PHE 264 N 1.38 0.64 0.10 0.00 -0.71 -0.43 -1.28 117.98 117.68 3mcq s PHE 264 Ca 0.05 -1.09 0.07 0.00 -1.04 0.00 0.00 56.93 54.92 3mcq s PHE 264 Cb -0.15 -0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 41.20 3mcq s PHE 264 CO 0.04 -0.39 -0.19 0.95 -1.34 0.00 0.00 175.22 174.29 3mcq s THR 265 N -3.92 1.58 -0.03 -4.49 -4.23 -0.31 -0.13 115.64 104.10 3mcq s THR 265 Ca 0.12 -1.53 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 3mcq s THR 265 Cb 0.08 -1.48 0.09 0.00 1.34 0.00 0.00 72.50 72.52 3mcq s THR 265 CO -0.07 -0.13 0.76 0.00 -0.54 0.00 0.00 174.62 174.64 3mcq s ALA 266 N -1.31 -1.78 0.55 3.99 0.00 -0.85 0.48 121.76 122.84 3mcq s ALA 266 Ca 0.06 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.98 3mcq s ALA 266 Cb -0.09 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3mcq s ALA 266 CO 0.04 -0.47 1.37 0.45 0.00 0.00 0.00 175.76 177.15 3mcq s SER 267 N -1.61 5.21 0.62 0.00 0.15 -1.26 -0.48 113.70 116.33 3mcq s SER 267 Ca -0.05 2.80 0.38 0.00 0.70 0.00 0.00 55.95 59.78 3mcq s SER 267 Cb -0.00 -2.64 2.09 0.00 -1.71 0.00 0.00 66.02 63.76 3mcq s SER 267 CO 0.02 -1.62 2.29 0.71 1.20 0.00 0.00 173.24 175.84 3mcq h THR 268 N 1.42 0.22 -0.95 6.45 1.35 -1.94 -2.44 112.91 117.01 3mcq h THR 268 Ca -0.51 -0.09 0.09 0.00 -0.55 0.00 0.00 66.41 65.35 3mcq h THR 268 Cb 1.30 1.07 -0.07 0.00 -1.73 0.00 0.00 68.15 68.72 3mcq h THR 268 CO 0.57 0.01 0.61 1.56 -0.25 0.00 0.00 175.52 178.02 3mcq h GLN 269 N 0.00 0.97 -0.21 4.72 4.20 -1.95 -2.82 115.11 120.02 3mcq h GLN 269 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3mcq h GLN 269 Cb 0.07 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3mcq h GLN 269 CO 0.00 0.64 0.00 0.72 -0.67 0.00 0.00 178.83 179.53 3mcq n HIS 270 N -4.53 0.27 -0.24 2.96 8.25 -0.92 -4.55 115.22 116.46 3mcq n HIS 270 Ca 0.16 -0.13 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 3mcq n HIS 270 Cb 0.27 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.44 3mcq n HIS 270 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mcq h ARG 271 N 2.04 -0.04 -0.18 -0.41 3.08 -1.62 -1.37 114.38 115.87 3mcq h ARG 271 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3mcq h ARG 271 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3mcq h ARG 271 CO 0.00 -0.03 -0.07 0.37 -1.07 0.00 0.00 179.97 179.17 3mcq h GLN 272 N -0.04 0.37 -0.63 0.04 5.75 -1.85 -0.88 115.11 117.87 3mcq h GLN 272 Ca 0.31 -0.15 0.06 0.00 -0.15 0.00 0.00 58.65 58.72 3mcq h GLN 272 Cb 0.53 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.01 3mcq h GLN 272 CO -0.72 0.66 0.33 1.96 -2.65 0.00 0.00 178.83 178.41 3mcq h GLN 273 N 0.07 0.60 -0.29 1.69 4.20 -1.79 -1.32 115.11 118.26 3mcq h GLN 273 Ca 0.04 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 3mcq h GLN 273 Cb 0.54 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3mcq h GLN 273 CO 0.02 0.40 -0.17 0.82 -0.67 0.00 0.00 178.83 179.23 3mcq h ILE 274 N 0.62 1.30 -0.82 2.54 2.04 -1.13 -1.66 117.51 120.39 3mcq h ILE 274 Ca 0.28 -1.29 0.09 0.00 1.00 0.00 0.00 64.86 64.94 3mcq h ILE 274 Cb 0.20 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 3mcq h ILE 274 CO -0.19 0.41 0.47 0.00 0.00 0.00 0.00 178.15 178.84 3mcq h ALA 275 N 0.74 1.15 -0.64 1.87 0.00 -1.00 -1.69 119.26 119.69 3mcq h ALA 275 Ca 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3mcq h ALA 275 Cb 0.71 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3mcq h ALA 275 CO 0.05 0.11 0.31 -0.44 0.00 0.00 0.00 179.25 179.28 3mcq h ASP 276 N 0.80 0.84 -0.53 0.00 3.32 -0.99 -1.92 116.42 117.95 3mcq h ASP 276 Ca 0.39 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.31 3mcq h ASP 276 Cb 0.33 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3mcq h ASP 276 CO -0.23 0.73 0.35 0.40 -1.72 0.00 0.00 179.24 178.77 3mcq h ILE 277 N 0.88 1.13 -0.61 0.35 2.04 -0.97 -0.07 117.51 120.25 3mcq h ILE 277 Ca 0.22 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3mcq h ILE 277 Cb 0.12 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 3mcq h ILE 277 CO -0.03 0.13 0.30 1.23 0.00 0.00 0.00 178.15 179.78 3mcq h GLY 278 N 0.71 0.89 1.50 5.37 0.00 -0.99 -1.03 103.07 109.51 3mcq h GLY 278 Ca 0.20 -0.20 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 3mcq h GLY 278 CO -0.05 0.09 -0.80 3.21 0.00 0.00 0.00 176.54 178.99 3mcq h ARG 279 N 0.55 0.48 -0.01 4.80 3.08 -1.19 0.11 114.38 122.21 3mcq h ARG 279 Ca 0.29 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3mcq h ARG 279 Cb 0.25 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3mcq h ARG 279 CO -0.22 1.07 -0.07 0.37 -1.07 0.00 0.00 179.97 180.05 3mcq h GLN 280 N 0.31 0.01 -0.37 0.04 5.75 -0.47 -2.03 115.11 118.35 3mcq h GLN 280 Ca -0.05 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3mcq h GLN 280 Cb 1.41 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.95 3mcq h GLN 280 CO 0.14 0.08 0.00 1.28 -2.65 0.00 0.00 178.83 177.69 3mcq n LEU 281 N -4.45 2.94 -2.99 -2.39 4.77 -0.44 -4.97 117.00 109.47 3mcq n LEU 281 Ca -0.03 -1.30 -0.19 0.00 -0.03 0.00 0.00 56.01 54.46 3mcq n LEU 281 Cb 0.15 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3mcq n LEU 281 CO 0.35 0.65 0.19 -1.20 -1.33 0.00 0.00 177.39 176.06 3mcq n SER 282 N 1.14 -5.56 -4.82 -1.43 7.64 -0.76 -5.03 113.62 104.80 3mcq n SER 282 Ca 0.19 -0.43 -0.22 0.00 1.01 0.00 0.00 58.87 59.41 3mcq n SER 282 Cb 0.51 -4.18 -0.04 0.00 -1.01 0.00 0.00 64.21 59.49 3mcq n SER 282 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mcq s LEU 283 N -6.10 3.80 -0.16 -3.43 1.43 0.35 -5.03 118.68 109.54 3mcq s LEU 283 Ca 0.47 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3mcq s LEU 283 Cb -0.21 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 3mcq s LEU 283 CO 0.58 -0.03 -0.10 -0.62 0.23 0.00 0.00 176.35 176.41 3mcq s ASP 284 N -3.79 4.15 0.00 2.29 2.15 -1.25 -4.37 116.67 115.85 3mcq s ASP 284 Ca 0.33 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.97 3mcq s ASP 284 Cb -0.08 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 3mcq s ASP 284 CO 0.25 0.10 0.00 0.00 -0.17 0.00 0.00 175.17 175.35 3mcq n ALA 286 N 3.95 0.00 -2.55 3.66 0.00 -0.83 -3.55 120.51 121.19 3mcq n ALA 286 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 3mcq n ALA 286 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3mcq n ALA 286 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mcq s VAL 287 N -2.00 4.49 -0.91 0.00 1.01 -1.26 -1.81 120.40 119.92 3mcq s VAL 287 Ca 0.00 1.80 0.20 0.00 0.00 0.00 0.00 61.98 63.99 3mcq s VAL 287 Cb 0.00 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 31.99 3mcq s VAL 287 CO 0.00 -0.13 0.85 2.30 0.00 0.00 0.00 175.10 178.11 3mcq n ILE 288 N 5.21 0.00 -2.44 2.22 -5.35 0.14 -4.89 119.36 114.26 3mcq n ILE 288 Ca 0.12 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 3mcq n ILE 288 Cb 0.46 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 3mcq n ILE 288 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mcq n GLY 289 N 1.47 -0.56 2.95 3.28 0.00 -1.20 -1.66 105.19 109.47 3mcq n GLY 289 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 3mcq n GLY 289 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mcq s ARG 290 N -1.04 0.12 0.17 1.61 1.70 -0.23 -1.13 118.95 120.16 3mcq s ARG 290 Ca 0.00 -0.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 3mcq s ARG 290 Cb 0.00 0.05 -0.07 0.00 -0.57 0.00 0.00 34.95 34.36 3mcq s ARG 290 CO 0.00 -0.02 1.03 0.42 -1.08 0.00 0.00 175.30 175.65 3mcq s ILE 291 N -0.20 4.08 0.29 4.99 -1.09 -0.29 -1.12 121.20 127.86 3mcq s ILE 291 Ca -0.02 1.84 0.11 0.00 -2.23 0.00 0.00 60.65 60.34 3mcq s ILE 291 Cb -0.02 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 3mcq s ILE 291 CO 0.00 0.34 -0.16 0.42 -1.23 0.00 0.00 174.94 174.31 3mcq s THR 292 N -0.40 2.29 0.16 2.92 -4.23 0.14 -0.70 115.64 115.82 3mcq s THR 292 Ca 0.47 -2.32 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 3mcq s THR 292 Cb -0.27 -2.36 0.04 0.00 1.34 0.00 0.00 72.50 71.25 3mcq s THR 292 CO 0.33 -0.37 1.65 0.44 -0.54 0.00 0.00 174.62 176.13 3mcq h ASP 293 N 2.24 0.85 -3.01 3.99 3.32 -1.96 -0.98 116.42 120.87 3mcq h ASP 293 Ca -0.40 -0.25 -0.57 0.00 0.02 0.00 0.00 57.03 55.82 3mcq h ASP 293 Cb 1.25 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 3mcq h ASP 293 CO 0.63 0.89 0.82 0.42 -1.72 0.00 0.00 179.24 180.28 3mcq s THR 294 N -5.22 4.44 -0.26 0.35 -4.23 -1.26 -4.52 115.64 104.94 3mcq s THR 294 Ca -0.13 1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 62.09 3mcq s THR 294 Cb 0.12 -4.13 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 3mcq s THR 294 CO 0.81 -0.13 2.93 0.00 -0.54 0.00 0.00 174.62 177.70 3mcq n GLN 295 N 6.23 2.11 -4.06 3.99 10.64 -1.26 -3.60 117.38 131.42 3mcq n GLN 295 Ca 0.13 -1.65 -0.22 0.00 -1.83 0.00 0.00 57.00 53.43 3mcq n GLN 295 Cb 0.46 -1.96 -0.04 0.00 -0.86 0.00 0.00 30.24 27.84 3mcq n GLN 295 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 3mcq s GLN 296 N -0.69 3.10 -0.40 2.61 -1.52 -1.26 -4.67 119.66 116.83 3mcq s GLN 296 Ca 0.55 -0.94 -0.06 0.00 -1.95 0.00 0.00 55.36 52.96 3mcq s GLN 296 Cb 0.32 -2.68 0.09 0.00 -0.22 0.00 0.00 33.01 30.52 3mcq s GLN 296 CO -0.11 0.42 0.21 -1.17 -0.25 0.00 0.00 175.29 174.39 3mcq s LEU 297 N -3.82 5.06 -0.19 2.90 2.96 -1.26 -0.30 118.68 124.03 3mcq s LEU 297 Ca 0.33 -1.70 -0.10 0.00 -0.22 0.00 0.00 54.13 52.44 3mcq s LEU 297 Cb -0.08 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 3mcq s LEU 297 CO 0.26 -0.52 0.15 -0.69 -1.32 0.00 0.00 176.35 174.24 3mcq s VAL 298 N 1.29 5.40 -0.25 1.68 1.01 -0.40 -4.48 120.40 124.65 3mcq s VAL 298 Ca 0.04 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3mcq s VAL 298 Cb -0.23 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.71 3mcq s VAL 298 CO -0.01 0.45 -0.10 -0.63 0.00 0.00 0.00 175.10 174.80 3mcq s ILE 299 N 0.28 2.37 -0.27 2.22 1.01 -0.28 -1.87 121.20 124.66 3mcq s ILE 299 Ca 0.09 -1.39 -0.28 0.00 0.00 0.00 0.00 60.65 59.08 3mcq s ILE 299 Cb -0.11 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3mcq s ILE 299 CO -0.01 0.09 0.99 -1.00 0.00 0.00 0.00 174.94 175.01 3mcq s HIS 300 N 1.19 3.26 0.21 3.97 3.76 -0.00 -2.18 115.29 125.49 3mcq s HIS 300 Ca -0.05 1.25 -0.04 0.00 -0.15 0.00 0.00 55.06 56.07 3mcq s HIS 300 Cb -0.18 -3.36 0.05 0.00 1.11 0.00 0.00 32.58 30.20 3mcq s HIS 300 CO -0.06 -0.57 0.20 0.41 -0.85 0.00 0.00 174.74 173.87 3mcq n GLY 301 N 3.68 -2.25 0.26 -2.22 0.00 -1.03 -1.13 105.19 102.49 3mcq n GLY 301 Ca 0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 3mcq n GLY 301 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mcq h LEU 302 N 0.00 0.49 -0.12 0.99 3.38 -1.95 -0.01 115.31 118.09 3mcq h LEU 302 Ca -0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3mcq h LEU 302 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3mcq h LEU 302 CO 0.05 0.61 0.00 -0.90 0.09 0.00 0.00 178.44 178.29 3mcq n ASP 303 N -4.24 0.10 0.00 -0.43 5.75 -1.26 -4.90 116.55 111.58 3mcq n ASP 303 Ca 0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 3mcq n ASP 303 Cb 0.29 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3mcq n ASP 303 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3mcq n ASP 304 N -0.43 -1.54 -4.70 -1.12 2.03 -0.02 -5.00 116.55 105.76 3mcq n ASP 304 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 3mcq n ASP 304 Cb 0.03 -1.32 -0.03 0.00 -0.72 0.00 0.00 41.12 39.07 3mcq n ASP 304 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mcq s ALA 305 N -2.31 3.22 0.53 -1.67 0.00 -1.26 -4.68 121.76 115.60 3mcq s ALA 305 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 3mcq s ALA 305 Cb 0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 3mcq s ALA 305 CO 0.00 -0.31 0.92 -1.25 0.00 0.00 0.00 175.76 175.12 3mcq s PRO 306 N 1.23 3.67 0.01 0.00 0.04 -1.26 -2.47 135.00 136.22 3mcq s PRO 306 Ca 0.50 0.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.09 3mcq s PRO 306 Cb -0.20 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.12 3mcq s PRO 306 CO 0.25 -0.34 0.10 -1.17 0.04 0.00 0.00 177.00 175.88 3mcq s LEU 307 N -4.68 1.71 0.00 -3.56 2.96 -0.93 -4.96 118.68 109.22 3mcq s LEU 307 Ca 0.53 -0.26 0.24 0.00 -0.22 0.00 0.00 54.13 54.42 3mcq s LEU 307 Cb -0.11 0.54 0.19 0.00 0.50 0.00 0.00 46.19 47.31 3mcq s LEU 307 CO 0.44 -0.35 1.25 0.41 -1.32 0.00 0.00 176.35 176.78