#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcr s ALA 59 N 0.00 2.44 0.22 3.55 0.00 -1.26 -4.97 121.76 121.74 3mcr s ALA 59 Ca 0.00 0.64 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 3mcr s ALA 59 Cb 0.00 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 3mcr s ALA 59 CO 0.00 -1.31 1.57 0.00 0.00 0.00 0.00 175.76 176.02 3mcr s ALA 60 N -2.20 3.76 0.45 0.00 0.00 -1.26 -4.77 121.76 117.74 3mcr s ALA 60 Ca 0.69 1.43 -0.23 0.00 0.00 0.00 0.00 51.96 53.85 3mcr s ALA 60 Cb -0.22 -3.62 -0.08 0.00 0.00 0.00 0.00 23.12 19.20 3mcr s ALA 60 CO 0.40 -0.83 1.13 0.00 0.00 0.00 0.00 175.76 176.46 3mcr s ALA 61 N 0.65 2.98 0.00 0.00 0.00 -0.05 -5.01 121.76 120.34 3mcr s ALA 61 Ca 0.67 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.49 3mcr s ALA 61 Cb -0.45 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 3mcr s ALA 61 CO 0.37 -0.56 0.11 -0.65 0.00 0.00 0.00 175.76 175.04 3mcr s GLN 62 N -2.71 3.17 0.43 0.00 -0.21 -1.26 -4.87 119.66 114.21 3mcr s GLN 62 Ca 0.63 -0.45 -0.25 0.00 0.02 0.00 0.00 55.36 55.31 3mcr s GLN 62 Cb -0.26 -2.92 -0.08 0.00 1.00 0.00 0.00 33.01 30.74 3mcr s GLN 62 CO 0.32 0.65 1.24 1.03 -2.12 0.00 0.00 175.29 176.41 3mcr s ARG 63 N -1.86 3.88 0.25 2.91 1.81 -1.26 -4.01 118.95 120.67 3mcr s ARG 63 Ca 0.25 2.00 -0.30 0.00 -1.72 0.00 0.00 55.73 55.96 3mcr s ARG 63 Cb -0.12 -2.63 -0.09 0.00 -0.45 0.00 0.00 34.95 31.66 3mcr s ARG 63 CO 0.16 -0.52 0.96 -1.25 -0.68 0.00 0.00 175.30 173.97 3mcr s PRO 64 N -2.40 4.83 0.25 3.54 0.04 -1.26 -5.10 135.00 134.90 3mcr s PRO 64 Ca 0.59 1.52 0.12 0.00 0.04 0.00 0.00 61.00 63.27 3mcr s PRO 64 Cb -0.34 -3.25 0.23 0.00 0.04 0.00 0.00 34.50 31.17 3mcr s PRO 64 CO 0.43 0.48 1.52 1.88 0.04 0.00 0.00 177.00 181.35 3mcr h TYR 65 N 4.07 0.00 -3.59 0.56 0.05 -1.93 -3.43 116.97 112.70 3mcr h TYR 65 Ca -0.45 0.00 -0.51 0.00 0.05 0.00 0.00 58.73 57.81 3mcr h TYR 65 Cb 1.20 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.92 3mcr h TYR 65 CO 0.61 0.65 0.34 -1.12 -1.05 0.00 0.00 178.16 177.59 3mcr s SER 66 N -6.66 7.51 -0.14 3.88 0.01 -1.26 -4.85 113.70 112.19 3mcr s SER 66 Ca 0.00 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.07 3mcr s SER 66 Cb 0.11 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.78 3mcr s SER 66 CO 0.76 -0.01 -0.14 -0.62 0.41 0.00 0.00 173.24 173.64 3mcr s ASP 67 N -0.27 2.64 0.29 2.44 -1.08 -1.26 -5.01 116.67 114.42 3mcr s ASP 67 Ca 0.45 -0.47 0.03 0.00 -0.52 0.00 0.00 52.55 52.04 3mcr s ASP 67 Cb -0.24 -1.16 0.67 0.00 -1.46 0.00 0.00 42.92 40.73 3mcr s ASP 67 CO 0.30 -0.05 1.74 -0.65 0.52 0.00 0.00 175.17 177.04 3mcr h PRO 68 N 7.96 0.57 -0.40 4.34 0.11 -1.96 -1.97 132.00 140.64 3mcr h PRO 68 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3mcr h PRO 68 Cb 1.14 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3mcr h PRO 68 CO 0.52 0.38 0.00 -1.13 -0.21 0.00 0.00 178.00 177.56 3mcr n SER 69 N -4.90 1.10 -3.24 -2.05 3.41 -1.26 -4.22 113.62 102.45 3mcr n SER 69 Ca 0.21 -2.06 -0.21 0.00 -0.26 0.00 0.00 58.87 56.55 3mcr n SER 69 Cb 0.56 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 3mcr n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mcr s ASP 70 N -0.70 0.76 0.46 4.04 -1.08 -0.74 -5.01 116.67 114.39 3mcr s ASP 70 Ca 0.09 -2.71 0.31 0.00 -0.52 0.00 0.00 52.55 49.73 3mcr s ASP 70 Cb 0.06 0.14 1.42 0.00 -1.46 0.00 0.00 42.92 43.07 3mcr s ASP 70 CO 0.05 -0.15 1.68 1.55 0.52 0.00 0.00 175.17 178.82 3mcr h PRO 71 N 5.55 0.12 -0.88 4.34 0.13 -1.73 0.19 132.00 139.72 3mcr h PRO 71 Ca 0.21 -0.01 0.26 0.00 -0.87 0.00 0.00 66.00 65.59 3mcr h PRO 71 Cb 0.96 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 3mcr h PRO 71 CO 0.28 0.08 0.74 -0.09 -0.23 0.00 0.00 178.00 178.78 3mcr h ARG 72 N 0.13 0.00 -0.20 0.86 2.43 -1.92 -0.04 114.38 115.64 3mcr h ARG 72 Ca 0.74 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.91 3mcr h ARG 72 Cb 2.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.00 3mcr h ARG 72 CO -0.27 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.44 3mcr n THR 73 N -3.93 0.24 -0.34 0.20 -2.24 0.68 -4.75 114.28 104.14 3mcr n THR 73 Ca 0.18 -0.59 0.09 0.00 -2.27 0.00 0.00 64.05 61.47 3mcr n THR 73 Cb 1.04 1.17 0.21 0.00 -2.10 0.00 0.00 70.33 70.64 3mcr n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mcr h ALA 74 N 4.58 0.89 -0.01 6.98 0.00 -1.12 -1.31 119.26 129.27 3mcr h ALA 74 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3mcr h ALA 74 Cb 0.95 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3mcr h ALA 74 CO 0.00 -0.47 -0.16 2.48 0.00 0.00 0.00 179.25 181.10 3mcr n TYR 75 N -5.53 0.00 -0.23 0.00 0.18 -1.26 -4.56 117.16 105.75 3mcr n TYR 75 Ca 0.19 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.97 3mcr n TYR 75 Cb 0.61 -0.12 0.13 0.00 -0.38 0.00 0.00 39.34 39.57 3mcr n TYR 75 CO 0.00 0.00 0.00 0.74 -2.08 0.00 0.00 176.86 175.52 3mcr h PHE 76 N 1.12 0.59 -0.17 -3.48 0.04 -1.57 -0.65 116.94 112.83 3mcr h PHE 76 Ca 0.00 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 3mcr h PHE 76 Cb 0.44 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 3mcr h PHE 76 CO 0.00 0.21 -0.41 -0.44 -0.60 0.00 0.00 178.31 177.07 3mcr h ASP 77 N 0.57 0.42 -0.28 2.17 3.32 -1.81 -1.51 116.42 119.29 3mcr h ASP 77 Ca 0.34 -0.18 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 3mcr h ASP 77 Cb 0.36 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3mcr h ASP 77 CO -0.27 0.79 -0.44 -0.08 -1.72 0.00 0.00 179.24 177.52 3mcr h GLU 78 N 0.33 0.79 -0.29 3.56 4.81 -1.72 -1.06 114.58 121.00 3mcr h GLU 78 Ca 0.03 -0.48 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 3mcr h GLU 78 Cb 0.87 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3mcr h GLU 78 CO 0.07 1.11 0.00 0.28 -0.73 0.00 0.00 179.01 179.74 3mcr h VAL 79 N 0.54 1.25 -0.60 0.32 2.07 -1.08 -1.10 116.25 117.66 3mcr h VAL 79 Ca 0.02 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.67 3mcr h VAL 79 Cb 1.04 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3mcr h VAL 79 CO 0.10 0.30 0.35 0.00 0.02 0.00 0.00 177.57 178.33 3mcr h ALA 80 N 0.84 0.79 0.02 1.67 0.00 -1.24 -0.02 119.26 121.31 3mcr h ALA 80 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mcr h ALA 80 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mcr h ALA 80 CO 0.01 0.05 -0.01 -0.44 0.00 0.00 0.00 179.25 178.86 3mcr h ASP 81 N 0.67 -0.02 -0.88 0.00 5.19 -1.07 -1.71 116.42 118.59 3mcr h ASP 81 Ca 0.26 -0.05 0.06 0.00 -0.62 0.00 0.00 57.03 56.67 3mcr h ASP 81 Cb 0.10 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.56 3mcr h ASP 81 CO -0.14 0.04 0.57 0.00 -3.12 0.00 0.00 179.24 176.59 3mcr h ALA 82 N 0.89 1.53 -0.33 3.45 0.00 -0.77 -0.33 119.26 123.69 3mcr h ALA 82 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3mcr h ALA 82 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3mcr h ALA 82 CO 0.00 0.35 -0.13 1.25 0.00 0.00 0.00 179.25 180.72 3mcr h LEU 83 N 1.00 0.69 -0.70 0.00 5.85 -0.82 -1.68 115.31 119.66 3mcr h LEU 83 Ca 0.37 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3mcr h LEU 83 Cb 0.17 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3mcr h LEU 83 CO -0.13 0.93 0.43 -0.33 -0.34 0.00 0.00 178.44 179.00 3mcr h GLU 84 N 0.45 0.80 -0.03 1.25 3.07 -0.35 -2.66 114.58 117.11 3mcr h GLU 84 Ca 0.08 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3mcr h GLU 84 Cb 0.66 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3mcr h GLU 84 CO 0.04 0.53 0.01 -0.09 -1.40 0.00 0.00 179.01 178.11 3mcr h ARG 85 N 0.82 0.04 -0.54 2.33 2.43 -0.95 -1.93 114.38 116.58 3mcr h ARG 85 Ca 0.29 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.54 3mcr h ARG 85 Cb 0.07 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 3mcr h ARG 85 CO -0.13 0.14 0.17 0.77 -1.51 0.00 0.00 179.97 179.41 3mcr h SER 86 N -0.07 0.12 -0.32 -3.80 0.02 -1.15 -1.53 113.55 106.83 3mcr h SER 86 Ca 0.01 0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 3mcr h SER 86 Cb 0.11 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3mcr h SER 86 CO -0.00 0.09 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.43 3mcr h LEU 87 N 0.33 0.86 -0.56 5.07 3.38 -1.39 -2.71 115.31 120.28 3mcr h LEU 87 Ca 0.27 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3mcr h LEU 87 Cb 0.34 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3mcr h LEU 87 CO -0.30 1.08 0.36 0.11 0.09 0.00 0.00 178.44 179.77 3mcr h LYS 88 N 0.71 0.69 -0.49 1.13 1.79 -0.92 0.27 116.57 119.74 3mcr h LYS 88 Ca 0.08 -0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.62 3mcr h LYS 88 Cb 0.82 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.28 3mcr h LYS 88 CO 0.07 0.46 0.34 0.93 -1.08 0.00 0.00 179.45 180.17 3mcr h GLU 89 N 0.71 0.21 -0.60 3.15 5.08 -0.98 0.11 114.58 122.27 3mcr h GLU 89 Ca 0.22 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3mcr h GLU 89 Cb -0.03 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3mcr h GLU 89 CO -0.07 0.14 0.09 0.44 -1.00 0.00 0.00 179.01 178.60 3mcr n ILE 90 N -4.45 2.79 -2.78 3.13 -5.35 -1.00 -4.96 119.36 106.75 3mcr n ILE 90 Ca 0.08 -1.55 -0.11 0.00 -0.27 0.00 0.00 62.75 60.90 3mcr n ILE 90 Cb 0.41 -0.30 0.03 0.00 -1.74 0.00 0.00 39.64 38.03 3mcr n ILE 90 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mcr n GLY 91 N 0.24 0.18 2.91 3.28 0.00 0.39 -5.05 105.19 107.15 3mcr n GLY 91 Ca 0.32 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3mcr n GLY 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mcr s THR 92 N -2.97 1.19 0.28 2.61 2.01 0.93 -4.99 115.64 114.69 3mcr s THR 92 Ca 0.20 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 3mcr s THR 92 Cb -0.09 -1.34 -0.11 0.00 0.01 0.00 0.00 72.50 70.97 3mcr s THR 92 CO 0.24 0.15 1.57 -2.84 -0.69 0.00 0.00 174.62 173.05 3mcr s PRO 93 N 1.60 4.15 0.17 4.92 0.02 -1.26 -2.81 135.00 141.80 3mcr s PRO 93 Ca 0.01 2.52 -0.19 0.00 0.02 0.00 0.00 61.00 63.35 3mcr s PRO 93 Cb -0.15 -3.05 0.10 0.00 0.02 0.00 0.00 34.50 31.42 3mcr s PRO 93 CO -0.08 -0.59 1.62 -0.92 -0.33 0.00 0.00 177.00 176.70 3mcr h TYR 94 N 5.02 -0.59 -0.23 6.54 3.20 -1.92 -1.98 116.97 127.01 3mcr h TYR 94 Ca -0.47 0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.52 3mcr h TYR 94 Cb 1.22 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.80 3mcr h TYR 94 CO 0.59 -0.31 0.19 -0.44 -1.64 0.00 0.00 178.16 176.56 3mcr h ASP 95 N -0.15 0.00 0.82 -2.11 3.32 -1.91 0.36 116.42 116.75 3mcr h ASP 95 Ca 0.20 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 3mcr h ASP 95 Cb 0.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3mcr h ASP 95 CO -0.51 0.00 -0.83 0.00 -1.72 0.00 0.00 179.24 176.18 3mcr h THR 96 N 0.00 1.59 0.06 0.35 1.03 -1.74 -3.38 112.91 110.83 3mcr h THR 96 Ca 0.11 -2.83 -0.33 0.00 -0.01 0.00 0.00 66.41 63.35 3mcr h THR 96 Cb 0.49 2.53 -0.03 0.00 -1.07 0.00 0.00 68.15 70.07 3mcr h THR 96 CO -0.00 0.81 -1.84 0.00 -0.01 0.00 0.00 175.52 174.48 3mcr n ALA 97 N -2.38 0.92 -3.05 0.00 0.00 -0.16 -4.80 120.51 111.04 3mcr n ALA 97 Ca -0.01 -0.64 -0.36 0.00 0.00 0.00 0.00 53.44 52.43 3mcr n ALA 97 Cb 0.79 -0.53 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 3mcr n ALA 97 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mcr s ILE 98 N -2.49 4.32 -0.21 0.00 1.09 0.11 -1.06 121.20 122.96 3mcr s ILE 98 Ca -0.27 -0.17 0.22 0.00 -1.10 0.00 0.00 60.65 59.33 3mcr s ILE 98 Cb 0.07 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 38.42 3mcr s ILE 98 CO 0.67 0.34 0.99 -1.54 -0.10 0.00 0.00 174.94 175.31 3mcr n SER 99 N 4.88 0.83 -3.62 3.58 3.41 -0.05 -4.28 113.62 118.37 3mcr n SER 99 Ca -0.16 0.33 -0.08 0.00 -0.26 0.00 0.00 58.87 58.70 3mcr n SER 99 Cb 0.51 0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.84 3mcr n SER 99 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3mcr s ARG 100 N -3.30 0.41 -0.03 4.33 3.52 -1.24 -5.02 118.95 117.62 3mcr s ARG 100 Ca -0.01 0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.94 3mcr s ARG 100 Cb 0.09 0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.66 3mcr s ARG 100 CO 0.80 -0.09 -0.17 0.08 -0.81 0.00 0.00 175.30 175.11 3mcr s VAL 101 N -0.37 2.87 0.01 7.11 1.01 -1.26 -0.23 120.40 129.54 3mcr s VAL 101 Ca 0.03 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3mcr s VAL 101 Cb -0.03 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3mcr s VAL 101 CO -0.05 0.56 -0.10 -0.69 0.00 0.00 0.00 175.10 174.82 3mcr s VAL 102 N -0.73 0.75 -0.14 2.92 1.01 -0.65 -0.87 120.40 122.68 3mcr s VAL 102 Ca 0.12 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 3mcr s VAL 102 Cb -0.10 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.64 3mcr s VAL 102 CO 0.01 0.07 -0.08 -0.69 0.00 0.00 0.00 175.10 174.40 3mcr s VAL 103 N -0.51 1.19 -0.09 2.92 1.01 -1.26 -1.16 120.40 122.49 3mcr s VAL 103 Ca 0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3mcr s VAL 103 Cb -0.05 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.13 3mcr s VAL 103 CO 0.00 0.30 0.20 -0.62 0.00 0.00 0.00 175.10 174.99 3mcr s ASP 104 N 1.63 -0.13 -1.44 3.32 2.15 -0.71 -4.91 116.67 116.57 3mcr s ASP 104 Ca 0.03 0.43 -0.06 0.00 0.43 0.00 0.00 52.55 53.39 3mcr s ASP 104 Cb -0.14 0.33 0.01 0.00 -0.30 0.00 0.00 42.92 42.82 3mcr s ASP 104 CO -0.09 -0.17 0.25 0.54 -0.17 0.00 0.00 175.17 175.54 3mcr n ARG 105 N 4.33 -1.56 -1.18 4.34 1.74 -1.26 -1.52 116.66 121.55 3mcr n ARG 105 Ca -0.24 0.20 -0.06 0.00 -0.77 0.00 0.00 57.85 56.98 3mcr n ARG 105 Cb 0.52 -3.75 -0.03 0.00 -1.02 0.00 0.00 32.46 28.18 3mcr n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mcr n GLY 106 N -2.30 0.80 3.22 -0.13 0.00 -1.26 -5.01 105.19 100.50 3mcr n GLY 106 Ca -0.29 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 3mcr n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mcr s GLU 107 N -2.10 1.53 -0.10 1.61 2.02 -0.57 -4.64 118.70 116.44 3mcr s GLU 107 Ca 0.00 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 3mcr s GLU 107 Cb 0.00 -1.53 -0.04 0.00 0.10 0.00 0.00 34.13 32.67 3mcr s GLU 107 CO 0.00 0.41 0.04 -1.50 0.02 0.00 0.00 175.26 174.23 3mcr s ILE 108 N -0.56 4.67 -0.09 -1.63 2.07 -1.26 -1.74 121.20 122.66 3mcr s ILE 108 Ca 0.07 -0.11 -0.00 0.00 -1.41 0.00 0.00 60.65 59.20 3mcr s ILE 108 Cb -0.08 -2.99 0.02 0.00 0.13 0.00 0.00 42.46 39.55 3mcr s ILE 108 CO -0.00 0.61 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.70 3mcr s THR 109 N -0.91 0.79 -0.38 4.00 2.01 -0.31 -1.46 115.64 119.38 3mcr s THR 109 Ca 0.14 -0.15 -0.17 0.00 0.31 0.00 0.00 61.69 61.82 3mcr s THR 109 Cb -0.12 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.55 3mcr s THR 109 CO 0.03 0.32 0.42 -0.36 -0.69 0.00 0.00 174.62 174.34 3mcr s PHE 110 N 1.68 3.19 -0.57 4.92 0.40 -0.01 -1.64 117.98 125.94 3mcr s PHE 110 Ca 0.03 -0.14 -0.28 0.00 -0.60 0.00 0.00 56.93 55.94 3mcr s PHE 110 Cb -0.13 -2.81 0.03 0.00 0.51 0.00 0.00 43.02 40.62 3mcr s PHE 110 CO -0.06 -0.57 1.22 -1.01 0.70 0.00 0.00 175.22 175.51 3mcr s HIS 111 N 2.14 2.57 -0.06 0.36 3.76 0.68 -1.98 115.29 122.75 3mcr s HIS 111 Ca 0.13 0.43 -0.10 0.00 -0.15 0.00 0.00 55.06 55.38 3mcr s HIS 111 Cb -0.17 -4.50 -0.05 0.00 1.11 0.00 0.00 32.58 28.98 3mcr s HIS 111 CO 0.13 -1.64 0.25 0.08 -0.85 0.00 0.00 174.74 172.71 3mcr s VAL 112 N 5.09 5.31 0.05 -0.90 1.01 -0.93 -0.87 120.40 129.17 3mcr s VAL 112 Ca 0.45 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 3mcr s VAL 112 Cb -0.08 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3mcr s VAL 112 CO 0.26 0.58 1.14 -1.10 0.00 0.00 0.00 175.10 175.98 3mcr s GLN 113 N -1.12 4.47 0.29 2.72 -1.52 -0.22 -4.26 119.66 120.02 3mcr s GLN 113 Ca 0.19 1.68 0.05 0.00 -1.95 0.00 0.00 55.36 55.33 3mcr s GLN 113 Cb -0.14 -3.37 0.72 0.00 -0.22 0.00 0.00 33.01 30.00 3mcr s GLN 113 CO 0.09 -0.18 1.75 0.07 -0.25 0.00 0.00 175.29 176.76 3mcr h ARG 114 N 6.70 0.61 -1.13 2.91 0.11 -1.91 -0.60 114.38 121.06 3mcr h ARG 114 Ca -0.42 -0.04 0.32 0.00 0.10 0.00 0.00 59.98 59.94 3mcr h ARG 114 Cb 1.22 -0.14 -0.08 0.00 1.11 0.00 0.00 29.97 32.07 3mcr h ARG 114 CO 0.79 0.40 0.76 0.93 0.10 0.00 0.00 179.97 182.95 3mcr h GLU 115 N 0.62 0.22 -0.23 0.08 4.39 -1.96 -2.04 114.58 115.67 3mcr h GLU 115 Ca 0.56 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.25 3mcr h GLU 115 Cb 0.94 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3mcr h GLU 115 CO -0.43 0.15 0.00 0.72 -1.16 0.00 0.00 179.01 178.29 3mcr n HIS 116 N -4.49 0.31 -0.29 4.33 8.25 -0.26 -4.78 115.22 118.29 3mcr n HIS 116 Ca 0.27 -0.51 -0.04 0.00 -0.26 0.00 0.00 57.72 57.19 3mcr n HIS 116 Cb 1.08 -0.04 0.08 0.00 1.12 0.00 0.00 29.99 32.23 3mcr n HIS 116 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3mcr h LEU 117 N 1.34 0.89 -0.58 2.41 5.85 -1.05 -2.42 115.31 121.75 3mcr h LEU 117 Ca 0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3mcr h LEU 117 Cb 0.67 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3mcr h LEU 117 CO 0.00 0.64 0.19 0.25 -0.34 0.00 0.00 178.44 179.18 3mcr h LEU 118 N 1.05 0.83 -0.14 2.25 5.85 -1.86 -0.93 115.31 122.37 3mcr h LEU 118 Ca 0.30 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3mcr h LEU 118 Cb -0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3mcr h LEU 118 CO -0.08 0.81 0.03 0.44 -0.34 0.00 0.00 178.44 179.31 3mcr h ASP 119 N 0.81 0.21 -0.44 1.25 3.32 -1.88 -1.27 116.42 118.41 3mcr h ASP 119 Ca 0.19 -0.23 0.06 0.00 0.02 0.00 0.00 57.03 57.07 3mcr h ASP 119 Cb 0.27 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 3mcr h ASP 119 CO -0.01 0.38 0.14 0.58 -1.72 0.00 0.00 179.24 178.61 3mcr h VAL 120 N 0.02 0.83 0.01 -1.35 2.07 -1.26 0.12 116.25 116.70 3mcr h VAL 120 Ca 0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3mcr h VAL 120 Cb 0.25 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3mcr h VAL 120 CO 0.00 0.05 -0.02 0.00 0.02 0.00 0.00 177.57 177.62 3mcr h ALA 121 N 1.30 -0.03 -0.29 1.67 0.00 -1.10 0.17 119.26 120.98 3mcr h ALA 121 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3mcr h ALA 121 Cb 0.22 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3mcr h ALA 121 CO -0.23 -0.52 0.00 1.15 0.00 0.00 0.00 179.25 179.65 3mcr h THR 122 N -0.04 0.80 -0.62 0.00 2.02 -0.70 -0.86 112.91 113.50 3mcr h THR 122 Ca 0.01 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3mcr h THR 122 Cb 0.05 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3mcr h THR 122 CO -0.02 0.02 0.18 0.03 0.37 0.00 0.00 175.52 176.10 3mcr h ARG 123 N 0.09 0.94 -0.45 6.66 2.47 -0.51 0.41 114.38 123.99 3mcr h ARG 123 Ca 0.14 -0.19 -0.06 0.00 -1.26 0.00 0.00 59.98 58.61 3mcr h ARG 123 Cb 0.18 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3mcr h ARG 123 CO -0.23 0.81 0.04 -0.07 0.56 0.00 0.00 179.97 181.09 3mcr h LEU 124 N 0.91 0.66 0.05 3.04 3.38 -0.09 -1.88 115.31 121.38 3mcr h LEU 124 Ca 0.20 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3mcr h LEU 124 Cb 0.27 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3mcr h LEU 124 CO -0.01 0.70 -0.29 -0.09 0.09 0.00 0.00 178.44 178.85 3mcr h ARG 125 N 0.67 0.11 0.03 1.13 2.43 -0.73 -0.26 114.38 117.76 3mcr h ARG 125 Ca 0.14 -0.18 -0.26 0.00 -0.81 0.00 0.00 59.98 58.88 3mcr h ARG 125 Cb 0.35 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3mcr h ARG 125 CO 0.01 1.08 -1.33 -0.44 -1.51 0.00 0.00 179.97 177.79 3mcr h ASP 126 N -0.78 0.10 -3.01 -3.80 3.32 -0.95 -3.37 116.42 107.94 3mcr h ASP 126 Ca -0.05 -0.13 -0.52 0.00 0.02 0.00 0.00 57.03 56.35 3mcr h ASP 126 Cb 1.22 -0.03 0.06 0.00 0.22 0.00 0.00 39.33 40.80 3mcr h ASP 126 CO 0.05 1.11 0.90 -0.62 -1.72 0.00 0.00 179.24 178.96 3mcr s ASP 127 N -6.60 6.48 0.56 6.45 -1.08 -0.71 -4.85 116.67 116.93 3mcr s ASP 127 Ca -0.03 2.78 0.30 0.00 -0.52 0.00 0.00 52.55 55.08 3mcr s ASP 127 Cb 0.09 -2.61 1.65 0.00 -1.46 0.00 0.00 42.92 40.58 3mcr s ASP 127 CO 0.83 -0.87 2.15 -0.65 0.52 0.00 0.00 175.17 177.15 3mcr h PRO 128 N 5.98 0.00 -0.00 4.34 0.11 -1.90 -0.53 132.00 140.00 3mcr h PRO 128 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mcr h PRO 128 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mcr h PRO 128 CO 0.87 0.07 -0.11 0.00 -0.21 0.00 0.00 178.00 178.62 3mcr n ALA 129 N -2.26 2.68 0.02 -0.75 0.00 -1.26 -4.42 120.51 114.51 3mcr n ALA 129 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 3mcr n ALA 129 Cb 0.18 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.24 3mcr n ALA 129 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mcr n LEU 130 N -1.27 1.03 -3.99 0.00 4.77 -0.93 -4.99 117.00 111.62 3mcr n LEU 130 Ca 0.11 0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.87 3mcr n LEU 130 Cb 0.30 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3mcr n LEU 130 CO 0.26 -0.64 -0.21 -2.11 -1.33 0.00 0.00 177.39 173.37 3mcr n ARG 131 N -3.45 -1.19 -2.80 3.23 0.00 -0.25 -4.76 116.66 107.44 3mcr n ARG 131 Ca -0.02 0.24 -0.43 0.00 -0.00 0.00 0.00 57.85 57.64 3mcr n ARG 131 Cb 0.08 -3.50 -0.03 0.00 -0.00 0.00 0.00 32.46 29.00 3mcr n ARG 131 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3mcr s PHE 132 N -3.74 2.70 0.03 2.89 0.40 -0.14 -4.40 117.98 115.71 3mcr s PHE 132 Ca 0.32 -0.67 -0.16 0.00 -0.60 0.00 0.00 56.93 55.81 3mcr s PHE 132 Cb -0.15 -4.37 -0.33 0.00 0.51 0.00 0.00 43.02 38.68 3mcr s PHE 132 CO 0.93 -1.70 1.02 0.93 0.70 0.00 0.00 175.22 177.10 3mcr h GLU 133 N 9.51 0.54 -5.82 0.44 3.07 -1.85 -3.39 114.58 117.09 3mcr h GLU 133 Ca -0.16 -0.85 -0.58 0.00 -0.50 0.00 0.00 59.36 57.28 3mcr h GLU 133 Cb 1.05 0.30 -0.07 0.00 -0.84 0.00 0.00 28.75 29.19 3mcr h GLU 133 CO 1.20 1.40 0.02 -0.51 -1.40 0.00 0.00 179.01 179.72 3mcr s LEU 134 N -7.74 4.25 -0.42 1.33 1.02 -1.04 -5.01 118.68 111.08 3mcr s LEU 134 Ca -0.10 0.95 -0.01 0.00 0.02 0.00 0.00 54.13 54.99 3mcr s LEU 134 Cb 0.04 -2.89 0.11 0.00 0.02 0.00 0.00 46.19 43.48 3mcr s LEU 134 CO 0.93 -0.12 0.19 0.00 0.02 0.00 0.00 176.35 177.37 3mcr h LEU 136 N 7.79 0.20 0.00 0.00 4.07 -1.67 -3.45 115.31 122.24 3mcr h LEU 136 Ca -0.10 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3mcr h LEU 136 Cb 1.03 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3mcr h LEU 136 CO 0.66 0.11 0.00 0.61 -1.08 0.00 0.00 178.44 178.74 3mcr n GLY 137 N -1.57 4.08 3.76 0.83 0.00 -1.26 -5.02 105.19 106.01 3mcr n GLY 137 Ca 0.10 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 3mcr n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcr s VAL 138 N -0.05 2.82 0.01 1.61 0.11 -1.26 -4.40 120.40 119.24 3mcr s VAL 138 Ca 0.00 0.55 0.05 0.00 -2.93 0.00 0.00 61.98 59.65 3mcr s VAL 138 Cb 0.00 -3.25 -0.01 0.00 -1.53 0.00 0.00 36.38 31.59 3mcr s VAL 138 CO 0.00 -0.07 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.66 3mcr s THR 139 N -1.59 1.18 0.14 5.04 2.01 -0.44 -4.74 115.64 117.26 3mcr s THR 139 Ca 0.72 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 3mcr s THR 139 Cb -0.29 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 3mcr s THR 139 CO 0.34 0.24 0.36 -0.83 -0.69 0.00 0.00 174.62 174.04 3mcr s GLY 140 N -0.60 2.18 -0.08 4.40 0.00 -1.26 -0.13 107.32 111.83 3mcr s GLY 140 Ca 0.05 -0.62 -0.07 0.00 0.00 0.00 0.00 44.72 44.08 3mcr s GLY 140 CO 0.00 -0.56 0.20 0.14 0.00 0.00 0.00 173.10 172.89 3mcr s VAL 141 N -1.67 -0.00 -0.09 1.40 1.01 0.02 -4.94 120.40 116.13 3mcr s VAL 141 Ca 0.40 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.44 3mcr s VAL 141 Cb -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.96 3mcr s VAL 141 CO 0.26 0.01 -0.22 -2.28 0.00 0.00 0.00 175.10 172.87 3mcr s HIS 142 N 0.23 2.30 -0.33 5.22 2.46 -1.26 -0.50 115.29 123.41 3mcr s HIS 142 Ca -0.01 -0.89 0.03 0.00 0.47 0.00 0.00 55.06 54.66 3mcr s HIS 142 Cb -0.02 -1.55 0.10 0.00 -0.13 0.00 0.00 32.58 30.97 3mcr s HIS 142 CO -0.01 -0.36 0.04 0.71 -2.47 0.00 0.00 174.74 172.66 3mcr s TYR 143 N 0.32 3.69 0.45 3.88 2.02 0.78 -5.00 117.35 123.50 3mcr s TYR 143 Ca -0.16 -2.87 0.20 0.00 -0.37 0.00 0.00 57.07 53.87 3mcr s TYR 143 Cb -0.17 -2.82 1.20 0.00 -0.40 0.00 0.00 41.96 39.77 3mcr s TYR 143 CO 0.07 -0.94 2.03 -1.00 -1.57 0.00 0.00 175.55 174.14 3mcr h PRO 144 N 7.67 0.00 0.00 -1.71 0.13 -1.97 -2.65 132.00 133.46 3mcr h PRO 144 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3mcr h PRO 144 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3mcr h PRO 144 CO 0.53 0.15 -0.31 1.05 -0.23 0.00 0.00 178.00 179.19 3mcr h GLU 145 N 0.00 0.00 -4.82 0.86 9.09 -1.95 -3.41 114.58 114.35 3mcr h GLU 145 Ca -0.00 0.00 -0.71 0.00 0.05 0.00 0.00 59.36 58.70 3mcr h GLU 145 Cb 0.31 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.31 3mcr h GLU 145 CO 0.02 0.00 2.23 -3.47 0.05 0.00 0.00 179.01 177.84 3mcr n ASP 146 N -2.36 4.76 -4.69 3.06 2.03 -1.00 -4.97 116.55 113.38 3mcr n ASP 146 Ca 0.04 -2.94 -0.44 0.00 0.52 0.00 0.00 54.79 51.97 3mcr n ASP 146 Cb 0.46 -1.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.17 3mcr n ASP 146 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3mcr n GLU 147 N 6.57 2.59 0.00 -0.67 1.02 -1.26 -1.70 120.64 127.19 3mcr n GLU 147 Ca 0.46 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.54 3mcr n GLU 147 Cb 0.42 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.05 3mcr n GLU 147 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mcr n GLY 148 N 4.03 2.25 2.72 0.62 0.00 -1.26 -4.81 105.19 108.74 3mcr n GLY 148 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 3mcr n GLY 148 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mcr n ASN 149 N 0.00 1.10 0.17 1.61 3.02 -0.69 -3.07 115.26 117.41 3mcr n ASN 149 Ca 0.00 -2.44 0.13 0.00 -0.03 0.00 0.00 54.58 52.24 3mcr n ASN 149 Cb 0.00 -0.34 0.30 0.00 -0.61 0.00 0.00 39.78 39.13 3mcr n ASN 149 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3mcr h GLU 150 N 2.71 0.00 -4.91 3.52 9.09 -1.37 -3.43 114.58 120.19 3mcr h GLU 150 Ca -0.14 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.61 3mcr h GLU 150 Cb 1.22 0.00 -0.25 0.00 -1.65 0.00 0.00 28.75 28.07 3mcr h GLU 150 CO 0.32 0.00 -0.65 -0.51 0.05 0.00 0.00 179.01 178.22 3mcr s LEU 151 N -5.45 3.45 0.12 3.06 1.43 -0.81 -0.15 118.68 120.32 3mcr s LEU 151 Ca 0.08 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.84 3mcr s LEU 151 Cb 0.08 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3mcr s LEU 151 CO 0.63 -0.09 -0.16 -1.00 0.23 0.00 0.00 176.35 175.96 3mcr s HIS 152 N 1.54 2.58 -0.08 0.29 3.76 0.34 -0.69 115.29 123.02 3mcr s HIS 152 Ca 0.05 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 3mcr s HIS 152 Cb -0.16 -1.35 0.02 0.00 1.11 0.00 0.00 32.58 32.20 3mcr s HIS 152 CO 0.01 0.41 -0.10 0.00 -0.85 0.00 0.00 174.74 174.21 3mcr s ALA 153 N -1.22 1.26 -0.22 -1.40 0.00 0.59 -0.80 121.76 119.97 3mcr s ALA 153 Ca 0.19 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 3mcr s ALA 153 Cb -0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 3mcr s ALA 153 CO 0.11 -0.12 -0.02 0.08 0.00 0.00 0.00 175.76 175.82 3mcr s VAL 154 N 1.12 3.59 -0.36 0.00 1.01 0.82 -1.61 120.40 124.98 3mcr s VAL 154 Ca -0.06 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3mcr s VAL 154 Cb -0.14 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.65 3mcr s VAL 154 CO -0.02 0.41 0.13 -0.31 0.00 0.00 0.00 175.10 175.31 3mcr s TYR 155 N 1.46 3.31 -0.08 5.22 1.51 -0.03 -1.33 117.35 127.42 3mcr s TYR 155 Ca 0.05 -1.64 -0.27 0.00 -1.01 0.00 0.00 57.07 54.21 3mcr s TYR 155 Cb -0.14 -2.49 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 3mcr s TYR 155 CO -0.01 -0.79 0.85 0.00 -1.11 0.00 0.00 175.55 174.48 3mcr s ALA 156 N 1.35 3.33 0.11 3.71 0.00 -1.26 -0.57 121.76 128.43 3mcr s ALA 156 Ca -0.00 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.31 3mcr s ALA 156 Cb -0.21 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3mcr s ALA 156 CO 0.01 -0.33 -0.22 -0.51 0.00 0.00 0.00 175.76 174.71 3mcr s LEU 157 N 1.33 2.31 -0.00 0.00 1.43 0.07 -1.59 118.68 122.23 3mcr s LEU 157 Ca 0.43 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3mcr s LEU 157 Cb -0.18 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.08 3mcr s LEU 157 CO 0.20 0.08 0.00 -0.60 0.23 0.00 0.00 176.35 176.26 3mcr s ARG 158 N -2.01 0.01 -0.29 1.70 3.52 -0.58 -1.88 118.95 119.42 3mcr s ARG 158 Ca 0.09 0.01 -0.03 0.00 -0.13 0.00 0.00 55.73 55.66 3mcr s ARG 158 Cb -0.10 -0.03 0.03 0.00 -1.56 0.00 0.00 34.95 33.30 3mcr s ARG 158 CO 0.05 -0.01 0.01 0.45 -0.81 0.00 0.00 175.30 174.99 3mcr s SER 159 N 0.08 4.83 0.09 -2.12 0.15 -0.35 -2.48 113.70 113.90 3mcr s SER 159 Ca -0.01 -1.03 -0.15 0.00 0.70 0.00 0.00 55.95 55.47 3mcr s SER 159 Cb -0.01 -1.75 -0.12 0.00 -1.71 0.00 0.00 66.02 62.43 3mcr s SER 159 CO -0.00 -0.22 1.35 0.40 1.20 0.00 0.00 173.24 175.97 3mcr h ILE 160 N 6.21 1.31 -0.01 6.45 1.08 -1.85 0.43 117.51 131.13 3mcr h ILE 160 Ca -0.27 -1.65 0.02 0.00 -0.39 0.00 0.00 64.86 62.57 3mcr h ILE 160 Cb 1.09 1.80 -0.05 0.00 -3.07 0.00 0.00 36.82 36.59 3mcr h ILE 160 CO 0.57 0.52 -0.48 0.74 -0.69 0.00 0.00 178.15 178.81 3mcr h THR 161 N 0.40 0.00 -0.06 -0.27 2.02 -1.94 -2.95 112.91 110.11 3mcr h THR 161 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3mcr h THR 161 Cb 1.04 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3mcr h THR 161 CO 0.10 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.40 3mcr n HIS 162 N -5.14 0.05 -3.57 3.16 8.25 -1.25 -4.98 115.22 111.75 3mcr n HIS 162 Ca -0.07 -0.03 -0.20 0.00 -0.26 0.00 0.00 57.72 57.17 3mcr n HIS 162 Cb 0.35 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.52 3mcr n HIS 162 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3mcr n ASN 163 N 0.60 -2.55 -4.62 0.41 5.15 0.06 -5.03 115.26 109.29 3mcr n ASN 163 Ca 0.17 -0.77 -0.24 0.00 -0.60 0.00 0.00 54.58 53.14 3mcr n ASN 163 Cb 0.44 -4.43 -0.08 0.00 -0.53 0.00 0.00 39.78 35.18 3mcr n ASN 163 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3mcr s TYR 164 N -3.53 2.66 -0.07 1.20 2.02 -0.72 -4.97 117.35 113.93 3mcr s TYR 164 Ca 0.11 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.55 3mcr s TYR 164 Cb -0.02 -1.21 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 3mcr s TYR 164 CO 0.79 0.60 0.17 -2.00 -1.57 0.00 0.00 175.55 173.53 3mcr s GLU 165 N -3.43 0.12 0.23 -0.62 2.12 -1.26 -1.21 118.70 114.65 3mcr s GLU 165 Ca 0.30 0.39 -0.08 0.00 0.36 0.00 0.00 54.97 55.95 3mcr s GLU 165 Cb -0.07 -0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.15 3mcr s GLU 165 CO 0.18 -0.15 0.33 0.96 -0.54 0.00 0.00 175.26 176.04 3mcr s ILE 166 N 1.11 0.00 0.00 -3.70 -4.36 -0.79 -4.66 121.20 108.81 3mcr s ILE 166 Ca -0.09 -1.66 0.04 0.00 -0.26 0.00 0.00 60.65 58.69 3mcr s ILE 166 Cb -0.11 -2.34 -0.01 0.00 1.25 0.00 0.00 42.46 41.25 3mcr s ILE 166 CO -0.06 0.00 -0.14 -0.13 0.24 0.00 0.00 174.94 174.85 3mcr s ARG 167 N -4.04 1.07 0.14 0.37 0.52 -0.54 -0.75 118.95 115.73 3mcr s ARG 167 Ca 0.30 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 54.98 3mcr s ARG 167 Cb 0.02 -1.05 -0.04 0.00 0.52 0.00 0.00 34.95 34.41 3mcr s ARG 167 CO 0.11 0.28 0.18 -0.51 0.02 0.00 0.00 175.30 175.38 3mcr s LEU 168 N -0.53 4.02 -0.22 2.53 1.43 0.26 -0.83 118.68 125.33 3mcr s LEU 168 Ca 0.04 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3mcr s LEU 168 Cb -0.06 -2.62 0.10 0.00 0.03 0.00 0.00 46.19 43.64 3mcr s LEU 168 CO -0.00 0.08 0.24 -0.70 0.23 0.00 0.00 176.35 176.20 3mcr s GLU 169 N -3.02 0.22 -0.05 1.70 2.12 -0.84 -0.85 118.70 117.99 3mcr s GLU 169 Ca 0.32 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.81 3mcr s GLU 169 Cb -0.11 -1.08 -0.03 0.00 0.26 0.00 0.00 34.13 33.17 3mcr s GLU 169 CO 0.25 -0.72 -0.05 0.08 -0.54 0.00 0.00 175.26 174.27 3mcr s VAL 170 N 2.34 3.81 0.30 3.70 1.01 -0.63 -2.19 120.40 128.73 3mcr s VAL 170 Ca 0.08 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3mcr s VAL 170 Cb -0.15 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 3mcr s VAL 170 CO -0.16 0.53 -0.03 -0.94 0.00 0.00 0.00 175.10 174.49 3mcr s SER 171 N -1.04 2.78 0.06 3.32 1.04 -1.26 -0.30 113.70 118.29 3mcr s SER 171 Ca 0.14 -1.24 -0.24 0.00 0.48 0.00 0.00 55.95 55.10 3mcr s SER 171 Cb -0.11 -0.17 0.06 0.00 0.10 0.00 0.00 66.02 65.90 3mcr s SER 171 CO 0.04 -0.40 0.56 0.00 0.98 0.00 0.00 173.24 174.42 3mcr s PRO 173 N -2.59 3.80 0.41 0.00 0.05 -1.17 -1.93 135.00 133.56 3mcr s PRO 173 Ca -0.04 1.03 0.08 0.00 0.05 0.00 0.00 61.00 62.11 3mcr s PRO 173 Cb -0.01 -2.11 0.85 0.00 0.05 0.00 0.00 34.50 33.28 3mcr s PRO 173 CO -0.03 -0.40 2.02 -0.44 0.05 0.00 0.00 177.00 178.20 3mcr h ASP 174 N 0.84 0.39 0.70 6.66 3.32 -1.94 -1.77 116.42 124.62 3mcr h ASP 174 Ca -0.47 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 3mcr h ASP 174 Cb 1.19 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 3mcr h ASP 174 CO 0.60 0.35 -0.03 0.77 -1.72 0.00 0.00 179.24 179.21 3mcr h SER 175 N 0.44 0.00 -1.47 6.45 4.64 -1.94 -3.32 113.55 118.34 3mcr h SER 175 Ca 0.11 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 61.00 3mcr h SER 175 Cb 0.07 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.86 3mcr h SER 175 CO -0.01 0.03 -0.86 -0.67 -0.87 0.00 0.00 176.83 174.45 3mcr n ASP 176 N -3.18 -1.15 -3.21 4.97 2.03 -0.90 -5.06 116.55 110.05 3mcr n ASP 176 Ca -0.01 -2.80 -0.37 0.00 0.52 0.00 0.00 54.79 52.14 3mcr n ASP 176 Cb 0.25 0.26 -0.04 0.00 -0.72 0.00 0.00 41.12 40.88 3mcr n ASP 176 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3mcr n PRO 177 N 1.95 3.64 -5.17 -0.67 -0.04 -0.72 -3.83 135.00 130.16 3mcr n PRO 177 Ca 0.20 -2.22 -0.32 0.00 -0.04 0.00 0.00 63.50 61.12 3mcr n PRO 177 Cb 0.55 -2.71 -0.17 0.00 -0.04 0.00 0.00 33.50 31.13 3mcr n PRO 177 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3mcr s HIS 178 N 1.73 2.58 -0.05 0.54 3.76 -1.26 -0.42 115.29 122.18 3mcr s HIS 178 Ca 0.68 -0.99 0.02 0.00 -0.15 0.00 0.00 55.06 54.62 3mcr s HIS 178 Cb 0.19 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 32.18 3mcr s HIS 178 CO -0.06 -0.39 -0.08 0.42 -0.85 0.00 0.00 174.74 173.78 3mcr s ILE 179 N 0.32 0.78 0.35 0.60 1.01 -0.76 -4.87 121.20 118.63 3mcr s ILE 179 Ca -0.18 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 3mcr s ILE 179 Cb -0.18 -0.74 -0.11 0.00 0.01 0.00 0.00 42.46 41.45 3mcr s ILE 179 CO 0.08 0.27 1.49 -2.84 0.00 0.00 0.00 174.94 173.95 3mcr s PRO 180 N 0.67 4.14 0.64 2.79 0.02 -1.26 -2.52 135.00 139.47 3mcr s PRO 180 Ca -0.11 2.54 -0.17 0.00 0.02 0.00 0.00 61.00 63.28 3mcr s PRO 180 Cb -0.14 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.38 3mcr s PRO 180 CO 0.01 -0.52 1.16 0.45 -0.33 0.00 0.00 177.00 177.77 3mcr s SER 181 N -0.02 5.02 -0.15 2.53 0.15 0.40 -4.77 113.70 116.86 3mcr s SER 181 Ca 0.55 2.21 0.15 0.00 0.70 0.00 0.00 55.95 59.55 3mcr s SER 181 Cb -0.46 -2.58 0.35 0.00 -1.71 0.00 0.00 66.02 61.62 3mcr s SER 181 CO 0.59 -1.70 1.18 2.30 1.20 0.00 0.00 173.24 176.80 3mcr n ILE 182 N -2.09 1.78 0.09 6.45 -5.35 -1.26 -4.74 119.36 114.23 3mcr n ILE 182 Ca 0.12 -2.50 0.03 0.00 -0.27 0.00 0.00 62.75 60.13 3mcr n ILE 182 Cb 0.51 -0.10 0.40 0.00 -1.74 0.00 0.00 39.64 38.71 3mcr n ILE 182 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3mcr h VAL 183 N 1.47 1.15 -0.78 7.28 2.07 -1.92 0.47 116.25 126.00 3mcr h VAL 183 Ca -0.02 -0.61 0.11 0.00 0.82 0.00 0.00 66.70 67.01 3mcr h VAL 183 Cb 1.10 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3mcr h VAL 183 CO 0.01 0.20 0.51 0.28 0.02 0.00 0.00 177.57 178.59 3mcr h SER 184 N 0.32 0.57 0.01 0.57 0.02 -1.92 -2.51 113.55 110.60 3mcr h SER 184 Ca 0.07 0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.78 3mcr h SER 184 Cb 0.26 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 3mcr h SER 184 CO 0.01 0.32 -1.41 0.52 -1.14 0.00 0.00 176.83 175.14 3mcr n VAL 185 N -4.51 1.55 -3.89 2.27 0.31 -0.75 -4.80 118.33 108.51 3mcr n VAL 185 Ca 0.14 -0.09 -0.30 0.00 -0.01 0.00 0.00 64.34 64.08 3mcr n VAL 185 Cb 0.39 -2.01 -0.14 0.00 -0.91 0.00 0.00 33.84 31.17 3mcr n VAL 185 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3mcr s TYR 186 N -2.39 2.91 0.31 3.52 2.02 0.08 -5.00 117.35 118.80 3mcr s TYR 186 Ca -0.29 -2.92 0.06 0.00 -0.37 0.00 0.00 57.07 53.54 3mcr s TYR 186 Cb 0.07 -2.57 0.73 0.00 -0.40 0.00 0.00 41.96 39.79 3mcr s TYR 186 CO 0.59 -0.78 1.79 -1.35 -1.57 0.00 0.00 175.55 174.23 3mcr h PRO 187 N 6.74 0.76 -1.12 -1.71 0.11 -1.69 -1.89 132.00 133.21 3mcr h PRO 187 Ca -0.06 -0.05 0.31 0.00 0.11 0.00 0.00 66.00 66.31 3mcr h PRO 187 Cb 0.92 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 31.78 3mcr h PRO 187 CO 0.61 0.50 0.75 1.15 -0.21 0.00 0.00 178.00 180.80 3mcr h THR 188 N 0.79 0.44 0.00 -1.15 2.02 -1.93 -2.31 112.91 110.77 3mcr h THR 188 Ca 0.56 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.66 3mcr h THR 188 Cb 0.85 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3mcr h THR 188 CO -0.35 0.04 0.00 -3.20 0.37 0.00 0.00 175.52 172.38 3mcr n ASN 189 N -4.49 0.00 0.00 4.18 5.15 -0.71 -4.00 115.26 115.39 3mcr n ASN 189 Ca 0.27 0.40 -0.13 0.00 -0.60 0.00 0.00 54.58 54.51 3mcr n ASN 189 Cb 1.06 -0.44 -0.07 0.00 -0.53 0.00 0.00 39.78 39.79 3mcr n ASN 189 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 3mcr h ASP 190 N 0.00 -1.44 -0.71 1.20 1.82 -1.62 -0.67 116.42 115.01 3mcr h ASP 190 Ca 0.00 0.18 -0.06 0.00 -0.39 0.00 0.00 57.03 56.76 3mcr h ASP 190 Cb 0.17 0.57 -0.03 0.00 0.68 0.00 0.00 39.33 40.72 3mcr h ASP 190 CO 0.00 -0.45 0.21 -0.25 -1.61 0.00 0.00 179.24 177.14 3mcr h TRP 191 N -0.53 1.17 -0.75 0.28 2.91 -1.85 -1.78 115.95 115.39 3mcr h TRP 191 Ca 0.06 -0.12 -0.04 0.00 1.13 0.00 0.00 58.89 59.92 3mcr h TRP 191 Cb 0.65 -0.34 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 3mcr h TRP 191 CO -0.51 0.93 0.29 0.45 -1.03 0.00 0.00 178.44 178.57 3mcr h HIS 192 N 1.08 1.14 -0.60 2.65 3.86 -1.70 0.37 115.15 121.94 3mcr h HIS 192 Ca 0.23 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 3mcr h HIS 192 Cb 0.32 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3mcr h HIS 192 CO 0.03 0.87 -0.01 0.93 0.86 0.00 0.00 177.93 180.60 3mcr h GLU 193 N 1.09 1.07 -0.21 2.45 5.08 -0.96 -0.69 114.58 122.42 3mcr h GLU 193 Ca 0.25 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3mcr h GLU 193 Cb 0.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3mcr h GLU 193 CO -0.02 1.05 0.13 -0.09 -1.00 0.00 0.00 179.01 179.08 3mcr h ARG 194 N 0.97 0.26 -0.67 2.33 2.43 -0.41 -0.20 114.38 119.09 3mcr h ARG 194 Ca 0.17 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3mcr h ARG 194 Cb 0.57 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3mcr h ARG 194 CO 0.03 0.17 0.26 0.93 -1.51 0.00 0.00 179.97 179.85 3mcr h GLU 195 N 0.27 0.98 -0.57 0.20 5.08 -0.14 -1.05 114.58 119.35 3mcr h GLU 195 Ca 0.08 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3mcr h GLU 195 Cb -0.02 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3mcr h GLU 195 CO -0.02 0.81 0.21 0.00 -1.00 0.00 0.00 179.01 179.00 3mcr h ALA 196 N 1.32 1.29 -0.08 3.43 0.00 -0.63 -2.65 119.26 121.94 3mcr h ALA 196 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3mcr h ALA 196 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3mcr h ALA 196 CO -0.02 0.52 -0.01 2.35 0.00 0.00 0.00 179.25 182.09 3mcr h TRP 197 N 0.82 0.16 -0.08 0.00 7.01 -0.41 -1.70 115.95 121.76 3mcr h TRP 197 Ca 0.19 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.20 3mcr h TRP 197 Cb 0.20 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.15 3mcr h TRP 197 CO 0.01 0.43 -0.43 -0.44 -2.79 0.00 0.00 178.44 175.23 3mcr h ASP 198 N -0.16 -1.33 0.29 2.65 3.32 -0.96 0.10 116.42 120.33 3mcr h ASP 198 Ca 0.02 0.17 -0.20 0.00 0.02 0.00 0.00 57.03 57.04 3mcr h ASP 198 Cb 0.37 0.53 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 3mcr h ASP 198 CO 0.01 -0.44 -0.80 -0.26 -1.72 0.00 0.00 179.24 176.02 3mcr h PHE 199 N -0.53 0.57 0.00 4.55 0.04 -1.56 -3.40 116.94 116.62 3mcr h PHE 199 Ca 0.06 -0.27 -0.09 0.00 2.80 0.00 0.00 57.97 60.47 3mcr h PHE 199 Cb 0.64 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 3mcr h PHE 199 CO -0.47 1.05 -1.57 1.19 -0.60 0.00 0.00 178.31 177.91 3mcr n PHE 200 N -3.80 0.00 -0.67 -0.55 3.72 -0.64 -5.03 117.46 110.49 3mcr n PHE 200 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3mcr n PHE 200 Cb 0.75 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3mcr n PHE 200 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mcr n GLY 201 N 2.18 0.59 3.63 1.37 0.00 0.35 -5.02 105.19 108.29 3mcr n GLY 201 Ca -0.09 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 3mcr n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mcr s ILE 202 N -2.00 4.31 -0.30 -0.61 1.01 -1.26 -4.85 121.20 117.49 3mcr s ILE 202 Ca 0.00 1.49 -0.25 0.00 0.00 0.00 0.00 60.65 61.89 3mcr s ILE 202 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.19 3mcr s ILE 202 CO 0.00 -0.48 0.88 -0.63 0.00 0.00 0.00 174.94 174.71 3mcr s ILE 203 N 4.02 4.71 -1.00 2.92 1.09 0.44 -4.10 121.20 129.28 3mcr s ILE 203 Ca 0.51 1.38 -0.17 0.00 -1.10 0.00 0.00 60.65 61.28 3mcr s ILE 203 Cb -0.15 -4.23 0.15 0.00 -1.06 0.00 0.00 42.46 37.18 3mcr s ILE 203 CO 0.20 -0.31 1.18 -0.36 -0.10 0.00 0.00 174.94 175.55 3mcr s PHE 204 N 3.15 3.31 0.23 3.97 0.08 -1.26 -1.82 117.98 125.65 3mcr s PHE 204 Ca 0.37 -1.68 -0.31 0.00 0.12 0.00 0.00 56.93 55.43 3mcr s PHE 204 Cb -0.14 -4.24 -0.14 0.00 -0.57 0.00 0.00 43.02 37.93 3mcr s PHE 204 CO 0.13 -1.41 1.24 -0.25 -0.10 0.00 0.00 175.22 174.83 3mcr n ASP 205 N 5.99 2.01 0.00 1.36 8.00 -1.05 -1.58 116.55 131.28 3mcr n ASP 205 Ca 0.27 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.92 3mcr n ASP 205 Cb 0.47 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 3mcr n ASP 205 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mcr n GLY 206 N 1.84 1.38 3.77 0.44 0.00 -1.26 -0.45 105.19 110.90 3mcr n GLY 206 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3mcr n GLY 206 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mcr s HIS 207 N -3.11 2.70 0.28 1.61 5.04 -0.62 -4.88 115.29 116.32 3mcr s HIS 207 Ca 0.00 1.05 -0.01 0.00 -1.54 0.00 0.00 55.06 54.55 3mcr s HIS 207 Cb 0.00 -4.00 0.62 0.00 0.04 0.00 0.00 32.58 29.24 3mcr s HIS 207 CO 0.00 -3.09 1.61 -1.35 -2.34 0.00 0.00 174.74 169.58 3mcr h PRO 208 N 3.78 0.09 0.00 2.88 0.11 -1.95 0.05 132.00 136.96 3mcr h PRO 208 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mcr h PRO 208 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mcr h PRO 208 CO 0.70 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 3mcr h ALA 209 N 1.83 1.00 0.00 -0.75 0.00 -1.97 -2.77 119.26 116.60 3mcr h ALA 209 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3mcr h ALA 209 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3mcr h ALA 209 CO -0.76 0.00 -0.49 1.28 0.00 0.00 0.00 179.25 179.28 3mcr n LEU 210 N -2.52 0.50 0.00 0.00 4.32 0.00 -5.20 117.00 114.10 3mcr n LEU 210 Ca -0.02 0.09 0.10 0.00 -0.02 0.00 0.00 56.01 56.17 3mcr n LEU 210 Cb 0.07 -0.26 0.61 0.00 -1.62 0.00 0.00 43.42 42.22 3mcr n LEU 210 CO 0.14 0.08 0.80 0.41 -1.22 0.00 0.00 177.39 177.60