#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rm1 n GLY 62 N 0.00 0.76 3.39 5.00 0.00 -1.26 -5.05 105.19 108.02 1rm1 n GLY 62 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1rm1 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rm1 s ILE 63 N -2.99 2.29 -0.20 -0.61 1.01 -1.26 -5.12 121.20 114.32 1rm1 s ILE 63 Ca 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 59.05 1rm1 s ILE 63 Cb 0.00 -1.98 0.05 0.00 0.01 0.00 0.00 42.46 40.53 1rm1 s ILE 63 CO 0.00 0.18 -0.08 -0.69 0.00 0.00 0.00 174.94 174.35 1rm1 s VAL 64 N -0.99 1.49 0.43 2.92 1.01 -1.26 -5.02 120.40 118.99 1rm1 s VAL 64 Ca 0.14 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 1rm1 s VAL 64 Cb -0.10 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 1rm1 s VAL 64 CO 0.05 0.09 0.97 -0.81 0.00 0.00 0.00 175.10 175.40 1rm1 n PRO 65 N 4.72 1.26 -3.52 2.72 -0.04 -1.26 -4.96 135.00 133.92 1rm1 n PRO 65 Ca -0.13 0.45 -0.37 0.00 -0.04 0.00 0.00 63.50 63.41 1rm1 n PRO 65 Cb 0.46 -2.01 -0.09 0.00 -0.04 0.00 0.00 33.50 31.83 1rm1 n PRO 65 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1rm1 s THR 66 N -1.30 5.28 0.01 0.52 2.01 -0.45 -4.88 115.64 116.83 1rm1 s THR 66 Ca 0.64 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 1rm1 s THR 66 Cb -0.55 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 1rm1 s THR 66 CO 0.56 0.28 1.50 -0.76 -0.69 0.00 0.00 174.62 175.52 1rm1 s LEU 67 N 1.30 4.33 -0.03 4.42 1.02 -1.26 -1.32 118.68 127.13 1rm1 s LEU 67 Ca 0.13 2.22 0.10 0.00 0.02 0.00 0.00 54.13 56.60 1rm1 s LEU 67 Cb -0.14 -3.56 -0.16 0.00 0.02 0.00 0.00 46.19 42.35 1rm1 s LEU 67 CO 0.07 -0.80 0.20 0.00 0.02 0.00 0.00 176.35 175.84 1rm1 n GLN 68 N 5.71 0.68 -3.63 1.70 1.13 0.48 -4.85 117.38 118.59 1rm1 n GLN 68 Ca 0.14 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 55.01 1rm1 n GLN 68 Cb 0.43 -1.25 -0.07 0.00 0.11 0.00 0.00 30.24 29.45 1rm1 n GLN 68 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1rm1 s ASN 69 N -3.40 -0.77 -0.06 1.08 2.47 -1.12 -4.68 114.94 108.45 1rm1 s ASN 69 Ca -0.04 1.39 0.01 0.00 0.42 0.00 0.00 52.86 54.64 1rm1 s ASN 69 Cb 0.06 1.38 0.02 0.00 -1.45 0.00 0.00 41.25 41.27 1rm1 s ASN 69 CO 0.44 -0.23 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.90 1rm1 s ILE 70 N 0.79 0.69 -0.19 -5.21 1.01 0.20 -1.07 121.20 117.42 1rm1 s ILE 70 Ca -0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1rm1 s ILE 70 Cb -0.05 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1rm1 s ILE 70 CO -0.07 0.28 0.03 -0.69 0.00 0.00 0.00 174.94 174.49 1rm1 s VAL 71 N 1.17 4.34 0.09 2.92 1.01 -0.00 -3.55 120.40 126.38 1rm1 s VAL 71 Ca -0.07 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1rm1 s VAL 71 Cb -0.14 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1rm1 s VAL 71 CO -0.01 0.43 -0.11 0.00 0.00 0.00 0.00 175.10 175.41 1rm1 s ALA 72 N 0.76 1.10 0.12 5.51 0.00 -0.21 0.68 121.76 129.72 1rm1 s ALA 72 Ca 0.02 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.95 1rm1 s ALA 72 Cb -0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1rm1 s ALA 72 CO 0.02 0.03 -0.13 0.95 0.00 0.00 0.00 175.76 176.63 1rm1 s THR 73 N -2.01 3.17 -0.10 0.00 -4.23 -0.40 -0.06 115.64 112.01 1rm1 s THR 73 Ca 0.02 -1.40 -0.05 0.00 -1.18 0.00 0.00 61.69 59.08 1rm1 s THR 73 Cb -0.06 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.35 1rm1 s THR 73 CO 0.01 0.08 0.24 -0.69 -0.54 0.00 0.00 174.62 173.71 1rm1 s VAL 74 N -1.26 -0.08 -0.29 2.29 1.01 -0.25 -2.05 120.40 119.77 1rm1 s VAL 74 Ca 0.21 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1rm1 s VAL 74 Cb -0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1rm1 s VAL 74 CO 0.13 0.07 0.43 -0.89 0.00 0.00 0.00 175.10 174.84 1rm1 s THR 75 N 1.40 5.11 -1.68 3.92 2.01 -1.09 -0.73 115.64 124.58 1rm1 s THR 75 Ca -0.08 0.53 0.28 0.00 0.31 0.00 0.00 61.69 62.74 1rm1 s THR 75 Cb -0.11 -3.80 0.42 0.00 0.01 0.00 0.00 72.50 69.03 1rm1 s THR 75 CO -0.08 0.03 1.81 0.18 -0.69 0.00 0.00 174.62 175.86 1rm1 n LEU 76 N 5.48 0.58 -3.48 4.42 4.77 0.10 -1.91 117.00 126.96 1rm1 n LEU 76 Ca -0.07 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.67 1rm1 n LEU 76 Cb 0.50 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1rm1 n LEU 76 CO 0.40 0.11 0.02 0.61 -1.33 0.00 0.00 177.39 177.20 1rm1 n GLY 77 N 1.29 -1.14 0.00 -0.72 0.00 -1.26 -0.28 105.19 103.08 1rm1 n GLY 77 Ca 0.14 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1rm1 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm1 n ARG 79 N -0.04 0.82 -4.27 0.00 5.12 -1.26 -3.76 116.66 113.27 1rm1 n ARG 79 Ca 0.00 0.33 -0.20 0.00 -1.93 0.00 0.00 57.85 56.05 1rm1 n ARG 79 Cb 0.00 -2.19 -0.13 0.00 -1.16 0.00 0.00 32.46 28.98 1rm1 n ARG 79 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1rm1 s LEU 80 N -2.32 2.24 -0.54 0.55 1.43 0.21 -4.84 118.68 115.40 1rm1 s LEU 80 Ca 0.77 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 1rm1 s LEU 80 Cb -0.40 -0.62 0.13 0.00 0.03 0.00 0.00 46.19 45.33 1rm1 s LEU 80 CO 0.46 -0.01 0.50 -0.62 0.23 0.00 0.00 176.35 176.91 1rm1 s ASP 81 N -1.53 6.17 0.31 2.29 3.68 -1.26 -4.59 116.67 121.74 1rm1 s ASP 81 Ca 0.01 -1.82 0.00 0.00 2.13 0.00 0.00 52.55 52.87 1rm1 s ASP 81 Cb -0.09 -2.20 0.53 0.00 -1.45 0.00 0.00 42.92 39.72 1rm1 s ASP 81 CO 0.02 -0.84 1.95 -0.07 0.13 0.00 0.00 175.17 176.36 1rm1 h LEU 82 N 8.83 0.87 -1.47 -1.34 3.38 -1.93 -1.06 115.31 122.59 1rm1 h LEU 82 Ca -0.28 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1rm1 h LEU 82 Cb 1.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1rm1 h LEU 82 CO 1.02 0.60 0.38 0.50 0.09 0.00 0.00 178.44 181.02 1rm1 h LYS 83 N 1.01 0.68 0.03 1.13 3.11 -1.99 -0.53 116.57 120.01 1rm1 h LYS 83 Ca 0.33 -0.04 -0.26 0.00 -2.81 0.00 0.00 60.65 57.86 1rm1 h LYS 83 Cb 0.04 -0.15 0.02 0.00 -1.00 0.00 0.00 32.23 31.14 1rm1 h LYS 83 CO -0.10 0.45 -1.07 1.15 -2.81 0.00 0.00 179.45 177.08 1rm1 h THR 84 N 0.70 1.31 0.01 1.00 2.02 -1.64 -2.92 112.91 113.39 1rm1 h THR 84 Ca 0.22 -2.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.05 1rm1 h THR 84 Cb 0.02 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1rm1 h THR 84 CO -0.06 0.72 -0.00 0.58 0.37 0.00 0.00 175.52 177.13 1rm1 h VAL 85 N 0.33 1.03 -0.27 3.16 2.07 -0.74 -1.49 116.25 120.34 1rm1 h VAL 85 Ca -0.13 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1rm1 h VAL 85 Cb 1.72 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1rm1 h VAL 85 CO 0.20 0.03 0.20 0.00 0.02 0.00 0.00 177.57 178.02 1rm1 h ALA 86 N 0.93 2.23 0.05 1.67 0.00 -1.18 0.00 119.26 122.96 1rm1 h ALA 86 Ca -0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1rm1 h ALA 86 Cb 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1rm1 h ALA 86 CO 0.00 -0.34 -1.21 -0.07 0.00 0.00 0.00 179.25 177.63 1rm1 h LEU 87 N 0.00 0.17 0.00 0.00 4.07 -1.18 -3.38 115.31 115.00 1rm1 h LEU 87 Ca 0.13 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1rm1 h LEU 87 Cb 0.53 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1rm1 h LEU 87 CO -0.00 1.16 -1.45 1.41 -1.08 0.00 0.00 178.44 178.48 1rm1 n HIS 88 N -3.38 0.00 -3.65 1.13 8.25 -0.63 -4.95 115.22 111.98 1rm1 n HIS 88 Ca -0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.05 1rm1 n HIS 88 Cb 0.99 -0.25 -0.05 0.00 1.12 0.00 0.00 29.99 31.80 1rm1 n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rm1 s ALA 89 N -3.11 3.77 0.46 -1.41 0.00 -0.06 -5.05 121.76 116.36 1rm1 s ALA 89 Ca -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 1rm1 s ALA 89 Cb 0.13 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1rm1 s ALA 89 CO 0.80 0.59 0.76 1.03 0.00 0.00 0.00 175.76 178.94 1rm1 s ARG 90 N -1.74 3.57 -1.49 0.00 0.52 -1.26 -4.16 118.95 114.39 1rm1 s ARG 90 Ca 0.29 0.19 -0.06 0.00 -0.52 0.00 0.00 55.73 55.63 1rm1 s ARG 90 Cb -0.14 -2.41 0.02 0.00 0.52 0.00 0.00 34.95 32.95 1rm1 s ARG 90 CO 0.16 -0.15 0.62 0.09 0.02 0.00 0.00 175.30 176.05 1rm1 n ASN 91 N -2.07 -5.57 -4.42 0.23 3.02 -1.26 -4.77 115.26 100.42 1rm1 n ASN 91 Ca 0.00 -0.33 -0.32 0.00 -0.03 0.00 0.00 54.58 53.90 1rm1 n ASN 91 Cb 0.55 -4.51 -0.14 0.00 -0.61 0.00 0.00 39.78 35.07 1rm1 n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rm1 s ALA 92 N -3.13 2.48 -0.05 5.41 0.00 -1.26 -3.08 121.76 122.12 1rm1 s ALA 92 Ca 0.35 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1rm1 s ALA 92 Cb -0.16 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.18 1rm1 s ALA 92 CO 0.43 0.55 -0.11 -1.83 0.00 0.00 0.00 175.76 174.80 1rm1 s GLU 93 N -0.79 1.40 -0.13 0.00 -1.05 -0.47 -4.98 118.70 112.67 1rm1 s GLU 93 Ca 0.11 -0.38 -0.02 0.00 -0.15 0.00 0.00 54.97 54.53 1rm1 s GLU 93 Cb -0.10 -1.22 0.04 0.00 -0.44 0.00 0.00 34.13 32.41 1rm1 s GLU 93 CO 0.01 0.08 -0.00 -0.47 0.95 0.00 0.00 175.26 175.82 1rm1 s TYR 94 N 0.43 1.04 -0.45 4.83 5.04 -1.26 -1.60 117.35 125.38 1rm1 s TYR 94 Ca -0.09 -0.60 0.07 0.00 -2.44 0.00 0.00 57.07 54.01 1rm1 s TYR 94 Cb -0.13 -1.00 0.24 0.00 0.35 0.00 0.00 41.96 41.42 1rm1 s TYR 94 CO 0.02 -0.49 0.54 -1.71 -1.34 0.00 0.00 175.55 172.58 1rm1 n ASN 95 N 5.05 0.86 -0.49 4.32 5.15 -1.26 -4.98 115.26 123.90 1rm1 n ASN 95 Ca -0.09 -2.81 0.42 0.00 -0.60 0.00 0.00 54.58 51.50 1rm1 n ASN 95 Cb 0.49 -0.64 0.76 0.00 -0.53 0.00 0.00 39.78 39.85 1rm1 n ASN 95 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1rm1 h PRO 96 N 4.24 0.03 0.00 1.20 0.13 -1.88 0.21 132.00 135.93 1rm1 h PRO 96 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1rm1 h PRO 96 Cb 0.84 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1rm1 h PRO 96 CO 0.53 0.02 0.08 0.87 -0.23 0.00 0.00 178.00 179.26 1rm1 h LYS 97 N 0.03 0.00 0.00 0.86 1.57 -2.01 -3.13 116.57 113.89 1rm1 h LYS 97 Ca 0.74 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.52 1rm1 h LYS 97 Cb 2.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.17 1rm1 h LYS 97 CO -0.07 0.00 -0.90 0.54 -0.57 0.00 0.00 179.45 178.45 1rm1 n ARG 98 N -3.02 2.18 -3.65 3.15 1.74 0.70 -5.04 116.66 112.71 1rm1 n ARG 98 Ca -0.03 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.00 1rm1 n ARG 98 Cb 0.14 -0.95 -0.07 0.00 -1.02 0.00 0.00 32.46 30.56 1rm1 n ARG 98 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1rm1 s PHE 99 N -1.85 -1.07 -1.04 -1.55 5.99 -0.97 -5.06 117.98 112.43 1rm1 s PHE 99 Ca 0.00 1.99 -0.08 0.00 0.00 0.00 0.00 56.93 58.84 1rm1 s PHE 99 Cb 0.00 0.59 -0.11 0.00 0.00 0.00 0.00 43.02 43.50 1rm1 s PHE 99 CO 0.00 -0.55 3.09 0.00 -0.00 0.00 0.00 175.22 177.76 1rm1 n ALA 100 N 4.96 7.08 -3.45 11.12 0.00 -1.26 -3.50 120.51 135.45 1rm1 n ALA 100 Ca -0.15 -3.06 -0.14 0.00 0.00 0.00 0.00 53.44 50.09 1rm1 n ALA 100 Cb 0.53 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.02 1rm1 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rm1 s ALA 101 N 1.21 -1.66 -0.17 0.00 0.00 -1.26 -4.51 121.76 115.37 1rm1 s ALA 101 Ca 0.67 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 1rm1 s ALA 101 Cb 0.23 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1rm1 s ALA 101 CO -0.06 -0.64 0.33 0.08 0.00 0.00 0.00 175.76 175.48 1rm1 s VAL 102 N -2.93 5.27 -0.26 0.00 1.01 0.11 -4.52 120.40 119.08 1rm1 s VAL 102 Ca -0.03 0.62 -0.13 0.00 0.00 0.00 0.00 61.98 62.45 1rm1 s VAL 102 Cb -0.01 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1rm1 s VAL 102 CO -0.06 0.35 0.26 -0.63 0.00 0.00 0.00 175.10 175.02 1rm1 s ILE 103 N 0.70 5.27 0.00 2.22 1.01 -0.63 -0.46 121.20 129.32 1rm1 s ILE 103 Ca 0.18 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1rm1 s ILE 103 Cb -0.14 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 1rm1 s ILE 103 CO 0.06 0.25 -0.09 -0.32 0.00 0.00 0.00 174.94 174.83 1rm1 s MET 104 N 1.59 0.71 0.13 2.79 1.75 -0.27 -1.37 119.30 124.63 1rm1 s MET 104 Ca 0.11 -0.42 0.09 0.00 -1.25 0.00 0.00 55.69 54.22 1rm1 s MET 104 Cb -0.15 -0.67 -0.04 0.00 2.84 0.00 0.00 34.83 36.81 1rm1 s MET 104 CO 0.09 0.18 -0.22 1.03 -0.65 0.00 0.00 175.02 175.45 1rm1 s ARG 105 N -0.47 1.24 0.17 4.11 0.52 -1.18 0.90 118.95 124.25 1rm1 s ARG 105 Ca 0.02 -1.29 0.03 0.00 -0.52 0.00 0.00 55.73 53.97 1rm1 s ARG 105 Cb -0.05 -1.50 -0.05 0.00 0.52 0.00 0.00 34.95 33.88 1rm1 s ARG 105 CO -0.00 0.34 -0.04 0.96 0.02 0.00 0.00 175.30 176.57 1rm1 s ILE 106 N -1.41 0.97 -0.13 1.52 -4.36 -1.05 -4.87 121.20 111.87 1rm1 s ILE 106 Ca 0.11 -2.02 0.18 0.00 -0.26 0.00 0.00 60.65 58.66 1rm1 s ILE 106 Cb -0.09 -2.05 -0.17 0.00 1.25 0.00 0.00 42.46 41.41 1rm1 s ILE 106 CO 0.06 -0.57 0.68 0.54 0.24 0.00 0.00 174.94 175.89 1rm1 n ARG 107 N -0.26 0.63 -3.63 0.37 1.74 -1.26 -2.70 116.66 111.56 1rm1 n ARG 107 Ca -0.08 0.14 -0.28 0.00 -0.77 0.00 0.00 57.85 56.85 1rm1 n ARG 107 Cb 0.62 -1.73 -0.16 0.00 -1.02 0.00 0.00 32.46 30.17 1rm1 n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rm1 s GLU 108 N -2.95 0.35 0.29 5.56 0.41 -1.26 -1.42 118.70 119.68 1rm1 s GLU 108 Ca -0.04 -0.54 -0.25 0.00 -0.41 0.00 0.00 54.97 53.73 1rm1 s GLU 108 Cb 0.09 -1.62 -0.09 0.00 -1.78 0.00 0.00 34.13 30.72 1rm1 s GLU 108 CO 0.82 -0.88 0.90 -1.25 -0.49 0.00 0.00 175.26 174.36 1rm1 s PRO 109 N 1.97 4.56 -0.71 0.39 0.04 -1.26 -4.88 135.00 135.11 1rm1 s PRO 109 Ca 0.06 1.26 -0.28 0.00 0.04 0.00 0.00 61.00 62.08 1rm1 s PRO 109 Cb -0.16 -2.90 -0.14 0.00 0.04 0.00 0.00 34.50 31.33 1rm1 s PRO 109 CO -0.24 0.35 2.54 1.17 0.04 0.00 0.00 177.00 180.85 1rm1 n LYS 110 N 0.77 0.59 -4.14 4.56 4.81 -0.51 -4.75 118.16 119.49 1rm1 n LYS 110 Ca 0.00 -0.02 -0.15 0.00 -0.87 0.00 0.00 58.31 57.28 1rm1 n LYS 110 Cb 0.50 -2.62 -0.06 0.00 0.02 0.00 0.00 35.03 32.87 1rm1 n LYS 110 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1rm1 s THR 111 N 10.83 0.00 -0.04 3.15 -4.23 -1.10 -4.39 115.64 119.88 1rm1 s THR 111 Ca 1.14 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1rm1 s THR 111 Cb -0.63 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 70.68 1rm1 s THR 111 CO 0.36 0.00 0.00 -0.89 -0.54 0.00 0.00 174.62 173.55 1rm1 s THR 112 N -3.37 0.19 -0.00 3.99 2.01 -0.35 -2.53 115.64 115.57 1rm1 s THR 112 Ca 0.33 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.47 1rm1 s THR 112 Cb 0.01 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1rm1 s THR 112 CO 0.20 0.16 -0.04 0.00 -0.69 0.00 0.00 174.62 174.25 1rm1 s ALA 113 N 1.21 3.13 -0.32 7.40 0.00 0.26 -1.00 121.76 132.44 1rm1 s ALA 113 Ca -0.07 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 1rm1 s ALA 113 Cb -0.13 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1rm1 s ALA 113 CO -0.02 0.63 0.09 -0.51 0.00 0.00 0.00 175.76 175.94 1rm1 s LEU 114 N -1.45 4.12 -0.18 0.00 1.43 0.74 -1.12 118.68 122.23 1rm1 s LEU 114 Ca 0.18 -1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 52.20 1rm1 s LEU 114 Cb -0.11 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1rm1 s LEU 114 CO 0.08 -0.28 0.05 -0.63 0.23 0.00 0.00 176.35 175.81 1rm1 s ILE 115 N 1.42 4.66 0.32 -0.59 1.01 0.39 -1.17 121.20 127.25 1rm1 s ILE 115 Ca -0.00 -0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1rm1 s ILE 115 Cb -0.19 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 1rm1 s ILE 115 CO 0.02 0.45 0.31 -0.36 0.00 0.00 0.00 174.94 175.37 1rm1 s PHE 116 N 0.46 2.99 0.42 3.97 0.40 -0.29 -0.72 117.98 125.22 1rm1 s PHE 116 Ca 0.02 -0.25 0.20 0.00 -0.60 0.00 0.00 56.93 56.30 1rm1 s PHE 116 Cb -0.13 -1.77 1.17 0.00 0.51 0.00 0.00 43.02 42.81 1rm1 s PHE 116 CO 0.01 0.21 2.01 0.00 0.70 0.00 0.00 175.22 178.14 1rm1 h ALA 117 N 1.22 1.46 0.00 5.36 0.00 -1.81 -1.76 119.26 123.73 1rm1 h ALA 117 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1rm1 h ALA 117 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1rm1 h ALA 117 CO 0.58 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.92 1rm1 n SER 118 N -3.97 0.08 0.00 0.00 3.41 -1.26 0.65 113.62 112.53 1rm1 n SER 118 Ca -0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1rm1 n SER 118 Cb 0.26 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1rm1 n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rm1 n GLY 119 N 0.16 0.67 3.90 5.00 0.00 -0.66 -4.32 105.19 109.94 1rm1 n GLY 119 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1rm1 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rm1 s LYS 120 N -0.70 3.58 0.13 1.61 1.02 -1.26 -0.72 119.74 123.39 1rm1 s LYS 120 Ca 0.00 -0.14 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 1rm1 s LYS 120 Cb 0.00 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1rm1 s LYS 120 CO 0.00 0.57 0.10 0.00 -0.92 0.00 0.00 175.35 175.10 1rm1 s MET 121 N -2.26 0.93 -0.10 1.68 0.23 0.09 -1.13 119.30 118.75 1rm1 s MET 121 Ca 0.34 -1.34 0.03 0.00 -1.03 0.00 0.00 55.69 53.69 1rm1 s MET 121 Cb -0.13 0.27 0.01 0.00 -1.53 0.00 0.00 34.83 33.45 1rm1 s MET 121 CO 0.22 -0.28 -0.20 0.08 -2.03 0.00 0.00 175.02 172.81 1rm1 s VAL 122 N -4.01 1.79 -0.16 5.16 1.01 -0.32 -1.09 120.40 122.78 1rm1 s VAL 122 Ca 0.20 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1rm1 s VAL 122 Cb 0.07 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1rm1 s VAL 122 CO -0.00 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 1rm1 s VAL 123 N 0.53 3.33 0.24 2.92 1.01 0.92 -0.18 120.40 129.16 1rm1 s VAL 123 Ca -0.15 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1rm1 s VAL 123 Cb -0.17 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1rm1 s VAL 123 CO 0.05 0.49 -0.09 0.42 0.00 0.00 0.00 175.10 175.97 1rm1 s THR 124 N 0.69 1.61 0.00 3.92 -4.23 -0.17 -1.04 115.64 116.41 1rm1 s THR 124 Ca -0.04 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.31 1rm1 s THR 124 Cb -0.15 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1rm1 s THR 124 CO 0.02 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1rm1 n GLY 125 N -0.46 1.66 3.76 3.99 0.00 -1.23 -1.22 105.19 111.70 1rm1 n GLY 125 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1rm1 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm1 s ALA 126 N -2.34 3.10 -1.99 4.61 0.00 -1.24 -4.67 121.76 119.24 1rm1 s ALA 126 Ca 0.00 1.17 0.17 0.00 0.00 0.00 0.00 51.96 53.30 1rm1 s ALA 126 Cb 0.00 -3.47 0.21 0.00 0.00 0.00 0.00 23.12 19.86 1rm1 s ALA 126 CO 0.00 -0.88 1.12 1.63 0.00 0.00 0.00 175.76 177.64 1rm1 n LYS 127 N -0.24 1.70 -3.66 0.00 5.02 -1.26 0.61 118.16 120.33 1rm1 n LYS 127 Ca 0.06 -1.71 -0.10 0.00 -2.02 0.00 0.00 58.31 54.53 1rm1 n LYS 127 Cb 0.45 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 1rm1 n LYS 127 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1rm1 s SER 128 N -1.34 -0.20 0.23 4.39 1.04 -1.26 -4.72 113.70 111.85 1rm1 s SER 128 Ca 0.24 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.28 1rm1 s SER 128 Cb 0.15 0.45 0.22 0.00 0.10 0.00 0.00 66.02 66.95 1rm1 s SER 128 CO 0.22 -0.82 1.83 -0.33 0.98 0.00 0.00 173.24 175.13 1rm1 h GLU 129 N 2.47 1.20 -0.34 4.02 3.07 -2.00 -2.17 114.58 120.84 1rm1 h GLU 129 Ca -0.34 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.31 1rm1 h GLU 129 Cb 1.24 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1rm1 h GLU 129 CO 0.48 0.92 0.04 -0.44 -1.40 0.00 0.00 179.01 178.61 1rm1 h ASP 130 N 1.19 0.54 -0.18 1.42 3.32 -1.99 -2.18 116.42 118.54 1rm1 h ASP 130 Ca 0.29 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1rm1 h ASP 130 Cb 0.10 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1rm1 h ASP 130 CO -0.04 0.68 0.01 0.44 -1.72 0.00 0.00 179.24 178.61 1rm1 h ASP 131 N 0.39 0.39 -0.11 6.45 3.45 -1.93 0.74 116.42 125.80 1rm1 h ASP 131 Ca 0.10 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1rm1 h ASP 131 Cb 0.37 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1rm1 h ASP 131 CO 0.01 0.45 -0.02 -1.28 -1.57 0.00 0.00 179.24 176.83 1rm1 h SER 132 N 0.41 0.21 -0.34 6.45 0.87 -1.18 0.19 113.55 120.16 1rm1 h SER 132 Ca 0.09 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.24 1rm1 h SER 132 Cb 0.26 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1rm1 h SER 132 CO 0.01 0.51 0.00 0.50 -0.53 0.00 0.00 176.83 177.32 1rm1 h LYS 133 N -0.11 0.60 -0.20 2.24 3.64 -1.18 -1.20 116.57 120.36 1rm1 h LYS 133 Ca 0.03 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1rm1 h LYS 133 Cb 0.42 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1rm1 h LYS 133 CO 0.01 0.72 0.13 1.25 -2.27 0.00 0.00 179.45 179.29 1rm1 h LEU 134 N 0.41 0.23 -0.47 5.20 5.85 -0.80 -0.91 115.31 124.82 1rm1 h LEU 134 Ca 0.10 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1rm1 h LEU 134 Cb 0.45 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1rm1 h LEU 134 CO 0.02 0.16 0.23 0.00 -0.34 0.00 0.00 178.44 178.51 1rm1 h ALA 135 N 1.08 0.60 -1.00 1.25 0.00 -0.57 -2.36 119.26 118.26 1rm1 h ALA 135 Ca 0.07 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1rm1 h ALA 135 Cb -0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.50 1rm1 h ALA 135 CO -0.02 0.16 0.63 0.77 0.00 0.00 0.00 179.25 180.79 1rm1 h SER 136 N 0.61 0.94 -0.11 0.00 0.02 -0.84 -0.92 113.55 113.25 1rm1 h SER 136 Ca 0.16 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1rm1 h SER 136 Cb 0.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1rm1 h SER 136 CO -0.02 0.52 -0.20 0.03 -1.14 0.00 0.00 176.83 176.03 1rm1 h ARG 137 N 1.03 0.51 -0.43 3.45 3.08 -0.68 -2.33 114.38 119.00 1rm1 h ARG 137 Ca 0.48 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 60.23 1rm1 h ARG 137 Cb 0.43 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1rm1 h ARG 137 CO -0.24 0.69 -0.22 0.87 -1.07 0.00 0.00 179.97 179.99 1rm1 h LYS 138 N 0.46 0.92 -0.32 0.04 1.57 -0.70 -0.92 116.57 117.62 1rm1 h LYS 138 Ca 0.08 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1rm1 h LYS 138 Cb 0.60 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1rm1 h LYS 138 CO 0.04 1.06 0.12 1.88 -0.57 0.00 0.00 179.45 181.99 1rm1 h TYR 139 N 0.75 0.49 -0.95 -1.35 -1.99 -1.25 -0.74 116.97 111.92 1rm1 h TYR 139 Ca 0.10 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1rm1 h TYR 139 Cb 0.79 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 39.33 1rm1 h TYR 139 CO 0.06 0.47 0.61 0.00 -0.00 0.00 0.00 178.16 179.29 1rm1 h ALA 140 N 0.97 1.21 -0.11 3.88 0.00 -1.34 -1.19 119.26 122.67 1rm1 h ALA 140 Ca 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1rm1 h ALA 140 Cb 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1rm1 h ALA 140 CO -0.01 0.63 -0.15 -0.09 0.00 0.00 0.00 179.25 179.63 1rm1 h ARG 141 N 1.30 0.17 -0.10 0.00 1.12 -0.69 -1.38 114.38 114.82 1rm1 h ARG 141 Ca 0.35 -0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 59.05 1rm1 h ARG 141 Cb -0.11 -0.02 0.01 0.00 -0.01 0.00 0.00 29.97 29.83 1rm1 h ARG 141 CO -0.07 0.33 -0.42 0.82 -3.11 0.00 0.00 179.97 177.51 1rm1 h ILE 142 N 0.17 1.38 -0.82 1.20 2.04 -0.01 -0.87 117.51 120.59 1rm1 h ILE 142 Ca 0.03 -1.77 0.08 0.00 1.00 0.00 0.00 64.86 64.20 1rm1 h ILE 142 Cb 0.37 2.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.60 1rm1 h ILE 142 CO 0.02 0.52 0.49 0.40 0.00 0.00 0.00 178.15 179.59 1rm1 h ILE 143 N 0.03 0.97 0.41 -0.67 1.08 -0.95 -0.10 117.51 118.29 1rm1 h ILE 143 Ca -0.03 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1rm1 h ILE 143 Cb 1.07 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1rm1 h ILE 143 CO 0.09 0.16 -0.20 1.56 -0.69 0.00 0.00 178.15 179.07 1rm1 h GLN 144 N 0.86 -0.54 -0.03 2.37 4.20 -1.20 -2.71 115.11 118.07 1rm1 h GLN 144 Ca 0.38 0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.13 1rm1 h GLN 144 Cb 0.26 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1rm1 h GLN 144 CO -0.21 -0.25 0.40 -0.22 -0.67 0.00 0.00 178.83 177.89 1rm1 h LYS 145 N -0.79 0.00 0.02 1.46 1.63 -0.54 0.74 116.57 119.08 1rm1 h LYS 145 Ca -0.06 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.49 1rm1 h LYS 145 Cb 0.54 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 1rm1 h LYS 145 CO 0.09 0.00 -1.30 0.82 -3.45 0.00 0.00 179.45 175.61 1rm1 h ILE 146 N 0.00 1.36 0.00 2.00 2.04 -0.73 -3.48 117.51 118.70 1rm1 h ILE 146 Ca 0.01 -3.11 0.00 0.00 1.00 0.00 0.00 64.86 62.77 1rm1 h ILE 146 Cb 0.81 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1rm1 h ILE 146 CO -0.00 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.55 1rm1 n GLY 147 N 1.46 0.68 3.51 5.37 0.00 0.26 -5.11 105.19 111.36 1rm1 n GLY 147 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1rm1 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rm1 s PHE 148 N -0.68 2.48 -0.07 1.61 0.40 -1.08 -5.01 117.98 115.64 1rm1 s PHE 148 Ca 0.00 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1rm1 s PHE 148 Cb 0.00 -1.20 -0.06 0.00 0.51 0.00 0.00 43.02 42.27 1rm1 s PHE 148 CO 0.00 0.53 2.57 0.00 0.70 0.00 0.00 175.22 179.01 1rm1 n ALA 149 N 0.03 5.04 -1.77 5.36 0.00 -1.26 -4.28 120.51 123.63 1rm1 n ALA 149 Ca -0.11 -0.97 -0.38 0.00 0.00 0.00 0.00 53.44 51.99 1rm1 n ALA 149 Cb 0.56 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 1rm1 n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rm1 s ALA 150 N -0.01 3.11 0.03 0.00 0.00 -1.26 -4.69 121.76 118.95 1rm1 s ALA 150 Ca 0.29 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.21 1rm1 s ALA 150 Cb 0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1rm1 s ALA 150 CO -0.01 -0.54 -0.06 0.15 0.00 0.00 0.00 175.76 175.29 1rm1 s LYS 151 N -2.40 0.45 -0.62 0.00 3.01 0.62 -4.84 119.74 115.95 1rm1 s LYS 151 Ca 0.59 -0.72 -0.25 0.00 -1.01 0.00 0.00 55.97 54.57 1rm1 s LYS 151 Cb -0.30 -0.12 0.04 0.00 -1.01 0.00 0.00 37.83 36.44 1rm1 s LYS 151 CO 0.37 0.01 1.07 0.12 0.51 0.00 0.00 175.35 177.42 1rm1 s PHE 152 N -1.51 2.62 0.37 3.18 5.36 -1.26 -3.80 117.98 122.94 1rm1 s PHE 152 Ca -0.12 -0.08 0.04 0.00 -0.96 0.00 0.00 56.93 55.81 1rm1 s PHE 152 Cb -0.09 -4.33 -0.06 0.00 -0.34 0.00 0.00 43.02 38.20 1rm1 s PHE 152 CO -0.00 -1.63 0.05 0.99 -1.46 0.00 0.00 175.22 173.17 1rm1 s THR 153 N 4.55 1.27 -0.67 0.12 2.01 -0.80 -4.89 115.64 117.22 1rm1 s THR 153 Ca 0.31 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.23 1rm1 s THR 153 Cb -0.12 -2.73 0.09 0.00 0.01 0.00 0.00 72.50 69.75 1rm1 s THR 153 CO 0.17 0.00 0.21 0.47 -0.69 0.00 0.00 174.62 174.78 1rm1 n ASP 154 N -0.87 -0.72 -4.68 3.53 8.00 -1.26 -2.69 116.55 117.86 1rm1 n ASP 154 Ca -0.05 -0.41 -0.45 0.00 0.71 0.00 0.00 54.79 54.59 1rm1 n ASP 154 Cb 0.66 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 1rm1 n ASP 154 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1rm1 n PHE 155 N -1.86 2.34 -3.66 1.24 7.35 -1.26 -4.53 117.46 117.08 1rm1 n PHE 155 Ca 0.04 0.28 -0.07 0.00 -0.76 0.00 0.00 57.45 56.95 1rm1 n PHE 155 Cb 0.20 -2.54 -0.08 0.00 0.35 0.00 0.00 39.48 37.41 1rm1 n PHE 155 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1rm1 s LYS 156 N 0.58 0.51 0.03 -4.13 2.47 -0.87 -5.00 119.74 113.33 1rm1 s LYS 156 Ca 0.75 1.14 -0.30 0.00 -1.56 0.00 0.00 55.97 56.00 1rm1 s LYS 156 Cb -0.64 0.35 -0.04 0.00 -1.46 0.00 0.00 37.83 36.03 1rm1 s LYS 156 CO 0.40 -0.19 1.08 0.42 0.16 0.00 0.00 175.35 177.22 1rm1 s ILE 157 N 2.16 4.47 -0.07 5.43 1.01 -1.26 -1.28 121.20 131.66 1rm1 s ILE 157 Ca -0.07 1.79 0.14 0.00 0.00 0.00 0.00 60.65 62.52 1rm1 s ILE 157 Cb -0.09 -4.15 -0.22 0.00 0.01 0.00 0.00 42.46 38.01 1rm1 s ILE 157 CO -0.16 0.15 0.34 0.00 0.00 0.00 0.00 174.94 175.26 1rm1 n GLN 158 N 3.83 0.60 -3.63 2.79 1.13 0.21 -4.93 117.38 117.38 1rm1 n GLN 158 Ca 0.07 -0.12 -0.11 0.00 -1.94 0.00 0.00 57.00 54.90 1rm1 n GLN 158 Cb 0.49 -1.32 -0.07 0.00 0.11 0.00 0.00 30.24 29.45 1rm1 n GLN 158 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1rm1 s ASN 159 N -3.53 -0.65 -0.06 1.08 2.47 -1.06 -4.78 114.94 108.42 1rm1 s ASN 159 Ca -0.04 1.22 0.03 0.00 0.42 0.00 0.00 52.86 54.49 1rm1 s ASN 159 Cb 0.09 1.25 0.01 0.00 -1.45 0.00 0.00 41.25 41.15 1rm1 s ASN 159 CO 0.59 -0.21 -0.13 -0.63 -3.72 0.00 0.00 177.10 173.00 1rm1 s ILE 160 N 0.51 1.16 -0.04 -5.21 1.01 0.59 -0.82 121.20 118.41 1rm1 s ILE 160 Ca -0.00 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.18 1rm1 s ILE 160 Cb -0.05 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1rm1 s ILE 160 CO -0.05 0.36 -0.21 -0.69 0.00 0.00 0.00 174.94 174.35 1rm1 s VAL 161 N 0.46 2.51 0.04 2.92 1.01 -0.23 -3.44 120.40 123.67 1rm1 s VAL 161 Ca -0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1rm1 s VAL 161 Cb -0.14 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1rm1 s VAL 161 CO 0.03 0.58 -0.02 -0.83 0.00 0.00 0.00 175.10 174.87 1rm1 s GLY 162 N -0.64 0.38 0.14 4.51 0.00 0.84 -0.39 107.32 112.17 1rm1 s GLY 162 Ca 0.10 -0.98 0.05 0.00 0.00 0.00 0.00 44.72 43.89 1rm1 s GLY 162 CO -0.00 -1.08 -0.11 -1.35 0.00 0.00 0.00 173.10 170.56 1rm1 s SER 163 N -2.46 1.83 0.30 1.64 1.04 -0.44 0.16 113.70 115.77 1rm1 s SER 163 Ca -0.00 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.50 1rm1 s SER 163 Cb 0.02 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 1rm1 s SER 163 CO -0.07 -0.29 0.27 0.00 0.98 0.00 0.00 173.24 174.13 1rm1 s ASP 165 N -3.30 0.17 0.00 0.00 -1.08 -1.26 -1.42 116.67 109.79 1rm1 s ASP 165 Ca 0.39 -0.01 0.31 0.00 -0.52 0.00 0.00 52.55 52.71 1rm1 s ASP 165 Cb 0.03 1.20 1.70 0.00 -1.46 0.00 0.00 42.92 44.39 1rm1 s ASP 165 CO 0.22 -0.32 2.13 1.33 0.52 0.00 0.00 175.17 179.05 1rm1 n VAL 166 N 5.36 0.00 0.00 1.11 0.24 -0.62 -4.92 118.33 119.50 1rm1 n VAL 166 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1rm1 n VAL 166 Cb 0.50 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1rm1 n VAL 166 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rm1 n LYS 167 N -1.09 0.00 -4.31 7.34 4.01 -1.26 -4.99 118.16 117.86 1rm1 n LYS 167 Ca 0.19 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.76 1rm1 n LYS 167 Cb 0.18 -1.55 -0.08 0.00 -0.51 0.00 0.00 35.03 33.07 1rm1 n LYS 167 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 1rm1 s PHE 168 N -1.06 2.66 0.81 2.13 -0.12 -1.26 -4.99 117.98 116.15 1rm1 s PHE 168 Ca 0.00 -0.23 -0.11 0.00 -0.05 0.00 0.00 56.93 56.54 1rm1 s PHE 168 Cb 0.00 -1.20 0.08 0.00 -0.63 0.00 0.00 43.02 41.27 1rm1 s PHE 168 CO 0.00 0.61 1.09 -2.14 -0.05 0.00 0.00 175.22 174.72 1rm1 s PRO 169 N -3.48 1.96 -0.04 1.99 0.02 -1.26 -3.32 135.00 130.87 1rm1 s PRO 169 Ca 0.30 0.95 0.01 0.00 0.02 0.00 0.00 61.00 62.28 1rm1 s PRO 169 Cb -0.07 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.60 1rm1 s PRO 169 CO 0.19 -1.79 -0.01 0.42 -0.33 0.00 0.00 177.00 175.47 1rm1 s ILE 170 N -2.96 0.30 -0.96 2.83 1.01 -0.12 -2.18 121.20 119.12 1rm1 s ILE 170 Ca 0.62 0.02 -0.23 0.00 0.00 0.00 0.00 60.65 61.06 1rm1 s ILE 170 Cb -0.17 -0.38 0.06 0.00 0.01 0.00 0.00 42.46 41.99 1rm1 s ILE 170 CO 0.56 0.18 1.35 -0.60 0.00 0.00 0.00 174.94 176.43 1rm1 s ARG 171 N 1.02 3.53 0.17 2.79 3.52 -0.08 -4.52 118.95 125.39 1rm1 s ARG 171 Ca -0.10 -1.14 -0.15 0.00 -0.13 0.00 0.00 55.73 54.22 1rm1 s ARG 171 Cb -0.14 -5.12 0.05 0.00 -1.56 0.00 0.00 34.95 28.19 1rm1 s ARG 171 CO -0.01 -2.11 1.83 -0.07 -0.81 0.00 0.00 175.30 174.13 1rm1 h LEU 172 N 12.32 0.57 -2.10 -0.88 3.38 -1.94 -2.90 115.31 123.75 1rm1 h LEU 172 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1rm1 h LEU 172 Cb 1.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1rm1 h LEU 172 CO 1.34 0.41 -0.08 1.05 0.09 0.00 0.00 178.44 181.26 1rm1 h GLU 173 N 0.67 0.00 0.05 1.13 9.09 -1.99 0.12 114.58 123.66 1rm1 h GLU 173 Ca 0.18 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.34 1rm1 h GLU 173 Cb -0.08 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.03 1rm1 h GLU 173 CO -0.04 0.08 -1.07 0.78 0.05 0.00 0.00 179.01 178.80 1rm1 h GLY 174 N 0.70 0.47 1.38 1.06 0.00 -1.93 -2.28 103.07 102.47 1rm1 h GLY 174 Ca -0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 47.33 46.26 1rm1 h GLY 174 CO 0.01 0.82 -0.40 -2.00 0.00 0.00 0.00 176.54 174.97 1rm1 h LEU 175 N 0.20 0.72 -0.15 3.11 6.46 -0.98 -2.01 115.31 122.66 1rm1 h LEU 175 Ca -0.11 -0.33 -0.05 0.00 -0.12 0.00 0.00 57.88 57.27 1rm1 h LEU 175 Cb 1.74 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.46 1rm1 h LEU 175 CO 0.19 1.04 -0.09 0.00 -0.62 0.00 0.00 178.44 178.96 1rm1 h ALA 176 N 1.00 0.22 -0.25 1.25 0.00 -0.85 -1.33 119.26 119.29 1rm1 h ALA 176 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1rm1 h ALA 176 Cb 0.93 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1rm1 h ALA 176 CO 0.08 0.03 0.01 0.74 0.00 0.00 0.00 179.25 180.12 1rm1 h PHE 177 N -0.01 0.37 -0.07 0.00 0.04 -1.38 -1.82 116.94 114.08 1rm1 h PHE 177 Ca 0.03 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 1rm1 h PHE 177 Cb 0.57 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.61 1rm1 h PHE 177 CO 0.07 0.37 -0.36 1.03 -0.60 0.00 0.00 178.31 178.81 1rm1 h SER 178 N 0.36 0.44 -2.13 2.17 0.87 -1.26 -3.34 113.55 110.66 1rm1 h SER 178 Ca 0.08 -0.66 -0.68 0.00 -1.23 0.00 0.00 61.79 59.30 1rm1 h SER 178 Cb 0.22 -0.13 -0.35 0.00 -0.44 0.00 0.00 62.40 61.70 1rm1 h SER 178 CO 0.00 1.03 0.10 1.41 -0.53 0.00 0.00 176.83 178.84 1rm1 n HIS 179 N -4.38 3.42 0.02 2.24 8.25 -0.51 -4.88 115.22 119.38 1rm1 n HIS 179 Ca -0.08 -3.20 0.10 0.00 -0.26 0.00 0.00 57.72 54.28 1rm1 n HIS 179 Cb 0.53 -0.74 0.54 0.00 1.12 0.00 0.00 29.99 31.43 1rm1 n HIS 179 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1rm1 h GLY 180 N 3.32 0.38 2.00 -1.41 0.00 -1.46 -1.55 103.07 104.35 1rm1 h GLY 180 Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1rm1 h GLY 180 CO 1.02 0.09 0.00 -1.30 0.00 0.00 0.00 176.54 176.35 1rm1 n THR 181 N -4.47 0.71 -0.01 4.70 -2.24 -1.26 -3.84 114.28 107.86 1rm1 n THR 181 Ca 0.05 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1rm1 n THR 181 Cb 0.26 -0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 67.56 1rm1 n THR 181 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1rm1 n PHE 182 N -2.21 0.00 -4.73 4.78 3.72 -0.92 -4.98 117.46 113.12 1rm1 n PHE 182 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1rm1 n PHE 182 Cb 0.32 -0.17 -0.12 0.00 -0.94 0.00 0.00 39.48 38.57 1rm1 n PHE 182 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1rm1 s SER 183 N -3.00 4.14 -0.20 4.37 1.04 -0.63 -0.01 113.70 119.40 1rm1 s SER 183 Ca -0.02 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.20 1rm1 s SER 183 Cb 0.03 -0.86 0.04 0.00 0.10 0.00 0.00 66.02 65.32 1rm1 s SER 183 CO 0.21 0.31 -0.12 -0.94 0.98 0.00 0.00 173.24 173.69 1rm1 s SER 184 N -1.04 3.47 -0.10 7.02 1.04 -0.44 -4.72 113.70 118.93 1rm1 s SER 184 Ca 0.13 -0.91 -0.00 0.00 0.48 0.00 0.00 55.95 55.65 1rm1 s SER 184 Cb -0.11 -1.30 0.02 0.00 0.10 0.00 0.00 66.02 64.74 1rm1 s SER 184 CO 0.03 -0.13 -0.07 -0.47 0.98 0.00 0.00 173.24 173.58 1rm1 s TYR 185 N 1.35 1.34 -0.46 5.02 5.04 -1.26 -1.85 117.35 126.54 1rm1 s TYR 185 Ca -0.01 -0.62 0.06 0.00 -2.44 0.00 0.00 57.07 54.06 1rm1 s TYR 185 Cb -0.16 -1.14 0.18 0.00 0.35 0.00 0.00 41.96 41.19 1rm1 s TYR 185 CO -0.08 -0.45 0.60 -1.83 -1.34 0.00 0.00 175.55 172.45 1rm1 s GLU 186 N 1.60 0.93 0.57 4.97 -1.05 -1.26 -5.02 118.70 119.45 1rm1 s GLU 186 Ca 0.02 -1.00 0.39 0.00 -0.15 0.00 0.00 54.97 54.23 1rm1 s GLU 186 Cb -0.13 -0.30 1.45 0.00 -0.44 0.00 0.00 34.13 34.71 1rm1 s GLU 186 CO -0.06 -1.29 1.58 -1.00 0.95 0.00 0.00 175.26 175.44 1rm1 h PRO 187 N 5.84 0.00 -0.28 -4.83 0.13 -1.87 0.18 132.00 131.17 1rm1 h PRO 187 Ca 0.09 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.27 1rm1 h PRO 187 Cb 1.09 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 1rm1 h PRO 187 CO 0.11 0.00 -0.01 1.05 -0.23 0.00 0.00 178.00 178.92 1rm1 h GLU 188 N 0.00 0.07 0.22 0.86 4.11 -1.97 -3.25 114.58 114.62 1rm1 h GLU 188 Ca 0.67 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 60.08 1rm1 h GLU 188 Cb 2.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 32.22 1rm1 h GLU 188 CO -0.01 0.05 -0.11 -0.07 0.07 0.00 0.00 179.01 178.94 1rm1 h LEU 189 N 0.07 -0.25 -7.52 3.06 -0.00 -1.08 -3.47 115.31 106.12 1rm1 h LEU 189 Ca 0.14 0.01 -0.26 0.00 -0.00 0.00 0.00 57.88 57.77 1rm1 h LEU 189 Cb 0.18 0.06 -0.32 0.00 -0.00 0.00 0.00 40.66 40.59 1rm1 h LEU 189 CO -0.24 0.21 -0.66 0.12 -0.00 0.00 0.00 178.44 177.88 1rm1 s PHE 190 N -2.51 -0.07 0.55 1.13 2.19 -1.03 -5.05 117.98 113.19 1rm1 s PHE 190 Ca -0.04 0.27 0.24 0.00 0.33 0.00 0.00 56.93 57.73 1rm1 s PHE 190 Cb 0.00 -0.12 1.49 0.00 -1.31 0.00 0.00 43.02 43.09 1rm1 s PHE 190 CO 0.13 -0.11 2.11 -1.00 1.83 0.00 0.00 175.22 178.19 1rm1 h PRO 191 N 6.98 0.00 -6.61 10.12 0.13 -1.84 -3.24 132.00 137.53 1rm1 h PRO 191 Ca -0.40 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.24 1rm1 h PRO 191 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1rm1 h PRO 191 CO 0.46 0.00 -0.10 0.20 -0.23 0.00 0.00 178.00 178.33 1rm1 s GLY 192 N -4.04 1.56 -0.09 1.56 0.00 -1.26 -4.76 107.32 100.29 1rm1 s GLY 192 Ca -0.05 -0.68 -0.16 0.00 0.00 0.00 0.00 44.72 43.83 1rm1 s GLY 192 CO 0.63 -0.58 0.41 -2.27 0.00 0.00 0.00 173.10 171.29 1rm1 s LEU 193 N -4.14 4.33 -0.44 0.66 0.20 0.14 -4.71 118.68 114.73 1rm1 s LEU 193 Ca 0.43 0.79 -0.17 0.00 0.69 0.00 0.00 54.13 55.87 1rm1 s LEU 193 Cb -0.10 -2.58 0.03 0.00 -0.43 0.00 0.00 46.19 43.11 1rm1 s LEU 193 CO 0.36 0.13 0.45 -0.63 -0.29 0.00 0.00 176.35 176.36 1rm1 s ILE 194 N 0.04 5.09 -0.29 6.68 1.01 -0.77 -0.26 121.20 132.69 1rm1 s ILE 194 Ca 0.23 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 1rm1 s ILE 194 Cb -0.15 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1rm1 s ILE 194 CO 0.10 -0.50 0.13 -0.47 0.00 0.00 0.00 174.94 174.21 1rm1 s TYR 195 N 2.10 3.16 -0.81 3.97 5.04 0.07 -1.33 117.35 129.56 1rm1 s TYR 195 Ca 0.11 -0.49 -0.15 0.00 -2.44 0.00 0.00 57.07 54.09 1rm1 s TYR 195 Cb -0.19 -2.33 0.19 0.00 0.35 0.00 0.00 41.96 39.99 1rm1 s TYR 195 CO 0.12 -0.41 0.81 1.03 -1.34 0.00 0.00 175.55 175.76 1rm1 s ARG 196 N 1.62 3.52 0.33 4.97 0.52 0.98 -0.38 118.95 130.52 1rm1 s ARG 196 Ca 0.05 -2.20 -0.28 0.00 -0.52 0.00 0.00 55.73 52.78 1rm1 s ARG 196 Cb -0.16 -4.50 -0.09 0.00 0.52 0.00 0.00 34.95 30.71 1rm1 s ARG 196 CO 0.06 -1.40 1.18 1.41 0.02 0.00 0.00 175.30 176.57 1rm1 s MET 197 N 0.91 4.38 -0.16 3.54 1.75 -0.63 -4.81 119.30 124.28 1rm1 s MET 197 Ca 0.19 1.93 -0.24 0.00 -1.25 0.00 0.00 55.69 56.32 1rm1 s MET 197 Cb -0.12 -3.00 -0.24 0.00 2.84 0.00 0.00 34.83 34.32 1rm1 s MET 197 CO -0.07 -0.06 0.53 0.28 -0.65 0.00 0.00 175.02 175.05 1rm1 h VAL 198 N 2.84 1.33 -3.17 10.11 2.07 -1.96 -3.11 116.25 124.36 1rm1 h VAL 198 Ca -0.48 -2.30 -0.51 0.00 0.82 0.00 0.00 66.70 64.23 1rm1 h VAL 198 Cb 1.22 2.83 -0.40 0.00 -1.52 0.00 0.00 31.29 33.42 1rm1 h VAL 198 CO 0.65 0.51 -0.76 -0.75 0.02 0.00 0.00 177.57 177.24 1rm1 s LYS 199 N -2.32 0.47 0.97 1.57 2.20 -1.26 -2.78 119.74 118.58 1rm1 s LYS 199 Ca -0.23 -0.39 -0.13 0.00 -0.36 0.00 0.00 55.97 54.86 1rm1 s LYS 199 Cb 0.02 -1.96 0.17 0.00 -1.51 0.00 0.00 37.83 34.55 1rm1 s LYS 199 CO 0.67 -0.71 1.13 -1.25 -0.36 0.00 0.00 175.35 174.84 1rm1 s PRO 200 N 1.93 0.69 -0.95 4.03 0.04 -1.26 -4.95 135.00 134.53 1rm1 s PRO 200 Ca 0.01 0.28 -0.21 0.00 0.04 0.00 0.00 61.00 61.13 1rm1 s PRO 200 Cb -0.17 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.68 1rm1 s PRO 200 CO -0.12 -2.50 1.26 0.21 0.04 0.00 0.00 177.00 175.88 1rm1 s LYS 201 N -5.23 3.55 -0.01 4.56 2.20 -1.12 -4.66 119.74 119.04 1rm1 s LYS 201 Ca 0.65 -1.40 0.02 0.00 -0.36 0.00 0.00 55.97 54.89 1rm1 s LYS 201 Cb -0.15 -5.04 -0.00 0.00 -1.51 0.00 0.00 37.83 31.13 1rm1 s LYS 201 CO 0.55 -1.97 -0.06 0.42 -0.36 0.00 0.00 175.35 173.93 1rm1 s ILE 202 N 3.80 0.52 -0.17 5.43 -1.09 -1.18 -4.58 121.20 123.93 1rm1 s ILE 202 Ca 0.38 -0.26 -0.10 0.00 -2.23 0.00 0.00 60.65 58.44 1rm1 s ILE 202 Cb -0.04 -0.45 -0.05 0.00 -1.58 0.00 0.00 42.46 40.34 1rm1 s ILE 202 CO -0.08 0.16 0.15 -0.69 -1.23 0.00 0.00 174.94 173.25 1rm1 s VAL 203 N -0.03 5.42 0.09 2.92 1.01 0.14 -1.61 120.40 128.34 1rm1 s VAL 203 Ca 0.01 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1rm1 s VAL 203 Cb -0.04 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1rm1 s VAL 203 CO -0.00 0.48 -0.16 -0.76 0.00 0.00 0.00 175.10 174.66 1rm1 s LEU 204 N -0.00 2.75 -0.28 3.92 1.02 0.49 -0.97 118.68 125.61 1rm1 s LEU 204 Ca 0.11 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.81 1rm1 s LEU 204 Cb -0.11 -1.60 0.07 0.00 0.02 0.00 0.00 46.19 44.57 1rm1 s LEU 204 CO 0.00 0.20 -0.06 -0.76 0.02 0.00 0.00 176.35 175.75 1rm1 s LEU 205 N -1.96 3.83 -0.22 1.79 1.43 0.45 -0.75 118.68 123.25 1rm1 s LEU 205 Ca 0.18 -1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 51.56 1rm1 s LEU 205 Cb -0.11 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1rm1 s LEU 205 CO 0.10 -0.24 0.14 -0.63 0.23 0.00 0.00 176.35 175.94 1rm1 s ILE 206 N 1.04 5.31 0.23 -0.59 1.01 0.63 -1.70 121.20 127.14 1rm1 s ILE 206 Ca -0.03 0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.86 1rm1 s ILE 206 Cb -0.20 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1rm1 s ILE 206 CO -0.06 0.39 0.00 -0.36 0.00 0.00 0.00 174.94 174.91 1rm1 s PHE 207 N 0.78 2.76 0.53 3.97 0.08 -1.01 0.28 117.98 125.37 1rm1 s PHE 207 Ca 0.07 -0.19 0.20 0.00 0.12 0.00 0.00 56.93 57.13 1rm1 s PHE 207 Cb -0.13 -1.26 1.35 0.00 -0.57 0.00 0.00 43.02 42.41 1rm1 s PHE 207 CO 0.02 0.58 2.11 0.28 -0.10 0.00 0.00 175.22 178.10 1rm1 h VAL 208 N 2.08 0.87 0.00 -0.44 2.07 -1.86 -2.05 116.25 116.92 1rm1 h VAL 208 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1rm1 h VAL 208 Cb 1.23 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1rm1 h VAL 208 CO 0.59 0.00 0.00 0.77 0.02 0.00 0.00 177.57 178.95 1rm1 h SER 209 N 0.00 0.00 0.00 0.57 4.64 -1.88 -0.29 113.55 116.59 1rm1 h SER 209 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1rm1 h SER 209 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1rm1 h SER 209 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1rm1 n GLY 210 N 0.15 0.49 3.73 -0.77 0.00 -0.77 -4.30 105.19 103.71 1rm1 n GLY 210 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1rm1 n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rm1 s LYS 211 N -0.79 4.52 -0.05 1.61 3.01 -1.26 -1.59 119.74 125.19 1rm1 s LYS 211 Ca 0.00 1.78 0.04 0.00 -1.01 0.00 0.00 55.97 56.78 1rm1 s LYS 211 Cb 0.00 -3.28 -0.00 0.00 -1.01 0.00 0.00 37.83 33.54 1rm1 s LYS 211 CO 0.00 -0.05 -0.18 0.42 0.51 0.00 0.00 175.35 176.05 1rm1 s ILE 212 N 0.10 1.49 -0.13 2.17 -1.09 -0.50 -2.40 121.20 120.84 1rm1 s ILE 212 Ca 0.52 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1rm1 s ILE 212 Cb -0.30 -1.29 -0.01 0.00 -1.58 0.00 0.00 42.46 39.28 1rm1 s ILE 212 CO 0.34 0.43 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.64 1rm1 s VAL 213 N 0.18 2.79 -0.10 2.92 1.01 -0.69 0.08 120.40 126.59 1rm1 s VAL 213 Ca -0.08 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1rm1 s VAL 213 Cb -0.13 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1rm1 s VAL 213 CO 0.03 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.72 1rm1 s LEU 214 N 0.44 1.86 0.17 3.92 1.02 0.12 -0.41 118.68 125.80 1rm1 s LEU 214 Ca -0.11 -0.46 -0.07 0.00 0.02 0.00 0.00 54.13 53.51 1rm1 s LEU 214 Cb -0.16 -1.17 -0.02 0.00 0.02 0.00 0.00 46.19 44.86 1rm1 s LEU 214 CO 0.05 0.07 0.23 0.28 0.02 0.00 0.00 176.35 177.00 1rm1 s THR 215 N 0.73 0.06 0.00 5.49 -1.32 -0.15 -0.11 115.64 120.35 1rm1 s THR 215 Ca -0.11 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 1rm1 s THR 215 Cb -0.16 -1.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 1rm1 s THR 215 CO 0.02 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 1rm1 n GLY 216 N -0.21 0.60 3.84 6.08 0.00 -1.22 -0.69 105.19 113.59 1rm1 n GLY 216 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1rm1 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm1 s ALA 217 N -2.00 3.24 -0.05 4.61 0.00 -1.22 -4.84 121.76 121.50 1rm1 s ALA 217 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 51.96 52.20 1rm1 s ALA 217 Cb 0.00 -2.89 -0.13 0.00 0.00 0.00 0.00 23.12 20.10 1rm1 s ALA 217 CO 0.00 0.27 0.21 1.17 0.00 0.00 0.00 175.76 177.41 1rm1 n LYS 218 N -0.43 0.61 -5.04 0.00 3.00 -1.26 -0.30 118.16 114.73 1rm1 n LYS 218 Ca 0.04 -0.07 -0.27 0.00 -0.00 0.00 0.00 58.31 58.01 1rm1 n LYS 218 Cb 0.53 -1.18 -0.16 0.00 0.00 0.00 0.00 35.03 34.22 1rm1 n LYS 218 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1rm1 s GLN 219 N -2.54 1.73 0.62 1.64 -1.52 -1.26 -4.89 119.66 113.44 1rm1 s GLN 219 Ca -0.03 -0.76 0.41 0.00 -1.95 0.00 0.00 55.36 53.03 1rm1 s GLN 219 Cb 0.06 -1.66 2.03 0.00 -0.22 0.00 0.00 33.01 33.21 1rm1 s GLN 219 CO 0.37 0.45 2.23 0.07 -0.25 0.00 0.00 175.29 178.16 1rm1 h ARG 220 N 5.63 0.00 -0.25 2.91 0.11 -1.98 -2.26 114.38 118.54 1rm1 h ARG 220 Ca -0.39 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.63 1rm1 h ARG 220 Cb 1.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 1rm1 h ARG 220 CO 0.48 0.00 -0.11 1.49 0.10 0.00 0.00 179.97 181.93 1rm1 h GLU 221 N 0.00 0.40 -0.43 0.08 4.57 -2.00 -2.71 114.58 114.49 1rm1 h GLU 221 Ca -0.00 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1rm1 h GLU 221 Cb 0.20 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1rm1 h GLU 221 CO 0.00 0.52 0.10 0.93 -1.18 0.00 0.00 179.01 179.38 1rm1 h GLU 222 N 0.38 0.64 -0.25 1.92 5.08 -1.83 0.84 114.58 121.35 1rm1 h GLU 222 Ca 0.07 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1rm1 h GLU 222 Cb 0.43 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1rm1 h GLU 222 CO 0.02 0.59 0.07 0.82 -1.00 0.00 0.00 179.01 179.51 1rm1 h ILE 223 N 0.62 1.20 -0.14 3.13 1.08 -1.61 0.18 117.51 121.96 1rm1 h ILE 223 Ca 0.14 -0.64 -0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1rm1 h ILE 223 Cb 0.24 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1rm1 h ILE 223 CO -0.00 0.21 0.08 1.88 -0.69 0.00 0.00 178.15 179.62 1rm1 h TYR 224 N 0.24 0.18 -0.17 1.37 0.99 -1.32 -0.67 116.97 117.59 1rm1 h TYR 224 Ca 0.08 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.73 1rm1 h TYR 224 Cb 0.25 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 37.90 1rm1 h TYR 224 CO 0.01 0.18 -0.25 1.96 -0.00 0.00 0.00 178.16 180.05 1rm1 h GLN 225 N 0.14 0.30 -0.39 4.88 4.20 -0.74 -1.78 115.11 121.73 1rm1 h GLN 225 Ca 0.05 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1rm1 h GLN 225 Cb 0.05 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1rm1 h GLN 225 CO -0.01 0.54 -0.11 0.00 -0.67 0.00 0.00 178.83 178.57 1rm1 h ALA 226 N 1.47 0.54 -0.56 3.87 0.00 -0.31 -2.32 119.26 121.95 1rm1 h ALA 226 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1rm1 h ALA 226 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1rm1 h ALA 226 CO 0.04 0.42 0.03 0.35 0.00 0.00 0.00 179.25 180.09 1rm1 h PHE 227 N 0.57 1.05 -0.77 0.00 3.57 -0.84 -2.24 116.94 118.27 1rm1 h PHE 227 Ca 0.10 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1rm1 h PHE 227 Cb 0.64 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1rm1 h PHE 227 CO 0.05 0.94 0.39 0.93 -2.23 0.00 0.00 178.31 178.39 1rm1 h GLU 228 N 0.86 1.11 -0.74 1.11 4.39 -1.27 -1.18 114.58 118.85 1rm1 h GLU 228 Ca 0.16 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1rm1 h GLU 228 Cb 0.50 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1rm1 h GLU 228 CO 0.02 0.85 0.24 0.00 -1.16 0.00 0.00 179.01 178.96 1rm1 h ALA 229 N 1.20 0.97 0.00 3.43 0.00 -1.25 -3.13 119.26 120.48 1rm1 h ALA 229 Ca 0.27 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1rm1 h ALA 229 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1rm1 h ALA 229 CO -0.04 0.65 -0.35 0.97 0.00 0.00 0.00 179.25 180.49 1rm1 h ILE 230 N 1.10 0.37 -0.74 0.00 6.09 -1.15 -3.37 117.51 119.81 1rm1 h ILE 230 Ca 0.24 -1.53 0.12 0.00 -1.37 0.00 0.00 64.86 62.31 1rm1 h ILE 230 Cb 0.30 2.13 -0.08 0.00 0.47 0.00 0.00 36.82 39.64 1rm1 h ILE 230 CO -0.01 0.21 0.34 0.22 -3.07 0.00 0.00 178.15 175.84 1rm1 h TYR 231 N 0.00 0.59 -0.56 2.19 3.20 -1.16 -0.38 116.97 120.85 1rm1 h TYR 231 Ca -0.01 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1rm1 h TYR 231 Cb 1.18 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1rm1 h TYR 231 CO 0.00 0.15 0.34 -1.35 -1.64 0.00 0.00 178.16 175.66 1rm1 h PRO 232 N 0.53 0.66 -0.02 1.82 0.11 -1.75 0.13 132.00 133.47 1rm1 h PRO 232 Ca 0.38 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.32 1rm1 h PRO 232 Cb 0.50 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1rm1 h PRO 232 CO -0.33 0.44 -0.60 -0.24 -0.21 0.00 0.00 178.00 177.05 1rm1 h VAL 233 N 0.68 1.42 -0.16 3.15 3.04 -1.68 0.54 116.25 123.24 1rm1 h VAL 233 Ca 0.22 -2.03 -0.02 0.00 -1.01 0.00 0.00 66.70 63.86 1rm1 h VAL 233 Cb 0.01 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 1rm1 h VAL 233 CO -0.09 0.59 0.02 -0.07 -1.01 0.00 0.00 177.57 177.00 1rm1 h LEU 234 N 0.06 0.26 -0.67 3.16 4.07 -0.61 -2.46 115.31 119.12 1rm1 h LEU 234 Ca -0.01 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1rm1 h LEU 234 Cb 1.08 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.72 1rm1 h LEU 234 CO 0.08 0.47 0.42 -1.28 -1.08 0.00 0.00 178.44 177.06 1rm1 h SER 235 N 0.04 0.79 -0.18 -0.43 0.87 -0.56 -2.18 113.55 111.90 1rm1 h SER 235 Ca 0.05 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1rm1 h SER 235 Cb 0.33 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1rm1 h SER 235 CO 0.00 0.60 0.13 -0.08 -0.53 0.00 0.00 176.83 176.95 1rm1 h GLU 236 N 0.91 0.09 -0.42 2.24 4.81 -0.72 -1.96 114.58 119.53 1rm1 h GLU 236 Ca 0.24 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1rm1 h GLU 236 Cb -0.06 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1rm1 h GLU 236 CO -0.05 0.06 0.02 1.19 -0.73 0.00 0.00 179.01 179.49 1rm1 n PHE 237 N -4.50 1.53 -1.88 0.92 3.01 -0.86 -4.99 117.46 110.69 1rm1 n PHE 237 Ca 0.01 -0.86 -0.41 0.00 1.01 0.00 0.00 57.45 57.20 1rm1 n PHE 237 Cb 0.20 -0.43 -0.01 0.00 -0.01 0.00 0.00 39.48 39.23 1rm1 n PHE 237 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1rm1 s ARG 238 N -2.83 4.18 -0.52 -1.08 3.52 -0.74 -0.90 118.95 120.57 1rm1 s ARG 238 Ca 0.48 2.47 -0.26 0.00 -0.13 0.00 0.00 55.73 58.29 1rm1 s ARG 238 Cb 0.38 -3.03 0.03 0.00 -1.56 0.00 0.00 34.95 30.78 1rm1 s ARG 238 CO 0.12 -0.49 1.02 0.15 -0.81 0.00 0.00 175.30 175.29 1rm1 s LYS 239 N -1.23 3.48 0.00 5.12 1.02 -0.92 -4.80 119.74 122.41 1rm1 s LYS 239 Ca 0.57 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.64 1rm1 s LYS 239 Cb -0.45 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 32.87 1rm1 s LYS 239 CO 0.53 -1.45 0.00 0.00 -0.92 0.00 0.00 175.35 173.51